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= -0.519 X(o=-0.67,f=-0.62) USER MOD Set 1.2: A 68 HIS : no HD1:sc= -0.155 X(o=-0.67,f=-0.37) USER MOD Set 2.1: A 59 SER OG : rot -160:sc= -0.189 USER MOD Set 2.2: A 63 GLN : amide:sc= 0 K(o=-0.19,f=-0.76) USER MOD Set 3.1: A 33 THR OG1 : rot 180:sc= 0.934 USER MOD Set 3.2: A 75 THR OG1 : rot -45:sc= 1.17 USER MOD Set 4.1: A 25 THR OG1 : rot -103:sc= 0.903 USER MOD Set 4.2: A 35 SER OG : rot 71:sc= 1.11 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0379) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0159 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.524 K(o=-0.52,f=-3.1!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.0082) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0806 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 30:sc= 0 USER MOD Single : A 55 SER OG : rot 97:sc= 1.3 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc=0.000272 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0463 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0.657 K(o=0.66,f=-5.2!) USER MOD Single : A 83 THR OG1 : rot 68:sc= 0.211 USER MOD Single : A 85 TYR OH : rot 0:sc= 0.328 USER MOD Single : A 88 MET CE :methyl -153:sc= 0 (180deg=-0.0126) USER MOD Single : A 93 ASN : amide:sc= 0.25 K(o=0.25,f=-10!) USER MOD Single : A 95 GLN : amide:sc= 0.123 X(o=0.12,f=0) USER MOD Single : A 98 SER OG : rot 70:sc= 1.11 USER MOD Single : A 101 SER OG : rot 121:sc= 0.598 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 72:sc= 0.157 USER MOD Single : A 109 THR OG1 : rot -176:sc= 1.71 USER MOD Single : A 110 GLN : amide:sc= 0.731 K(o=0.73,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 177 N LEU A 15 9.375 -0.117 -1.512 1.00 0.00 N ATOM 178 CA LEU A 15 7.991 0.158 -1.890 1.00 0.00 C ATOM 179 C LEU A 15 7.645 1.607 -1.510 1.00 0.00 C ATOM 180 O LEU A 15 8.452 2.273 -0.857 1.00 0.00 O ATOM 181 CB LEU A 15 7.101 -0.918 -1.243 1.00 0.00 C ATOM 182 CG LEU A 15 7.360 -2.307 -1.871 1.00 0.00 C ATOM 183 CD1 LEU A 15 6.711 -3.397 -1.026 1.00 0.00 C ATOM 184 CD2 LEU A 15 6.847 -2.409 -3.317 1.00 0.00 C ATOM 0 HA LEU A 15 7.824 0.094 -2.965 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.295 -0.958 -0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.052 -0.649 -1.367 1.00 0.00 H new ATOM 0 HG LEU A 15 8.441 -2.443 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.901 -4.370 -1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.131 -3.377 -0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.636 -3.225 -0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.055 -3.405 -3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.772 -2.230 -3.335 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.349 -1.665 -3.935 1.00 0.00 H new ATOM 196 N PRO A 16 6.520 2.172 -1.984 1.00 0.00 N ATOM 197 CA PRO A 16 6.079 3.483 -1.530 1.00 0.00 C ATOM 198 C PRO A 16 5.750 3.430 -0.038 1.00 0.00 C ATOM 199 O PRO A 16 5.100 2.479 0.412 1.00 0.00 O ATOM 200 CB PRO A 16 4.828 3.838 -2.344 1.00 0.00 C ATOM 201 CG PRO A 16 4.714 2.762 -3.417 1.00 0.00 C ATOM 202 CD PRO A 16 5.582 1.602 -2.932 1.00 0.00 C ATOM 0 HA PRO A 16 6.856 4.234 -1.673 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.941 3.855 -1.711 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.920 4.828 -2.791 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.678 2.448 -3.548 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.059 3.133 -4.382 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.973 0.830 -2.462 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.106 1.132 -3.765 1.00 0.00 H new ATOM 210 N GLY A 17 6.103 4.489 0.692 1.00 0.00 N ATOM 211 CA GLY A 17 5.563 4.747 2.016 1.00 0.00 C ATOM 212 C GLY A 17 4.033 4.805 1.918 1.00 0.00 C ATOM 213 O GLY A 17 3.512 5.360 0.942 1.00 0.00 O ATOM 0 H GLY A 17 6.773 5.190 0.376 1.00 0.00 H new ATOM 0 HA2 GLY A 17 5.868 3.963 2.708 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.953 5.687 2.407 1.00 0.00 H new ATOM 217 N PRO A 18 3.293 4.224 2.874 1.00 0.00 N ATOM 218 CA PRO A 18 1.859 4.021 2.731 1.00 0.00 C ATOM 219 C PRO A 18 1.078 5.341 2.846 1.00 0.00 C ATOM 220 O PRO A 18 1.515 6.265 3.539 1.00 0.00 O ATOM 221 CB PRO A 18 1.491 3.035 3.843 1.00 0.00 C ATOM 222 CG PRO A 18 2.534 3.308 4.925 1.00 0.00 C ATOM 223 CD PRO A 18 3.782 3.626 4.107 1.00 0.00 C ATOM 0 HA PRO A 18 1.599 3.634 1.746 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.479 3.204 4.210 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.535 2.003 3.495 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.246 4.141 5.566 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.683 2.444 5.573 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.439 4.311 4.643 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.359 2.724 3.904 1.00 0.00 H new ATOM 231 N PRO A 19 -0.115 5.438 2.228 1.00 0.00 N ATOM 232 CA PRO A 19 -1.006 6.563 2.468 1.00 0.00 C ATOM 233 C PRO A 19 -1.524 6.535 3.914 1.00 0.00 C ATOM 234 O PRO A 19 -1.467 5.507 4.603 1.00 0.00 O ATOM 235 CB PRO A 19 -2.131 6.444 1.437 1.00 0.00 C ATOM 236 CG PRO A 19 -2.110 4.983 0.979 1.00 0.00 C ATOM 237 CD PRO A 19 -0.767 4.408 1.431 1.00 0.00 C ATOM 0 HA PRO A 19 -0.499 7.521 2.355 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.094 6.705 1.875 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.969 7.121 0.598 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.938 4.427 1.418 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.218 4.914 -0.103 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.913 3.500 2.017 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.153 4.138 0.572 1.00 0.00 H new ATOM 245 N SER A 20 -2.030 7.675 4.381 1.00 0.00 N ATOM 246 CA SER A 20 -2.669 7.787 5.688 1.00 0.00 C ATOM 247 C SER A 20 -4.094 7.206 5.622 1.00 0.00 C ATOM 248 O SER A 20 -4.565 6.857 4.534 1.00 0.00 O ATOM 249 CB SER A 20 -2.653 9.263 6.103 1.00 0.00 C ATOM 250 OG SER A 20 -1.361 9.835 5.933 1.00 0.00 O ATOM 0 H SER A 20 -2.007 8.551 3.859 1.00 0.00 H new ATOM 0 HA SER A 20 -2.131 7.213 6.442 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.379 9.818 5.509 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.958 9.353 7.145 1.00 0.00 H new ATOM 0 HG SER A 20 -1.382 10.777 6.204 1.00 0.00 H new ATOM 256 N LYS A 21 -4.801 7.103 6.760 1.00 0.00 N ATOM 257 CA LYS A 21 -6.207 6.682 6.766 1.00 0.00 C ATOM 258 C LYS A 21 -7.005 7.545 5.775 1.00 0.00 C ATOM 259 O LYS A 21 -6.981 8.774 5.929 1.00 0.00 O ATOM 260 CB LYS A 21 -6.820 6.834 8.171 1.00 0.00 C ATOM 261 CG LYS A 21 -8.235 6.220 8.250 1.00 0.00 C ATOM 262 CD LYS A 21 -9.077 6.946 9.300 1.00 0.00 C ATOM 263 CE LYS A 21 -10.489 6.379 9.437 1.00 0.00 C ATOM 264 NZ LYS A 21 -11.309 7.214 10.343 1.00 0.00 N ATOM 0 H LYS A 21 -4.420 7.306 7.684 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.252 5.633 6.474 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.173 6.351 8.904 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.867 7.891 8.434 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.721 6.286 7.277 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.165 5.161 8.500 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.573 6.886 10.265 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.140 8.002 9.038 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.961 6.328 8.456 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.440 5.360 9.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.297 6.890 10.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.945 7.133 11.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.262 8.207 10.038 1.00 0.00 H new ATOM 278 N PRO A 22 -7.732 6.963 4.804 1.00 0.00 N ATOM 279 CA PRO A 22 -8.672 7.720 3.997 1.00 0.00 C ATOM 280 C PRO A 22 -9.800 8.247 4.877 1.00 0.00 C ATOM 281 O PRO A 22 -10.363 7.523 5.700 1.00 0.00 O ATOM 282 CB PRO A 22 -9.203 6.767 2.926 1.00 0.00 C ATOM 283 CG PRO A 22 -8.983 5.385 3.535 1.00 0.00 C ATOM 284 CD PRO A 22 -7.781 5.550 4.460 1.00 0.00 C ATOM 0 HA PRO A 22 -8.197 8.583 3.530 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -10.257 6.949 2.714 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -8.665 6.881 1.985 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -9.862 5.052 4.086 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -8.789 4.640 2.764 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.888 4.934 5.353 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.862 5.237 3.965 1.00 0.00 H new ATOM 292 N GLN A 23 -10.142 9.510 4.659 1.00 0.00 N ATOM 293 CA GLN A 23 -11.318 10.153 5.202 1.00 0.00 C ATOM 294 C GLN A 23 -12.447 9.989 4.209 1.00 0.00 C ATOM 295 O GLN A 23 -12.290 10.210 3.004 1.00 0.00 O ATOM 296 CB GLN A 23 -11.048 11.639 5.459 1.00 0.00 C ATOM 297 CG GLN A 23 -10.094 11.795 6.648 1.00 0.00 C ATOM 298 CD GLN A 23 -10.772 12.491 7.821 1.00 0.00 C ATOM 299 OE1 GLN A 23 -10.805 13.716 7.909 1.00 0.00 O ATOM 300 NE2 GLN A 23 -11.388 11.728 8.708 1.00 0.00 N ATOM 0 H GLN A 23 -9.583 10.133 4.076 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.586 9.694 6.154 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -10.615 12.098 4.571 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -11.985 12.158 5.662 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.739 10.813 6.962 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.219 12.367 6.341 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.351 10.712 8.620 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -11.900 12.155 9.480 1.00 0.00 H new ATOM 309 N VAL A 24 -13.594 9.619 4.746 1.00 0.00 N ATOM 310 CA VAL A 24 -14.853 9.665 4.020 1.00 0.00 C ATOM 311 C VAL A 24 -15.201 11.140 3.796 1.00 0.00 C ATOM 312 O VAL A 24 -14.959 11.967 4.681 1.00 0.00 O ATOM 313 CB VAL A 24 -15.914 8.912 4.843 1.00 0.00 C ATOM 314 CG1 VAL A 24 -17.335 9.099 4.298 1.00 0.00 C ATOM 315 CG2 VAL A 24 -15.578 7.410 4.873 1.00 0.00 C ATOM 0 H VAL A 24 -13.681 9.276 5.703 1.00 0.00 H new ATOM 0 HA VAL A 24 -14.798 9.180 3.046 1.00 0.00 H new ATOM 0 HB VAL A 24 -15.892 9.333 5.848 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -18.039 8.545 4.919 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -17.594 10.158 4.312 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -17.384 8.727 3.274 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -16.331 6.880 5.456 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -15.566 7.019 3.855 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -14.598 7.265 5.328 1.00 0.00 H new ATOM 325 N THR A 25 -15.786 11.466 2.645 1.00 0.00 N ATOM 326 CA THR A 25 -16.425 12.753 2.410 1.00 0.00 C ATOM 327 C THR A 25 -17.852 12.505 1.896 1.00 0.00 C ATOM 328 O THR A 25 -18.739 12.238 2.706 1.00 0.00 O ATOM 329 CB THR A 25 -15.525 13.656 1.538 1.00 0.00 C ATOM 330 OG1 THR A 25 -15.023 12.975 0.395 1.00 0.00 O ATOM 331 CG2 THR A 25 -14.328 14.201 2.325 1.00 0.00 C ATOM 0 H THR A 25 -15.828 10.836 1.844 1.00 0.00 H new ATOM 0 HA THR A 25 -16.541 13.327 3.329 1.00 0.00 H new ATOM 0 HB THR A 25 -16.165 14.478 1.219 1.00 0.00 H new ATOM 0 HG1 THR A 25 -14.088 12.723 0.548 1.00 0.00 H new ATOM 0 HG21 THR A 25 -13.721 14.831 1.674 1.00 0.00 H new ATOM 0 HG22 THR A 25 -14.686 14.790 3.170 1.00 0.00 H new ATOM 0 HG23 THR A 25 -13.725 13.370 2.691 1.00 0.00 H new ATOM 339 N ASP A 26 -18.078 12.547 0.583 1.00 0.00 N ATOM 340 CA ASP A 26 -19.373 12.397 -0.070 1.00 0.00 C ATOM 341 C ASP A 26 -19.910 10.996 0.200 1.00 0.00 C ATOM 342 O ASP A 26 -19.149 10.041 0.076 1.00 0.00 O ATOM 343 CB ASP A 26 -19.181 12.621 -1.573 1.00 0.00 C ATOM 344 CG ASP A 26 -20.460 12.835 -2.381 1.00 0.00 C ATOM 345 OD1 ASP A 26 -21.399 12.004 -2.328 1.00 0.00 O ATOM 346 OD2 ASP A 26 -20.484 13.816 -3.163 1.00 0.00 O ATOM 0 H ASP A 26 -17.322 12.694 -0.086 1.00 0.00 H new ATOM 0 HA ASP A 26 -20.089 13.122 0.316 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -18.536 13.488 -1.713 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -18.653 11.761 -1.985 1.00 0.00 H new ATOM 351 N VAL A 27 -21.186 10.838 0.540 1.00 0.00 N ATOM 352 CA VAL A 27 -21.834 9.523 0.572 1.00 0.00 C ATOM 353 C VAL A 27 -23.241 9.603 -0.007 1.00 0.00 C ATOM 354 O VAL A 27 -23.941 10.606 0.136 1.00 0.00 O ATOM 355 CB VAL A 27 -21.774 8.889 1.984 1.00 0.00 C ATOM 356 CG1 VAL A 27 -22.624 9.604 3.037 1.00 0.00 C ATOM 357 CG2 VAL A 27 -22.244 7.425 1.996 1.00 0.00 C ATOM 0 H VAL A 27 -21.800 11.610 0.800 1.00 0.00 H new ATOM 0 HA VAL A 27 -21.276 8.842 -0.071 1.00 0.00 H new ATOM 0 HB VAL A 27 -20.718 8.978 2.237 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -22.522 9.093 3.995 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -22.286 10.635 3.138 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -23.670 9.593 2.729 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -22.181 7.031 3.010 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -23.276 7.371 1.649 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -21.609 6.833 1.337 1.00 0.00 H new ATOM 367 N THR A 28 -23.677 8.513 -0.632 1.00 0.00 N ATOM 368 CA THR A 28 -24.998 8.348 -1.233 1.00 0.00 C ATOM 369 C THR A 28 -25.539 6.951 -0.907 1.00 0.00 C ATOM 370 O THR A 28 -24.991 6.239 -0.058 1.00 0.00 O ATOM 371 CB THR A 28 -24.915 8.616 -2.749 1.00 0.00 C ATOM 372 OG1 THR A 28 -23.816 7.941 -3.318 1.00 0.00 O ATOM 373 CG2 THR A 28 -24.796 10.104 -3.055 1.00 0.00 C ATOM 0 H THR A 28 -23.093 7.683 -0.738 1.00 0.00 H new ATOM 0 HA THR A 28 -25.699 9.071 -0.817 1.00 0.00 H new ATOM 0 HB THR A 28 -25.841 8.243 -3.186 1.00 0.00 H new ATOM 0 HG1 THR A 28 -23.783 8.123 -4.280 1.00 0.00 H new ATOM 0 HG21 THR A 28 -24.740 10.250 -4.134 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.668 10.627 -2.663 1.00 0.00 H new ATOM 0 HG23 THR A 28 -23.895 10.501 -2.588 1.00 0.00 H new ATOM 381 N LYS A 29 -26.641 6.553 -1.551 1.00 0.00 N ATOM 382 CA LYS A 29 -27.212 5.221 -1.416 1.00 0.00 C ATOM 383 C LYS A 29 -26.198 4.138 -1.795 1.00 0.00 C ATOM 384 O LYS A 29 -26.121 3.138 -1.096 1.00 0.00 O ATOM 385 CB LYS A 29 -28.545 5.134 -2.191 1.00 0.00 C ATOM 386 CG LYS A 29 -28.449 4.859 -3.695 1.00 0.00 C ATOM 387 CD LYS A 29 -29.675 5.379 -4.457 1.00 0.00 C ATOM 388 CE LYS A 29 -29.692 4.805 -5.876 1.00 0.00 C ATOM 389 NZ LYS A 29 -30.807 5.347 -6.676 1.00 0.00 N ATOM 0 H LYS A 29 -27.163 7.157 -2.186 1.00 0.00 H new ATOM 0 HA LYS A 29 -27.450 5.033 -0.369 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -29.151 4.348 -1.739 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -29.083 6.072 -2.050 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -27.550 5.329 -4.092 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -28.348 3.787 -3.861 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -30.587 5.097 -3.931 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -29.654 6.468 -4.497 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -28.747 5.031 -6.370 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -29.774 3.719 -5.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -30.783 4.933 -7.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -31.710 5.110 -6.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -30.715 6.381 -6.744 1.00 0.00 H new ATOM 403 N ASN A 30 -25.405 4.325 -2.862 1.00 0.00 N ATOM 404 CA ASN A 30 -24.574 3.258 -3.432 1.00 0.00 C ATOM 405 C ASN A 30 -23.163 3.740 -3.786 1.00 0.00 C ATOM 406 O ASN A 30 -22.442 3.028 -4.492 1.00 0.00 O ATOM 407 CB ASN A 30 -25.247 2.611 -4.662 1.00 0.00 C ATOM 408 CG ASN A 30 -26.526 1.851 -4.338 1.00 0.00 C ATOM 409 OD1 ASN A 30 -26.717 1.325 -3.253 1.00 0.00 O ATOM 410 ND2 ASN A 30 -27.458 1.812 -5.268 1.00 0.00 N ATOM 0 H ASN A 30 -25.323 5.217 -3.350 1.00 0.00 H new ATOM 0 HA ASN A 30 -24.475 2.501 -2.654 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -25.473 3.389 -5.391 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -24.540 1.928 -5.133 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -28.344 1.341 -5.083 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -27.294 2.253 -6.173 1.00 0.00 H new ATOM 417 N SER A 31 -22.741 4.925 -3.336 1.00 0.00 N ATOM 418 CA SER A 31 -21.397 5.433 -3.589 1.00 0.00 C ATOM 419 C SER A 31 -20.865 6.172 -2.354 1.00 0.00 C ATOM 420 O SER A 31 -21.657 6.634 -1.529 1.00 0.00 O ATOM 421 CB SER A 31 -21.403 6.357 -4.820 1.00 0.00 C ATOM 422 OG SER A 31 -22.313 5.961 -5.845 1.00 0.00 O ATOM 0 H SER A 31 -23.324 5.556 -2.787 1.00 0.00 H new ATOM 0 HA SER A 31 -20.734 4.592 -3.794 1.00 0.00 H new ATOM 0 HB2 SER A 31 -21.652 7.369 -4.500 1.00 0.00 H new ATOM 0 HB3 SER A 31 -20.397 6.394 -5.238 1.00 0.00 H new ATOM 0 HG SER A 31 -22.262 6.595 -6.591 1.00 0.00 H new ATOM 428 N VAL A 32 -19.543 6.313 -2.233 1.00 0.00 N ATOM 429 CA VAL A 32 -18.891 7.126 -1.207 1.00 0.00 C ATOM 430 C VAL A 32 -17.543 7.619 -1.750 1.00 0.00 C ATOM 431 O VAL A 32 -16.808 6.833 -2.345 1.00 0.00 O ATOM 432 CB VAL A 32 -18.792 6.352 0.135 1.00 0.00 C ATOM 433 CG1 VAL A 32 -18.219 4.939 0.080 1.00 0.00 C ATOM 434 CG2 VAL A 32 -17.974 7.093 1.189 1.00 0.00 C ATOM 0 H VAL A 32 -18.882 5.854 -2.860 1.00 0.00 H new ATOM 0 HA VAL A 32 -19.488 8.008 -0.977 1.00 0.00 H new ATOM 0 HB VAL A 32 -19.848 6.280 0.396 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -18.206 4.512 1.083 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -18.838 4.320 -0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -17.203 4.973 -0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -17.941 6.503 2.105 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -16.960 7.248 0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -18.436 8.058 1.396 1.00 0.00 H new ATOM 444 N THR A 33 -17.218 8.901 -1.579 1.00 0.00 N ATOM 445 CA THR A 33 -15.907 9.456 -1.890 1.00 0.00 C ATOM 446 C THR A 33 -14.986 9.255 -0.691 1.00 0.00 C ATOM 447 O THR A 33 -15.330 9.566 0.453 1.00 0.00 O ATOM 448 CB THR A 33 -15.999 10.922 -2.351 1.00 0.00 C ATOM 449 OG1 THR A 33 -16.840 10.971 -3.493 1.00 0.00 O ATOM 450 CG2 THR A 33 -14.641 11.489 -2.783 1.00 0.00 C ATOM 0 H THR A 33 -17.873 9.592 -1.214 1.00 0.00 H new ATOM 0 HA THR A 33 -15.476 8.924 -2.738 1.00 0.00 H new ATOM 0 HB THR A 33 -16.375 11.507 -1.511 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.915 11.897 -3.804 1.00 0.00 H new ATOM 0 HG21 THR A 33 -14.763 12.525 -3.098 1.00 0.00 H new ATOM 0 HG22 THR A 33 -13.945 11.444 -1.945 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.248 10.901 -3.613 1.00 0.00 H new ATOM 458 N LEU A 34 -13.806 8.718 -0.982 1.00 0.00 N ATOM 459 CA LEU A 34 -12.705 8.526 -0.057 1.00 0.00 C ATOM 460 C LEU A 34 -11.612 9.498 -0.431 1.00 0.00 C ATOM 461 O LEU A 34 -11.418 9.777 -1.614 1.00 0.00 O ATOM 462 CB LEU A 34 -12.180 7.098 -0.194 1.00 0.00 C ATOM 463 CG LEU A 34 -13.159 6.076 0.383 1.00 0.00 C ATOM 464 CD1 LEU A 34 -12.852 4.695 -0.181 1.00 0.00 C ATOM 465 CD2 LEU A 34 -13.067 6.060 1.908 1.00 0.00 C ATOM 0 H LEU A 34 -13.584 8.389 -1.922 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.030 8.693 0.970 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -12.001 6.876 -1.246 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.221 7.012 0.318 1.00 0.00 H new ATOM 0 HG LEU A 34 -14.174 6.356 0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -13.552 3.969 0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -12.950 4.715 -1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.834 4.411 0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.769 5.328 2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -12.054 5.793 2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.312 7.048 2.298 1.00 0.00 H new ATOM 477 N SER A 35 -10.903 9.976 0.587 1.00 0.00 N ATOM 478 CA SER A 35 -10.057 11.149 0.505 1.00 0.00 C ATOM 479 C SER A 35 -8.842 10.916 1.394 1.00 0.00 C ATOM 480 O SER A 35 -8.968 10.983 2.616 1.00 0.00 O ATOM 481 CB SER A 35 -10.884 12.392 0.916 1.00 0.00 C ATOM 482 OG SER A 35 -12.295 12.217 0.800 1.00 0.00 O ATOM 0 H SER A 35 -10.905 9.544 1.511 1.00 0.00 H new ATOM 0 HA SER A 35 -9.698 11.328 -0.509 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.644 12.650 1.948 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.581 13.237 0.298 1.00 0.00 H new ATOM 0 HG SER A 35 -12.607 11.604 1.498 1.00 0.00 H new ATOM 488 N TRP A 36 -7.684 10.580 0.831 1.00 0.00 N ATOM 489 CA TRP A 36 -6.495 10.236 1.616 1.00 0.00 C ATOM 490 C TRP A 36 -5.348 11.184 1.310 1.00 0.00 C ATOM 491 O TRP A 36 -5.305 11.812 0.250 1.00 0.00 O ATOM 492 CB TRP A 36 -6.069 8.781 1.387 1.00 0.00 C ATOM 493 CG TRP A 36 -5.891 8.387 -0.043 1.00 0.00 C ATOM 494 CD1 TRP A 36 -4.716 8.374 -0.712 1.00 0.00 C ATOM 495 CD2 TRP A 36 -6.918 8.028 -1.014 1.00 0.00 C ATOM 496 NE1 TRP A 36 -4.940 8.020 -2.026 1.00 0.00 N ATOM 497 CE2 TRP A 36 -6.275 7.780 -2.261 1.00 0.00 C ATOM 498 CE3 TRP A 36 -8.327 7.913 -0.980 1.00 0.00 C ATOM 499 CZ2 TRP A 36 -6.993 7.434 -3.410 1.00 0.00 C ATOM 500 CZ3 TRP A 36 -9.060 7.623 -2.144 1.00 0.00 C ATOM 501 CH2 TRP A 36 -8.391 7.392 -3.358 1.00 0.00 C ATOM 0 H TRP A 36 -7.541 10.538 -0.178 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.758 10.343 2.668 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -5.131 8.607 1.914 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -6.815 8.126 1.837 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.752 8.605 -0.284 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -4.209 7.945 -2.734 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -8.849 8.050 -0.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.474 7.202 -4.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -10.138 7.578 -2.105 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -8.957 7.181 -4.253 1.00 0.00 H new ATOM 512 N GLN A 37 -4.396 11.265 2.233 1.00 0.00 N ATOM 513 CA GLN A 37 -3.094 11.843 2.001 1.00 0.00 C ATOM 514 C GLN A 37 -2.254 10.753 1.325 1.00 0.00 C ATOM 515 O GLN A 37 -2.265 9.596 1.773 1.00 0.00 O ATOM 516 CB GLN A 37 -2.430 12.242 3.320 1.00 0.00 C ATOM 517 CG GLN A 37 -3.203 13.306 4.117 1.00 0.00 C ATOM 518 CD GLN A 37 -2.559 14.680 3.985 1.00 0.00 C ATOM 519 OE1 GLN A 37 -1.463 14.900 4.494 1.00 0.00 O ATOM 520 NE2 GLN A 37 -3.203 15.630 3.330 1.00 0.00 N ATOM 0 H GLN A 37 -4.520 10.919 3.185 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.178 12.740 1.387 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.314 11.353 3.940 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.428 12.617 3.111 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.233 13.350 3.763 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.239 13.020 5.168 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.113 15.434 2.912 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.790 16.559 3.243 1.00 0.00 H new ATOM 529 N PRO A 38 -1.519 11.109 0.270 1.00 0.00 N ATOM 530 CA PRO A 38 -0.533 10.251 -0.353 1.00 0.00 C ATOM 531 C PRO A 38 0.680 10.119 0.584 1.00 0.00 C ATOM 532 O PRO A 38 0.896 10.973 1.450 1.00 0.00 O ATOM 533 CB PRO A 38 -0.206 10.978 -1.659 1.00 0.00 C ATOM 534 CG PRO A 38 -0.369 12.461 -1.311 1.00 0.00 C ATOM 535 CD PRO A 38 -1.439 12.456 -0.231 1.00 0.00 C ATOM 0 HA PRO A 38 -0.867 9.231 -0.546 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.807 10.756 -1.996 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.881 10.680 -2.461 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.564 12.893 -0.950 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.677 13.045 -2.178 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.184 13.151 0.569 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.399 12.775 -0.637 1.00 0.00 H new ATOM 543 N GLY A 39 1.466 9.057 0.424 1.00 0.00 N ATOM 544 CA GLY A 39 2.678 8.802 1.183 1.00 0.00 C ATOM 545 C GLY A 39 3.921 9.266 0.431 1.00 0.00 C ATOM 546 O GLY A 39 3.842 9.854 -0.651 1.00 0.00 O ATOM 0 H GLY A 39 1.266 8.329 -0.262 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.621 9.314 2.143 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.757 7.736 1.395 1.00 0.00 H new ATOM 550 N THR A 40 5.078 9.005 1.027 1.00 0.00 N ATOM 551 CA THR A 40 6.384 9.324 0.486 1.00 0.00 C ATOM 552 C THR A 40 6.805 8.247 -0.538 1.00 0.00 C ATOM 553 O THR A 40 6.383 7.090 -0.436 1.00 0.00 O ATOM 554 CB THR A 40 7.359 9.504 1.674 1.00 0.00 C ATOM 555 OG1 THR A 40 7.396 10.871 2.053 1.00 0.00 O ATOM 556 CG2 THR A 40 8.803 9.067 1.453 1.00 0.00 C ATOM 0 H THR A 40 5.129 8.547 1.937 1.00 0.00 H new ATOM 0 HA THR A 40 6.382 10.260 -0.073 1.00 0.00 H new ATOM 0 HB THR A 40 6.953 8.841 2.438 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.012 10.985 2.807 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.380 9.246 2.360 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.829 8.005 1.210 1.00 0.00 H new ATOM 0 HG23 THR A 40 9.234 9.638 0.630 1.00 0.00 H new ATOM 564 N PRO A 41 7.613 8.631 -1.539 1.00 0.00 N ATOM 565 CA PRO A 41 8.293 7.730 -2.466 1.00 0.00 C ATOM 566 C PRO A 41 9.498 7.020 -1.822 1.00 0.00 C ATOM 567 O PRO A 41 9.683 7.058 -0.609 1.00 0.00 O ATOM 568 CB PRO A 41 8.709 8.631 -3.633 1.00 0.00 C ATOM 569 CG PRO A 41 8.873 10.013 -3.018 1.00 0.00 C ATOM 570 CD PRO A 41 7.858 10.022 -1.888 1.00 0.00 C ATOM 0 HA PRO A 41 7.646 6.913 -2.786 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.639 8.287 -4.086 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.953 8.635 -4.419 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.886 10.170 -2.648 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.673 10.801 -3.744 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.239 10.576 -1.030 1.00 0.00 H new ATOM 0 HD3 PRO A 41 6.935 10.512 -2.200 1.00 0.00 H new ATOM 578 N GLY A 42 10.341 6.373 -2.629 1.00 0.00 N ATOM 579 CA GLY A 42 11.620 5.863 -2.176 1.00 0.00 C ATOM 580 C GLY A 42 12.542 5.616 -3.362 1.00 0.00 C ATOM 581 O GLY A 42 13.002 6.554 -4.016 1.00 0.00 O ATOM 0 H GLY A 42 10.149 6.192 -3.614 1.00 0.00 H new ATOM 0 HA2 GLY A 42 12.081 6.575 -1.491 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.474 4.936 -1.622 1.00 0.00 H new ATOM 585 N THR A 43 12.793 4.350 -3.659 1.00 0.00 N ATOM 586 CA THR A 43 13.647 3.853 -4.721 1.00 0.00 C ATOM 587 C THR A 43 13.069 4.183 -6.092 1.00 0.00 C ATOM 588 O THR A 43 13.801 4.591 -6.998 1.00 0.00 O ATOM 589 CB THR A 43 13.736 2.330 -4.511 1.00 0.00 C ATOM 590 OG1 THR A 43 12.462 1.835 -4.169 1.00 0.00 O ATOM 591 CG2 THR A 43 14.716 1.993 -3.400 1.00 0.00 C ATOM 0 H THR A 43 12.373 3.590 -3.124 1.00 0.00 H new ATOM 0 HA THR A 43 14.632 4.318 -4.687 1.00 0.00 H new ATOM 0 HB THR A 43 14.086 1.871 -5.436 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.513 0.865 -4.036 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.761 0.912 -3.271 1.00 0.00 H new ATOM 0 HG22 THR A 43 15.705 2.369 -3.661 1.00 0.00 H new ATOM 0 HG23 THR A 43 14.385 2.456 -2.470 1.00 0.00 H new ATOM 599 N LEU A 44 11.771 3.943 -6.268 1.00 0.00 N ATOM 600 CA LEU A 44 11.122 3.877 -7.568 1.00 0.00 C ATOM 601 C LEU A 44 9.903 4.787 -7.582 1.00 0.00 C ATOM 602 O LEU A 44 9.424 5.199 -6.519 1.00 0.00 O ATOM 603 CB LEU A 44 10.739 2.414 -7.857 1.00 0.00 C ATOM 604 CG LEU A 44 11.933 1.531 -8.256 1.00 0.00 C ATOM 605 CD1 LEU A 44 11.458 0.094 -8.432 1.00 0.00 C ATOM 606 CD2 LEU A 44 12.571 1.979 -9.576 1.00 0.00 C ATOM 0 H LEU A 44 11.130 3.786 -5.490 1.00 0.00 H new ATOM 0 HA LEU A 44 11.799 4.221 -8.350 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.264 1.990 -6.972 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.999 2.392 -8.657 1.00 0.00 H new ATOM 0 HG LEU A 44 12.676 1.616 -7.463 1.00 0.00 H new ATOM 0 HD11 LEU A 44 12.301 -0.536 -8.715 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.034 -0.267 -7.495 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.698 0.055 -9.212 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.409 1.325 -9.815 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.831 1.927 -10.374 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.927 3.005 -9.478 1.00 0.00 H new ATOM 618 N PRO A 45 9.396 5.138 -8.768 1.00 0.00 N ATOM 619 CA PRO A 45 8.205 5.945 -8.886 1.00 0.00 C ATOM 620 C PRO A 45 7.001 5.061 -8.587 1.00 0.00 C ATOM 621 O PRO A 45 6.970 3.871 -8.910 1.00 0.00 O ATOM 622 CB PRO A 45 8.242 6.475 -10.322 1.00 0.00 C ATOM 623 CG PRO A 45 8.907 5.336 -11.091 1.00 0.00 C ATOM 624 CD PRO A 45 9.873 4.731 -10.081 1.00 0.00 C ATOM 0 HA PRO A 45 8.143 6.782 -8.190 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.242 6.687 -10.700 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.814 7.400 -10.396 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.176 4.604 -11.433 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.430 5.702 -11.975 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.896 3.645 -10.167 1.00 0.00 H new ATOM 0 HD3 PRO A 45 10.889 5.086 -10.253 1.00 0.00 H new ATOM 632 N ALA A 46 6.003 5.669 -7.963 1.00 0.00 N ATOM 633 CA ALA A 46 4.668 5.115 -7.896 1.00 0.00 C ATOM 634 C ALA A 46 4.108 5.072 -9.317 1.00 0.00 C ATOM 635 O ALA A 46 4.552 5.788 -10.222 1.00 0.00 O ATOM 636 CB ALA A 46 3.852 5.992 -6.957 1.00 0.00 C ATOM 0 H ALA A 46 6.102 6.566 -7.487 1.00 0.00 H new ATOM 0 HA ALA A 46 4.646 4.098 -7.504 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.837 5.601 -6.884 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.312 5.994 -5.969 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.821 7.010 -7.345 1.00 0.00 H new ATOM 642 N SER A 47 3.122 4.214 -9.503 1.00 0.00 N ATOM 643 CA SER A 47 2.583 3.870 -10.800 1.00 0.00 C ATOM 644 C SER A 47 1.084 4.154 -10.809 1.00 0.00 C ATOM 645 O SER A 47 0.610 4.798 -11.743 1.00 0.00 O ATOM 646 CB SER A 47 2.949 2.410 -11.098 1.00 0.00 C ATOM 647 OG SER A 47 4.134 2.302 -11.865 1.00 0.00 O ATOM 0 H SER A 47 2.664 3.726 -8.734 1.00 0.00 H new ATOM 0 HA SER A 47 3.009 4.476 -11.600 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.075 1.870 -10.160 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.127 1.933 -11.632 1.00 0.00 H new ATOM 0 HG SER A 47 4.332 1.356 -12.030 1.00 0.00 H new ATOM 653 N ALA A 48 0.332 3.715 -9.794 1.00 0.00 N ATOM 654 CA ALA A 48 -1.085 4.055 -9.609 1.00 0.00 C ATOM 655 C ALA A 48 -1.471 3.653 -8.183 1.00 0.00 C ATOM 656 O ALA A 48 -0.591 3.387 -7.370 1.00 0.00 O ATOM 657 CB ALA A 48 -1.971 3.372 -10.668 1.00 0.00 C ATOM 0 H ALA A 48 0.697 3.102 -9.064 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.242 5.125 -9.744 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.013 3.645 -10.502 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.665 3.697 -11.663 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.863 2.290 -10.590 1.00 0.00 H new ATOM 663 N TYR A 49 -2.759 3.600 -7.854 1.00 0.00 N ATOM 664 CA TYR A 49 -3.301 3.207 -6.557 1.00 0.00 C ATOM 665 C TYR A 49 -4.377 2.127 -6.764 1.00 0.00 C ATOM 666 O TYR A 49 -4.924 1.980 -7.862 1.00 0.00 O ATOM 667 CB TYR A 49 -3.875 4.447 -5.833 1.00 0.00 C ATOM 668 CG TYR A 49 -2.890 5.312 -5.049 1.00 0.00 C ATOM 669 CD1 TYR A 49 -1.746 5.894 -5.636 1.00 0.00 C ATOM 670 CD2 TYR A 49 -3.181 5.608 -3.707 1.00 0.00 C ATOM 671 CE1 TYR A 49 -0.879 6.703 -4.876 1.00 0.00 C ATOM 672 CE2 TYR A 49 -2.331 6.417 -2.936 1.00 0.00 C ATOM 673 CZ TYR A 49 -1.172 6.961 -3.518 1.00 0.00 C ATOM 674 OH TYR A 49 -0.370 7.741 -2.748 1.00 0.00 O ATOM 0 H TYR A 49 -3.491 3.843 -8.521 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.512 2.790 -5.931 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.362 5.078 -6.577 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.650 4.109 -5.145 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.533 5.717 -6.680 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.077 5.205 -3.259 1.00 0.00 H new ATOM 0 HE1 TYR A 49 0.006 7.124 -5.329 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.566 6.620 -1.902 1.00 0.00 H new ATOM 0 HH TYR A 49 0.069 8.414 -3.309 1.00 0.00 H new ATOM 684 N ILE A 50 -4.710 1.399 -5.700 1.00 0.00 N ATOM 685 CA ILE A 50 -5.780 0.415 -5.565 1.00 0.00 C ATOM 686 C ILE A 50 -6.603 0.824 -4.338 1.00 0.00 C ATOM 687 O ILE A 50 -6.068 1.445 -3.417 1.00 0.00 O ATOM 688 CB ILE A 50 -5.167 -1.008 -5.440 1.00 0.00 C ATOM 689 CG1 ILE A 50 -4.882 -1.595 -6.835 1.00 0.00 C ATOM 690 CG2 ILE A 50 -6.024 -1.968 -4.610 1.00 0.00 C ATOM 691 CD1 ILE A 50 -4.006 -2.852 -6.785 1.00 0.00 C ATOM 0 H ILE A 50 -4.188 1.493 -4.829 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.433 0.387 -6.437 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.228 -0.895 -4.898 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -5.827 -1.836 -7.322 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.390 -0.840 -7.448 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.538 -2.942 -4.564 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.141 -1.572 -3.601 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.005 -2.074 -5.074 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.839 -3.220 -7.797 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.048 -2.610 -6.325 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.507 -3.621 -6.197 1.00 0.00 H new ATOM 703 N ILE A 51 -7.891 0.467 -4.337 1.00 0.00 N ATOM 704 CA ILE A 51 -8.885 0.749 -3.309 1.00 0.00 C ATOM 705 C ILE A 51 -9.673 -0.556 -3.168 1.00 0.00 C ATOM 706 O ILE A 51 -10.461 -0.903 -4.051 1.00 0.00 O ATOM 707 CB ILE A 51 -9.732 1.972 -3.756 1.00 0.00 C ATOM 708 CG1 ILE A 51 -8.829 3.224 -3.760 1.00 0.00 C ATOM 709 CG2 ILE A 51 -10.997 2.300 -2.932 1.00 0.00 C ATOM 710 CD1 ILE A 51 -9.507 4.441 -4.368 1.00 0.00 C ATOM 0 H ILE A 51 -8.290 -0.064 -5.111 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.477 1.028 -2.337 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.106 1.688 -4.740 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.531 3.454 -2.737 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.917 3.006 -4.317 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -11.490 3.175 -3.355 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.679 1.451 -2.959 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -10.715 2.506 -1.899 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.823 5.289 -4.343 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.781 4.227 -5.401 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.404 4.681 -3.797 1.00 0.00 H new ATOM 722 N GLU A 52 -9.439 -1.306 -2.090 1.00 0.00 N ATOM 723 CA GLU A 52 -10.154 -2.538 -1.761 1.00 0.00 C ATOM 724 C GLU A 52 -11.194 -2.230 -0.696 1.00 0.00 C ATOM 725 O GLU A 52 -10.875 -1.507 0.237 1.00 0.00 O ATOM 726 CB GLU A 52 -9.197 -3.632 -1.254 1.00 0.00 C ATOM 727 CG GLU A 52 -8.138 -3.911 -2.316 1.00 0.00 C ATOM 728 CD GLU A 52 -7.297 -5.172 -2.117 1.00 0.00 C ATOM 729 OE1 GLU A 52 -7.808 -6.194 -1.610 1.00 0.00 O ATOM 730 OE2 GLU A 52 -6.134 -5.180 -2.586 1.00 0.00 O ATOM 0 H GLU A 52 -8.725 -1.065 -1.402 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.633 -2.914 -2.665 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.722 -3.314 -0.326 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.753 -4.543 -1.031 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.634 -3.979 -3.284 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.465 -3.055 -2.362 1.00 0.00 H new ATOM 737 N ALA A 53 -12.413 -2.745 -0.803 1.00 0.00 N ATOM 738 CA ALA A 53 -13.465 -2.619 0.198 1.00 0.00 C ATOM 739 C ALA A 53 -13.715 -3.980 0.839 1.00 0.00 C ATOM 740 O ALA A 53 -13.356 -5.012 0.270 1.00 0.00 O ATOM 741 CB ALA A 53 -14.751 -2.155 -0.497 1.00 0.00 C ATOM 0 H ALA A 53 -12.707 -3.281 -1.619 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.167 -1.901 0.962 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -15.548 -2.056 0.240 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.578 -1.191 -0.976 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -15.042 -2.887 -1.250 1.00 0.00 H new ATOM 747 N PHE A 54 -14.416 -3.988 1.967 1.00 0.00 N ATOM 748 CA PHE A 54 -14.932 -5.183 2.615 1.00 0.00 C ATOM 749 C PHE A 54 -16.346 -4.882 3.091 1.00 0.00 C ATOM 750 O PHE A 54 -16.611 -3.775 3.562 1.00 0.00 O ATOM 751 CB PHE A 54 -14.000 -5.581 3.771 1.00 0.00 C ATOM 752 CG PHE A 54 -14.554 -6.575 4.779 1.00 0.00 C ATOM 753 CD1 PHE A 54 -15.460 -6.143 5.768 1.00 0.00 C ATOM 754 CD2 PHE A 54 -14.126 -7.917 4.772 1.00 0.00 C ATOM 755 CE1 PHE A 54 -15.929 -7.031 6.748 1.00 0.00 C ATOM 756 CE2 PHE A 54 -14.581 -8.803 5.766 1.00 0.00 C ATOM 757 CZ PHE A 54 -15.476 -8.361 6.755 1.00 0.00 C ATOM 0 H PHE A 54 -14.647 -3.132 2.471 1.00 0.00 H new ATOM 0 HA PHE A 54 -14.968 -6.028 1.927 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -13.088 -6.000 3.345 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.715 -4.675 4.306 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -15.797 -5.117 5.772 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.450 -8.265 4.005 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -16.634 -6.694 7.493 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.241 -9.828 5.769 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.816 -9.043 7.520 1.00 0.00 H new ATOM 767 N SER A 55 -17.230 -5.877 3.049 1.00 0.00 N ATOM 768 CA SER A 55 -18.489 -5.883 3.771 1.00 0.00 C ATOM 769 C SER A 55 -18.876 -7.332 3.990 1.00 0.00 C ATOM 770 O SER A 55 -19.087 -8.073 3.027 1.00 0.00 O ATOM 771 CB SER A 55 -19.578 -5.225 2.938 1.00 0.00 C ATOM 772 OG SER A 55 -20.712 -4.944 3.732 1.00 0.00 O ATOM 0 H SER A 55 -17.081 -6.721 2.496 1.00 0.00 H new ATOM 0 HA SER A 55 -18.381 -5.341 4.711 1.00 0.00 H new ATOM 0 HB2 SER A 55 -19.199 -4.303 2.497 1.00 0.00 H new ATOM 0 HB3 SER A 55 -19.858 -5.881 2.114 1.00 0.00 H new ATOM 0 HG SER A 55 -20.681 -4.010 4.028 1.00 0.00 H new ATOM 778 N GLN A 56 -19.008 -7.744 5.244 1.00 0.00 N ATOM 779 CA GLN A 56 -19.242 -9.144 5.541 1.00 0.00 C ATOM 780 C GLN A 56 -20.595 -9.676 5.051 1.00 0.00 C ATOM 781 O GLN A 56 -20.755 -10.888 4.939 1.00 0.00 O ATOM 782 CB GLN A 56 -19.073 -9.402 7.043 1.00 0.00 C ATOM 783 CG GLN A 56 -20.053 -8.574 7.883 1.00 0.00 C ATOM 784 CD GLN A 56 -20.022 -8.906 9.373 1.00 0.00 C ATOM 785 OE1 GLN A 56 -19.934 -10.060 9.786 1.00 0.00 O ATOM 786 NE2 GLN A 56 -20.151 -7.907 10.223 1.00 0.00 N ATOM 0 H GLN A 56 -18.957 -7.135 6.060 1.00 0.00 H new ATOM 0 HA GLN A 56 -18.490 -9.699 4.980 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -19.226 -10.462 7.248 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -18.051 -9.164 7.339 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -19.826 -7.516 7.751 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -21.063 -8.732 7.506 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -20.224 -6.950 9.878 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -20.178 -8.091 11.226 1.00 0.00 H new ATOM 795 N SER A 57 -21.566 -8.802 4.771 1.00 0.00 N ATOM 796 CA SER A 57 -22.863 -9.173 4.199 1.00 0.00 C ATOM 797 C SER A 57 -22.845 -9.082 2.660 1.00 0.00 C ATOM 798 O SER A 57 -23.896 -9.097 2.019 1.00 0.00 O ATOM 799 CB SER A 57 -23.976 -8.323 4.833 1.00 0.00 C ATOM 800 OG SER A 57 -25.164 -9.080 4.983 1.00 0.00 O ATOM 0 H SER A 57 -21.471 -7.800 4.938 1.00 0.00 H new ATOM 0 HA SER A 57 -23.071 -10.217 4.435 1.00 0.00 H new ATOM 0 HB2 SER A 57 -23.649 -7.955 5.805 1.00 0.00 H new ATOM 0 HB3 SER A 57 -24.172 -7.450 4.211 1.00 0.00 H new ATOM 0 HG SER A 57 -25.859 -8.521 5.389 1.00 0.00 H new ATOM 806 N VAL A 58 -21.663 -8.954 2.047 1.00 0.00 N ATOM 807 CA VAL A 58 -21.483 -8.955 0.603 1.00 0.00 C ATOM 808 C VAL A 58 -20.478 -10.061 0.284 1.00 0.00 C ATOM 809 O VAL A 58 -20.819 -10.989 -0.453 1.00 0.00 O ATOM 810 CB VAL A 58 -21.068 -7.563 0.080 1.00 0.00 C ATOM 811 CG1 VAL A 58 -21.018 -7.562 -1.454 1.00 0.00 C ATOM 812 CG2 VAL A 58 -22.061 -6.473 0.520 1.00 0.00 C ATOM 0 H VAL A 58 -20.788 -8.845 2.560 1.00 0.00 H new ATOM 0 HA VAL A 58 -22.419 -9.163 0.084 1.00 0.00 H new ATOM 0 HB VAL A 58 -20.085 -7.348 0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -20.724 -6.574 -1.808 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -20.292 -8.300 -1.795 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -22.002 -7.811 -1.850 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.736 -5.507 0.133 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -23.052 -6.705 0.130 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -22.099 -6.434 1.609 1.00 0.00 H new ATOM 822 N SER A 59 -19.257 -9.977 0.826 1.00 0.00 N ATOM 823 CA SER A 59 -18.223 -11.008 0.796 1.00 0.00 C ATOM 824 C SER A 59 -17.240 -10.730 1.941 1.00 0.00 C ATOM 825 O SER A 59 -16.848 -9.579 2.128 1.00 0.00 O ATOM 826 CB SER A 59 -17.486 -10.987 -0.558 1.00 0.00 C ATOM 827 OG SER A 59 -18.398 -11.051 -1.647 1.00 0.00 O ATOM 0 H SER A 59 -18.951 -9.141 1.323 1.00 0.00 H new ATOM 0 HA SER A 59 -18.672 -11.994 0.918 1.00 0.00 H new ATOM 0 HB2 SER A 59 -16.889 -10.078 -0.635 1.00 0.00 H new ATOM 0 HB3 SER A 59 -16.795 -11.828 -0.611 1.00 0.00 H new ATOM 0 HG SER A 59 -17.926 -11.352 -2.452 1.00 0.00 H new ATOM 833 N ASN A 60 -16.797 -11.753 2.677 1.00 0.00 N ATOM 834 CA ASN A 60 -15.702 -11.609 3.649 1.00 0.00 C ATOM 835 C ASN A 60 -14.355 -11.385 2.953 1.00 0.00 C ATOM 836 O ASN A 60 -13.389 -10.972 3.595 1.00 0.00 O ATOM 837 CB ASN A 60 -15.558 -12.847 4.551 1.00 0.00 C ATOM 838 CG ASN A 60 -16.668 -13.006 5.576 1.00 0.00 C ATOM 839 OD1 ASN A 60 -17.197 -12.039 6.121 1.00 0.00 O ATOM 840 ND2 ASN A 60 -17.024 -14.238 5.892 1.00 0.00 N ATOM 0 H ASN A 60 -17.180 -12.696 2.620 1.00 0.00 H new ATOM 0 HA ASN A 60 -15.964 -10.742 4.255 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -15.528 -13.738 3.924 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -14.603 -12.793 5.073 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -17.746 -14.396 6.595 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -16.577 -15.032 5.433 1.00 0.00 H new ATOM 847 N SER A 61 -14.254 -11.695 1.661 1.00 0.00 N ATOM 848 CA SER A 61 -13.102 -11.324 0.860 1.00 0.00 C ATOM 849 C SER A 61 -13.072 -9.811 0.680 1.00 0.00 C ATOM 850 O SER A 61 -14.110 -9.170 0.490 1.00 0.00 O ATOM 851 CB SER A 61 -13.190 -12.013 -0.497 1.00 0.00 C ATOM 852 OG SER A 61 -13.064 -13.409 -0.301 1.00 0.00 O ATOM 0 H SER A 61 -14.969 -12.209 1.147 1.00 0.00 H new ATOM 0 HA SER A 61 -12.187 -11.638 1.362 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.141 -11.782 -0.978 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.402 -11.651 -1.158 1.00 0.00 H new ATOM 0 HG SER A 61 -13.120 -13.867 -1.165 1.00 0.00 H new ATOM 858 N TRP A 62 -11.865 -9.254 0.685 1.00 0.00 N ATOM 859 CA TRP A 62 -11.651 -7.893 0.232 1.00 0.00 C ATOM 860 C TRP A 62 -11.921 -7.848 -1.273 1.00 0.00 C ATOM 861 O TRP A 62 -11.688 -8.821 -1.998 1.00 0.00 O ATOM 862 CB TRP A 62 -10.245 -7.427 0.635 1.00 0.00 C ATOM 863 CG TRP A 62 -10.166 -7.030 2.081 1.00 0.00 C ATOM 864 CD1 TRP A 62 -10.030 -7.865 3.135 1.00 0.00 C ATOM 865 CD2 TRP A 62 -10.401 -5.710 2.657 1.00 0.00 C ATOM 866 NE1 TRP A 62 -10.140 -7.153 4.315 1.00 0.00 N ATOM 867 CE2 TRP A 62 -10.404 -5.818 4.081 1.00 0.00 C ATOM 868 CE3 TRP A 62 -10.677 -4.443 2.105 1.00 0.00 C ATOM 869 CZ2 TRP A 62 -10.684 -4.721 4.916 1.00 0.00 C ATOM 870 CZ3 TRP A 62 -11.023 -3.358 2.933 1.00 0.00 C ATOM 871 CH2 TRP A 62 -11.032 -3.496 4.331 1.00 0.00 C ATOM 0 H TRP A 62 -11.020 -9.730 1.000 1.00 0.00 H new ATOM 0 HA TRP A 62 -12.337 -7.191 0.706 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.531 -8.227 0.441 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -9.953 -6.581 0.012 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -9.861 -8.929 3.066 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -10.039 -7.563 5.243 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -10.623 -4.303 1.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -10.632 -4.821 5.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -11.284 -2.409 2.488 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -11.307 -2.658 4.955 1.00 0.00 H new ATOM 882 N GLN A 63 -12.477 -6.739 -1.746 1.00 0.00 N ATOM 883 CA GLN A 63 -12.965 -6.575 -3.106 1.00 0.00 C ATOM 884 C GLN A 63 -12.287 -5.356 -3.652 1.00 0.00 C ATOM 885 O GLN A 63 -12.446 -4.262 -3.120 1.00 0.00 O ATOM 886 CB GLN A 63 -14.491 -6.424 -3.117 1.00 0.00 C ATOM 887 CG GLN A 63 -15.137 -7.768 -2.771 1.00 0.00 C ATOM 888 CD GLN A 63 -15.365 -8.702 -3.953 1.00 0.00 C ATOM 889 OE1 GLN A 63 -14.776 -8.540 -5.022 1.00 0.00 O ATOM 890 NE2 GLN A 63 -16.174 -9.732 -3.770 1.00 0.00 N ATOM 0 H GLN A 63 -12.604 -5.904 -1.174 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.739 -7.447 -3.720 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.798 -5.665 -2.398 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -14.827 -6.088 -4.098 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -14.508 -8.278 -2.042 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -16.096 -7.579 -2.288 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -16.654 -9.851 -2.878 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -16.318 -10.407 -4.521 1.00 0.00 H new ATOM 899 N THR A 64 -11.515 -5.563 -4.701 1.00 0.00 N ATOM 900 CA THR A 64 -10.795 -4.474 -5.349 1.00 0.00 C ATOM 901 C THR A 64 -11.831 -3.673 -6.154 1.00 0.00 C ATOM 902 O THR A 64 -12.135 -4.002 -7.300 1.00 0.00 O ATOM 903 CB THR A 64 -9.622 -5.038 -6.175 1.00 0.00 C ATOM 904 OG1 THR A 64 -9.042 -6.161 -5.525 1.00 0.00 O ATOM 905 CG2 THR A 64 -8.509 -4.003 -6.391 1.00 0.00 C ATOM 0 H THR A 64 -11.367 -6.478 -5.127 1.00 0.00 H new ATOM 0 HA THR A 64 -10.326 -3.792 -4.640 1.00 0.00 H new ATOM 0 HB THR A 64 -10.043 -5.321 -7.140 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.301 -6.505 -6.066 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.706 -4.449 -6.978 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.912 -3.141 -6.923 1.00 0.00 H new ATOM 0 HG23 THR A 64 -8.118 -3.683 -5.425 1.00 0.00 H new ATOM 913 N VAL A 65 -12.382 -2.621 -5.542 1.00 0.00 N ATOM 914 CA VAL A 65 -13.496 -1.854 -6.092 1.00 0.00 C ATOM 915 C VAL A 65 -12.994 -0.724 -6.994 1.00 0.00 C ATOM 916 O VAL A 65 -13.761 -0.231 -7.829 1.00 0.00 O ATOM 917 CB VAL A 65 -14.427 -1.341 -4.969 1.00 0.00 C ATOM 918 CG1 VAL A 65 -15.235 -2.492 -4.346 1.00 0.00 C ATOM 919 CG2 VAL A 65 -13.687 -0.571 -3.861 1.00 0.00 C ATOM 0 H VAL A 65 -12.060 -2.276 -4.638 1.00 0.00 H new ATOM 0 HA VAL A 65 -14.092 -2.518 -6.718 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.104 -0.637 -5.453 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -15.880 -2.100 -3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -15.846 -2.965 -5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -14.552 -3.228 -3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -14.402 -0.241 -3.107 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.946 -1.223 -3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.188 0.297 -4.292 1.00 0.00 H new ATOM 929 N ALA A 66 -11.717 -0.344 -6.893 1.00 0.00 N ATOM 930 CA ALA A 66 -11.011 0.335 -7.963 1.00 0.00 C ATOM 931 C ALA A 66 -9.556 -0.114 -7.960 1.00 0.00 C ATOM 932 O ALA A 66 -8.973 -0.406 -6.914 1.00 0.00 O ATOM 933 CB ALA A 66 -11.123 1.852 -7.810 1.00 0.00 C ATOM 0 H ALA A 66 -11.149 -0.503 -6.061 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.462 0.074 -8.920 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.586 2.340 -8.623 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.173 2.144 -7.841 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.690 2.154 -6.856 1.00 0.00 H new ATOM 939 N ASN A 67 -8.964 -0.119 -9.146 1.00 0.00 N ATOM 940 CA ASN A 67 -7.575 -0.456 -9.418 1.00 0.00 C ATOM 941 C ASN A 67 -7.088 0.550 -10.454 1.00 0.00 C ATOM 942 O ASN A 67 -7.874 1.000 -11.291 1.00 0.00 O ATOM 943 CB ASN A 67 -7.497 -1.898 -9.951 1.00 0.00 C ATOM 944 CG ASN A 67 -6.165 -2.259 -10.588 1.00 0.00 C ATOM 945 OD1 ASN A 67 -5.929 -1.896 -11.729 1.00 0.00 O ATOM 946 ND2 ASN A 67 -5.288 -2.975 -9.912 1.00 0.00 N ATOM 0 H ASN A 67 -9.472 0.127 -9.995 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.953 -0.408 -8.524 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.692 -2.587 -9.130 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.289 -2.045 -10.685 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.400 -3.232 -10.342 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.498 -3.272 -8.959 1.00 0.00 H new ATOM 953 N HIS A 68 -5.805 0.894 -10.394 1.00 0.00 N ATOM 954 CA HIS A 68 -5.187 1.895 -11.256 1.00 0.00 C ATOM 955 C HIS A 68 -5.888 3.256 -11.119 1.00 0.00 C ATOM 956 O HIS A 68 -6.244 3.893 -12.110 1.00 0.00 O ATOM 957 CB HIS A 68 -5.028 1.374 -12.704 1.00 0.00 C ATOM 958 CG HIS A 68 -3.825 0.485 -12.899 1.00 0.00 C ATOM 959 ND1 HIS A 68 -3.023 0.435 -14.020 1.00 0.00 N ATOM 960 CD2 HIS A 68 -3.342 -0.432 -12.005 1.00 0.00 C ATOM 961 CE1 HIS A 68 -2.081 -0.493 -13.799 1.00 0.00 C ATOM 962 NE2 HIS A 68 -2.199 -1.011 -12.567 1.00 0.00 N ATOM 0 H HIS A 68 -5.153 0.476 -9.731 1.00 0.00 H new ATOM 0 HA HIS A 68 -4.166 2.076 -10.920 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.926 0.822 -12.983 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.954 2.225 -13.381 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.767 -0.666 -11.040 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.328 -0.784 -14.516 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.579 -1.691 -12.128 1.00 0.00 H new ATOM 970 N VAL A 69 -6.048 3.720 -9.878 1.00 0.00 N ATOM 971 CA VAL A 69 -6.486 5.070 -9.529 1.00 0.00 C ATOM 972 C VAL A 69 -5.253 5.981 -9.591 1.00 0.00 C ATOM 973 O VAL A 69 -4.182 5.566 -9.160 1.00 0.00 O ATOM 974 CB VAL A 69 -7.144 5.027 -8.125 1.00 0.00 C ATOM 975 CG1 VAL A 69 -7.464 6.412 -7.546 1.00 0.00 C ATOM 976 CG2 VAL A 69 -8.432 4.190 -8.166 1.00 0.00 C ATOM 0 H VAL A 69 -5.868 3.142 -9.057 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.233 5.464 -10.218 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.405 4.570 -7.467 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.922 6.299 -6.563 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.544 6.989 -7.453 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.154 6.933 -8.210 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.883 4.168 -7.174 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.132 4.634 -8.874 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -8.195 3.173 -8.479 1.00 0.00 H new ATOM 986 N LYS A 70 -5.373 7.203 -10.123 1.00 0.00 N ATOM 987 CA LYS A 70 -4.268 8.157 -10.279 1.00 0.00 C ATOM 988 C LYS A 70 -4.509 9.458 -9.500 1.00 0.00 C ATOM 989 O LYS A 70 -4.044 10.530 -9.889 1.00 0.00 O ATOM 990 CB LYS A 70 -4.048 8.430 -11.771 1.00 0.00 C ATOM 991 CG LYS A 70 -3.738 7.160 -12.584 1.00 0.00 C ATOM 992 CD LYS A 70 -4.610 7.010 -13.835 1.00 0.00 C ATOM 993 CE LYS A 70 -6.050 6.776 -13.382 1.00 0.00 C ATOM 994 NZ LYS A 70 -6.983 6.495 -14.490 1.00 0.00 N ATOM 0 H LYS A 70 -6.263 7.565 -10.465 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.366 7.715 -9.855 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.938 8.907 -12.181 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.226 9.136 -11.887 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.689 7.175 -12.881 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.877 6.287 -11.947 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.546 7.905 -14.454 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.262 6.176 -14.444 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.070 5.941 -12.682 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.398 7.655 -12.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.939 6.347 -14.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.993 7.300 -15.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.675 5.639 -14.995 1.00 0.00 H new ATOM 1008 N THR A 71 -5.312 9.393 -8.443 1.00 0.00 N ATOM 1009 CA THR A 71 -5.709 10.542 -7.648 1.00 0.00 C ATOM 1010 C THR A 71 -5.805 10.121 -6.192 1.00 0.00 C ATOM 1011 O THR A 71 -5.695 8.937 -5.869 1.00 0.00 O ATOM 1012 CB THR A 71 -7.017 11.128 -8.205 1.00 0.00 C ATOM 1013 OG1 THR A 71 -7.445 12.274 -7.492 1.00 0.00 O ATOM 1014 CG2 THR A 71 -8.156 10.106 -8.274 1.00 0.00 C ATOM 0 H THR A 71 -5.713 8.516 -8.110 1.00 0.00 H new ATOM 0 HA THR A 71 -4.967 11.338 -7.705 1.00 0.00 H new ATOM 0 HB THR A 71 -6.774 11.425 -9.225 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.278 12.611 -7.884 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.050 10.584 -8.676 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.864 9.279 -8.922 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.366 9.727 -7.274 1.00 0.00 H new ATOM 1022 N THR A 72 -6.022 11.104 -5.333 1.00 0.00 N ATOM 1023 CA THR A 72 -6.141 10.996 -3.882 1.00 0.00 C ATOM 1024 C THR A 72 -7.603 11.092 -3.414 1.00 0.00 C ATOM 1025 O THR A 72 -7.862 11.085 -2.206 1.00 0.00 O ATOM 1026 CB THR A 72 -5.245 12.063 -3.224 1.00 0.00 C ATOM 1027 OG1 THR A 72 -5.328 13.301 -3.913 1.00 0.00 O ATOM 1028 CG2 THR A 72 -3.774 11.634 -3.192 1.00 0.00 C ATOM 0 H THR A 72 -6.128 12.068 -5.651 1.00 0.00 H new ATOM 0 HA THR A 72 -5.799 10.009 -3.569 1.00 0.00 H new ATOM 0 HB THR A 72 -5.611 12.178 -2.204 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.751 13.960 -3.473 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.177 12.415 -2.720 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.677 10.709 -2.623 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.420 11.472 -4.210 1.00 0.00 H new ATOM 1036 N LEU A 73 -8.553 11.204 -4.354 1.00 0.00 N ATOM 1037 CA LEU A 73 -9.962 11.456 -4.116 1.00 0.00 C ATOM 1038 C LEU A 73 -10.750 10.592 -5.089 1.00 0.00 C ATOM 1039 O LEU A 73 -10.581 10.741 -6.300 1.00 0.00 O ATOM 1040 CB LEU A 73 -10.229 12.959 -4.332 1.00 0.00 C ATOM 1041 CG LEU A 73 -11.154 13.633 -3.308 1.00 0.00 C ATOM 1042 CD1 LEU A 73 -10.824 13.307 -1.894 1.00 0.00 C ATOM 1043 CD2 LEU A 73 -11.030 15.149 -3.424 1.00 0.00 C ATOM 0 H LEU A 73 -8.338 11.115 -5.347 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.264 11.205 -3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.273 13.482 -4.327 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.660 13.092 -5.324 1.00 0.00 H new ATOM 0 HG LEU A 73 -12.153 13.262 -3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.520 13.820 -1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.902 12.231 -1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.807 13.632 -1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.687 15.625 -2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.999 15.446 -3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.315 15.462 -4.429 1.00 0.00 H new ATOM 1055 N TYR A 74 -11.518 9.623 -4.590 1.00 0.00 N ATOM 1056 CA TYR A 74 -12.239 8.698 -5.458 1.00 0.00 C ATOM 1057 C TYR A 74 -13.578 8.291 -4.865 1.00 0.00 C ATOM 1058 O TYR A 74 -13.637 7.713 -3.780 1.00 0.00 O ATOM 1059 CB TYR A 74 -11.358 7.477 -5.744 1.00 0.00 C ATOM 1060 CG TYR A 74 -11.886 6.600 -6.858 1.00 0.00 C ATOM 1061 CD1 TYR A 74 -11.623 6.945 -8.198 1.00 0.00 C ATOM 1062 CD2 TYR A 74 -12.652 5.459 -6.559 1.00 0.00 C ATOM 1063 CE1 TYR A 74 -12.090 6.121 -9.239 1.00 0.00 C ATOM 1064 CE2 TYR A 74 -13.140 4.646 -7.596 1.00 0.00 C ATOM 1065 CZ TYR A 74 -12.840 4.962 -8.940 1.00 0.00 C ATOM 1066 OH TYR A 74 -13.276 4.175 -9.960 1.00 0.00 O ATOM 0 H TYR A 74 -11.655 9.460 -3.592 1.00 0.00 H new ATOM 0 HA TYR A 74 -12.460 9.205 -6.397 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -10.355 7.815 -6.003 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -11.269 6.882 -4.835 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -11.064 7.840 -8.426 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -12.865 5.207 -5.531 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -11.875 6.375 -10.266 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -13.744 3.781 -7.366 1.00 0.00 H new ATOM 0 HH TYR A 74 -13.776 3.415 -9.596 1.00 0.00 H new ATOM 1076 N THR A 75 -14.640 8.579 -5.610 1.00 0.00 N ATOM 1077 CA THR A 75 -15.977 8.041 -5.450 1.00 0.00 C ATOM 1078 C THR A 75 -15.956 6.543 -5.772 1.00 0.00 C ATOM 1079 O THR A 75 -15.949 6.142 -6.938 1.00 0.00 O ATOM 1080 CB THR A 75 -16.919 8.819 -6.375 1.00 0.00 C ATOM 1081 OG1 THR A 75 -16.785 10.213 -6.155 1.00 0.00 O ATOM 1082 CG2 THR A 75 -18.385 8.417 -6.187 1.00 0.00 C ATOM 0 H THR A 75 -14.581 9.235 -6.389 1.00 0.00 H new ATOM 0 HA THR A 75 -16.333 8.151 -4.426 1.00 0.00 H new ATOM 0 HB THR A 75 -16.632 8.572 -7.397 1.00 0.00 H new ATOM 0 HG1 THR A 75 -16.768 10.392 -5.192 1.00 0.00 H new ATOM 0 HG21 THR A 75 -19.011 8.997 -6.865 1.00 0.00 H new ATOM 0 HG22 THR A 75 -18.502 7.355 -6.404 1.00 0.00 H new ATOM 0 HG23 THR A 75 -18.687 8.612 -5.158 1.00 0.00 H new ATOM 1090 N VAL A 76 -15.949 5.712 -4.736 1.00 0.00 N ATOM 1091 CA VAL A 76 -16.299 4.305 -4.822 1.00 0.00 C ATOM 1092 C VAL A 76 -17.773 4.210 -5.206 1.00 0.00 C ATOM 1093 O VAL A 76 -18.580 5.021 -4.755 1.00 0.00 O ATOM 1094 CB VAL A 76 -16.051 3.645 -3.458 1.00 0.00 C ATOM 1095 CG1 VAL A 76 -16.373 2.145 -3.525 1.00 0.00 C ATOM 1096 CG2 VAL A 76 -14.578 3.795 -3.055 1.00 0.00 C ATOM 0 H VAL A 76 -15.694 6.007 -3.794 1.00 0.00 H new ATOM 0 HA VAL A 76 -15.694 3.793 -5.570 1.00 0.00 H new ATOM 0 HB VAL A 76 -16.694 4.136 -2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -16.193 1.690 -2.551 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -17.419 2.009 -3.801 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.737 1.669 -4.271 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.416 3.323 -2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -13.946 3.316 -3.802 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -14.325 4.853 -2.990 1.00 0.00 H new ATOM 1106 N ARG A 77 -18.143 3.205 -6.002 1.00 0.00 N ATOM 1107 CA ARG A 77 -19.481 3.018 -6.556 1.00 0.00 C ATOM 1108 C ARG A 77 -19.899 1.557 -6.459 1.00 0.00 C ATOM 1109 O ARG A 77 -19.116 0.705 -6.044 1.00 0.00 O ATOM 1110 CB ARG A 77 -19.451 3.451 -8.028 1.00 0.00 C ATOM 1111 CG ARG A 77 -19.235 4.959 -8.173 1.00 0.00 C ATOM 1112 CD ARG A 77 -19.073 5.365 -9.639 1.00 0.00 C ATOM 1113 NE ARG A 77 -19.429 6.781 -9.805 1.00 0.00 N ATOM 1114 CZ ARG A 77 -20.679 7.261 -9.835 1.00 0.00 C ATOM 1115 NH1 ARG A 77 -21.727 6.448 -9.923 1.00 0.00 N ATOM 1116 NH2 ARG A 77 -20.859 8.566 -9.752 1.00 0.00 N ATOM 0 H ARG A 77 -17.493 2.473 -6.288 1.00 0.00 H new ATOM 0 HA ARG A 77 -20.200 3.615 -5.995 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -18.654 2.918 -8.547 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -20.388 3.170 -8.509 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -20.081 5.492 -7.738 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -18.349 5.256 -7.612 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -18.045 5.199 -9.961 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -19.709 4.744 -10.270 1.00 0.00 H new ATOM 0 HE ARG A 77 -18.665 7.450 -9.905 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -21.587 5.439 -9.969 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -22.671 6.833 -9.944 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -20.055 9.187 -9.667 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -21.802 8.953 -9.773 1.00 0.00 H new ATOM 1130 N GLY A 78 -21.119 1.266 -6.908 1.00 0.00 N ATOM 1131 CA GLY A 78 -21.612 -0.095 -7.072 1.00 0.00 C ATOM 1132 C GLY A 78 -22.041 -0.725 -5.751 1.00 0.00 C ATOM 1133 O GLY A 78 -22.191 -1.948 -5.672 1.00 0.00 O ATOM 0 H GLY A 78 -21.799 1.980 -7.171 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -22.457 -0.091 -7.760 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -20.833 -0.707 -7.527 1.00 0.00 H new ATOM 1137 N LEU A 79 -22.225 0.086 -4.708 1.00 0.00 N ATOM 1138 CA LEU A 79 -22.425 -0.399 -3.343 1.00 0.00 C ATOM 1139 C LEU A 79 -23.893 -0.751 -3.116 1.00 0.00 C ATOM 1140 O LEU A 79 -24.698 -0.783 -4.049 1.00 0.00 O ATOM 1141 CB LEU A 79 -21.909 0.619 -2.306 1.00 0.00 C ATOM 1142 CG LEU A 79 -20.441 1.019 -2.496 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -20.064 2.117 -1.505 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -19.469 -0.156 -2.340 1.00 0.00 C ATOM 0 H LEU A 79 -22.239 1.103 -4.788 1.00 0.00 H new ATOM 0 HA LEU A 79 -21.839 -1.308 -3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -22.527 1.515 -2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -22.033 0.199 -1.308 1.00 0.00 H new ATOM 0 HG LEU A 79 -20.352 1.380 -3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -19.019 2.394 -1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -20.696 2.989 -1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -20.206 1.753 -0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -18.447 0.195 -2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -19.567 -0.579 -1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -19.700 -0.920 -3.082 1.00 0.00 H new ATOM 1156 N ARG A 80 -24.225 -1.061 -1.869 1.00 0.00 N ATOM 1157 CA ARG A 80 -25.573 -1.370 -1.401 1.00 0.00 C ATOM 1158 C ARG A 80 -25.995 -0.269 -0.435 1.00 0.00 C ATOM 1159 O ARG A 80 -25.142 0.181 0.337 1.00 0.00 O ATOM 1160 CB ARG A 80 -25.605 -2.710 -0.666 1.00 0.00 C ATOM 1161 CG ARG A 80 -25.236 -3.867 -1.586 1.00 0.00 C ATOM 1162 CD ARG A 80 -25.185 -5.177 -0.804 1.00 0.00 C ATOM 1163 NE ARG A 80 -26.514 -5.786 -0.634 1.00 0.00 N ATOM 1164 CZ ARG A 80 -26.717 -7.069 -0.312 1.00 0.00 C ATOM 1165 NH1 ARG A 80 -25.749 -7.805 0.223 1.00 0.00 N ATOM 1166 NH2 ARG A 80 -27.906 -7.616 -0.520 1.00 0.00 N ATOM 0 H ARG A 80 -23.532 -1.106 -1.122 1.00 0.00 H new ATOM 0 HA ARG A 80 -26.246 -1.432 -2.256 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -24.913 -2.680 0.176 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -26.601 -2.876 -0.255 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -25.966 -3.946 -2.392 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -24.268 -3.676 -2.050 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -24.531 -5.879 -1.321 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -24.745 -4.994 0.176 1.00 0.00 H new ATOM 0 HE ARG A 80 -27.332 -5.193 -0.770 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -24.832 -7.394 0.395 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -25.923 -8.781 0.462 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -28.660 -7.060 -0.923 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -28.067 -8.593 -0.277 1.00 0.00 H new ATOM 1180 N PRO A 81 -27.278 0.103 -0.372 1.00 0.00 N ATOM 1181 CA PRO A 81 -27.765 1.063 0.603 1.00 0.00 C ATOM 1182 C PRO A 81 -27.920 0.399 1.973 1.00 0.00 C ATOM 1183 O PRO A 81 -28.121 -0.821 2.064 1.00 0.00 O ATOM 1184 CB PRO A 81 -29.064 1.587 -0.006 1.00 0.00 C ATOM 1185 CG PRO A 81 -29.567 0.471 -0.928 1.00 0.00 C ATOM 1186 CD PRO A 81 -28.367 -0.436 -1.169 1.00 0.00 C ATOM 0 HA PRO A 81 -27.085 1.893 0.796 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -29.796 1.815 0.769 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -28.892 2.508 -0.563 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -30.387 -0.079 -0.466 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -29.945 0.878 -1.866 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -28.591 -1.462 -0.877 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -28.102 -0.456 -2.226 1.00 0.00 H new ATOM 1194 N ASN A 82 -27.835 1.192 3.049 1.00 0.00 N ATOM 1195 CA ASN A 82 -27.858 0.718 4.442 1.00 0.00 C ATOM 1196 C ASN A 82 -26.901 -0.463 4.649 1.00 0.00 C ATOM 1197 O ASN A 82 -27.263 -1.491 5.221 1.00 0.00 O ATOM 1198 CB ASN A 82 -29.317 0.416 4.855 1.00 0.00 C ATOM 1199 CG ASN A 82 -29.444 0.052 6.329 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -29.098 0.832 7.208 1.00 0.00 O ATOM 1201 ND2 ASN A 82 -29.950 -1.120 6.663 1.00 0.00 N ATOM 0 H ASN A 82 -27.746 2.205 2.975 1.00 0.00 H new ATOM 0 HA ASN A 82 -27.488 1.500 5.105 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -29.938 1.287 4.645 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -29.701 -0.404 4.248 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -30.051 -1.370 7.647 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -30.241 -1.775 5.938 1.00 0.00 H new ATOM 1208 N THR A 83 -25.686 -0.363 4.115 1.00 0.00 N ATOM 1209 CA THR A 83 -24.656 -1.386 4.226 1.00 0.00 C ATOM 1210 C THR A 83 -23.375 -0.702 4.665 1.00 0.00 C ATOM 1211 O THR A 83 -23.063 0.403 4.215 1.00 0.00 O ATOM 1212 CB THR A 83 -24.549 -2.157 2.887 1.00 0.00 C ATOM 1213 OG1 THR A 83 -25.777 -2.817 2.628 1.00 0.00 O ATOM 1214 CG2 THR A 83 -23.433 -3.194 2.842 1.00 0.00 C ATOM 0 H THR A 83 -25.386 0.452 3.581 1.00 0.00 H new ATOM 0 HA THR A 83 -24.893 -2.141 4.976 1.00 0.00 H new ATOM 0 HB THR A 83 -24.314 -1.407 2.132 1.00 0.00 H new ATOM 0 HG1 THR A 83 -26.473 -2.152 2.444 1.00 0.00 H new ATOM 0 HG21 THR A 83 -23.432 -3.685 1.869 1.00 0.00 H new ATOM 0 HG22 THR A 83 -22.473 -2.703 3.002 1.00 0.00 H new ATOM 0 HG23 THR A 83 -23.595 -3.937 3.623 1.00 0.00 H new ATOM 1222 N ILE A 84 -22.696 -1.340 5.616 1.00 0.00 N ATOM 1223 CA ILE A 84 -21.374 -0.938 6.044 1.00 0.00 C ATOM 1224 C ILE A 84 -20.365 -1.330 4.981 1.00 0.00 C ATOM 1225 O ILE A 84 -20.477 -2.403 4.383 1.00 0.00 O ATOM 1226 CB ILE A 84 -21.029 -1.567 7.412 1.00 0.00 C ATOM 1227 CG1 ILE A 84 -21.818 -0.923 8.565 1.00 0.00 C ATOM 1228 CG2 ILE A 84 -19.524 -1.549 7.753 1.00 0.00 C ATOM 1229 CD1 ILE A 84 -21.688 0.596 8.663 1.00 0.00 C ATOM 0 H ILE A 84 -23.058 -2.156 6.110 1.00 0.00 H new ATOM 0 HA ILE A 84 -21.345 0.144 6.171 1.00 0.00 H new ATOM 0 HB ILE A 84 -21.327 -2.610 7.306 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -22.872 -1.176 8.451 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -21.484 -1.363 9.505 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -19.366 -2.009 8.729 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -18.973 -2.107 6.996 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -19.168 -0.519 7.775 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -22.278 0.958 9.505 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -20.642 0.863 8.812 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -22.051 1.052 7.742 1.00 0.00 H new ATOM 1241 N TYR A 85 -19.331 -0.508 4.846 1.00 0.00 N ATOM 1242 CA TYR A 85 -18.130 -0.852 4.114 1.00 0.00 C ATOM 1243 C TYR A 85 -16.915 -0.420 4.907 1.00 0.00 C ATOM 1244 O TYR A 85 -16.942 0.579 5.628 1.00 0.00 O ATOM 1245 CB TYR A 85 -18.140 -0.206 2.725 1.00 0.00 C ATOM 1246 CG TYR A 85 -19.223 -0.780 1.842 1.00 0.00 C ATOM 1247 CD1 TYR A 85 -18.998 -2.002 1.180 1.00 0.00 C ATOM 1248 CD2 TYR A 85 -20.484 -0.159 1.780 1.00 0.00 C ATOM 1249 CE1 TYR A 85 -20.036 -2.611 0.458 1.00 0.00 C ATOM 1250 CE2 TYR A 85 -21.527 -0.762 1.062 1.00 0.00 C ATOM 1251 CZ TYR A 85 -21.301 -1.988 0.397 1.00 0.00 C ATOM 1252 OH TYR A 85 -22.308 -2.569 -0.300 1.00 0.00 O ATOM 0 H TYR A 85 -19.308 0.428 5.250 1.00 0.00 H new ATOM 0 HA TYR A 85 -18.092 -1.932 3.974 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -18.287 0.869 2.826 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -17.170 -0.352 2.250 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -18.026 -2.471 1.228 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -20.649 0.781 2.285 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -19.868 -3.550 -0.048 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -22.498 -0.292 1.018 1.00 0.00 H new ATOM 0 HH TYR A 85 -21.990 -3.407 -0.696 1.00 0.00 H new ATOM 1262 N LEU A 86 -15.844 -1.185 4.738 1.00 0.00 N ATOM 1263 CA LEU A 86 -14.481 -0.763 5.003 1.00 0.00 C ATOM 1264 C LEU A 86 -13.781 -0.616 3.688 1.00 0.00 C ATOM 1265 O LEU A 86 -14.264 -1.164 2.704 1.00 0.00 O ATOM 1266 CB LEU A 86 -13.751 -1.766 5.903 1.00 0.00 C ATOM 1267 CG LEU A 86 -14.386 -1.921 7.288 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -14.082 -3.300 7.870 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -13.872 -0.851 8.244 1.00 0.00 C ATOM 0 H LEU A 86 -15.906 -2.146 4.402 1.00 0.00 H new ATOM 0 HA LEU A 86 -14.486 0.188 5.535 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.733 -2.738 5.410 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -12.715 -1.449 6.021 1.00 0.00 H new ATOM 0 HG LEU A 86 -15.464 -1.808 7.170 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -14.542 -3.389 8.854 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.483 -4.070 7.211 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -13.003 -3.427 7.961 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -14.337 -0.982 9.221 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.790 -0.940 8.343 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -14.120 0.136 7.853 1.00 0.00 H new ATOM 1281 N PHE A 87 -12.676 0.125 3.707 1.00 0.00 N ATOM 1282 CA PHE A 87 -11.868 0.472 2.563 1.00 0.00 C ATOM 1283 C PHE A 87 -10.398 0.481 3.011 1.00 0.00 C ATOM 1284 O PHE A 87 -10.125 0.852 4.156 1.00 0.00 O ATOM 1285 CB PHE A 87 -12.351 1.825 2.015 1.00 0.00 C ATOM 1286 CG PHE A 87 -13.809 1.874 1.619 1.00 0.00 C ATOM 1287 CD1 PHE A 87 -14.253 1.142 0.504 1.00 0.00 C ATOM 1288 CD2 PHE A 87 -14.704 2.703 2.311 1.00 0.00 C ATOM 1289 CE1 PHE A 87 -15.591 1.234 0.083 1.00 0.00 C ATOM 1290 CE2 PHE A 87 -16.025 2.825 1.857 1.00 0.00 C ATOM 1291 CZ PHE A 87 -16.480 2.099 0.745 1.00 0.00 C ATOM 0 H PHE A 87 -12.308 0.516 4.574 1.00 0.00 H new ATOM 0 HA PHE A 87 -11.960 -0.248 1.750 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -12.170 2.590 2.770 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -11.746 2.084 1.146 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -13.563 0.506 -0.031 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -14.378 3.244 3.187 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -15.936 0.640 -0.750 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -16.704 3.489 2.372 1.00 0.00 H new ATOM 0 HZ PHE A 87 -17.499 2.203 0.403 1.00 0.00 H new ATOM 1301 N MET A 88 -9.482 0.034 2.145 1.00 0.00 N ATOM 1302 CA MET A 88 -8.036 -0.031 2.288 1.00 0.00 C ATOM 1303 C MET A 88 -7.421 0.449 0.969 1.00 0.00 C ATOM 1304 O MET A 88 -7.725 -0.117 -0.086 1.00 0.00 O ATOM 1305 CB MET A 88 -7.612 -1.492 2.523 1.00 0.00 C ATOM 1306 CG MET A 88 -7.792 -1.969 3.970 1.00 0.00 C ATOM 1307 SD MET A 88 -6.518 -3.109 4.592 1.00 0.00 S ATOM 1308 CE MET A 88 -6.710 -4.501 3.457 1.00 0.00 C ATOM 0 H MET A 88 -9.772 -0.326 1.236 1.00 0.00 H new ATOM 0 HA MET A 88 -7.706 0.583 3.126 1.00 0.00 H new ATOM 0 HB2 MET A 88 -8.191 -2.138 1.864 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.565 -1.606 2.241 1.00 0.00 H new ATOM 0 HG2 MET A 88 -7.819 -1.095 4.620 1.00 0.00 H new ATOM 0 HG3 MET A 88 -8.762 -2.458 4.053 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.389 -5.419 3.949 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.757 -4.592 3.167 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.101 -4.333 2.569 1.00 0.00 H new ATOM 1318 N VAL A 89 -6.534 1.442 1.014 1.00 0.00 N ATOM 1319 CA VAL A 89 -5.806 1.942 -0.146 1.00 0.00 C ATOM 1320 C VAL A 89 -4.454 1.216 -0.194 1.00 0.00 C ATOM 1321 O VAL A 89 -3.831 0.961 0.840 1.00 0.00 O ATOM 1322 CB VAL A 89 -5.578 3.463 -0.016 1.00 0.00 C ATOM 1323 CG1 VAL A 89 -4.966 4.060 -1.284 1.00 0.00 C ATOM 1324 CG2 VAL A 89 -6.885 4.226 0.152 1.00 0.00 C ATOM 0 H VAL A 89 -6.298 1.930 1.878 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.374 1.760 -1.058 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.924 3.564 0.850 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.823 5.132 -1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.004 3.587 -1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.635 3.887 -2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.675 5.292 0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.522 4.051 -0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -7.394 3.881 1.052 1.00 0.00 H new ATOM 1334 N ARG A 90 -3.953 0.951 -1.402 1.00 0.00 N ATOM 1335 CA ARG A 90 -2.581 0.507 -1.644 1.00 0.00 C ATOM 1336 C ARG A 90 -2.018 1.373 -2.763 1.00 0.00 C ATOM 1337 O ARG A 90 -2.670 1.502 -3.799 1.00 0.00 O ATOM 1338 CB ARG A 90 -2.555 -0.984 -2.024 1.00 0.00 C ATOM 1339 CG ARG A 90 -2.981 -1.920 -0.889 1.00 0.00 C ATOM 1340 CD ARG A 90 -3.090 -3.366 -1.397 1.00 0.00 C ATOM 1341 NE ARG A 90 -2.766 -4.305 -0.318 1.00 0.00 N ATOM 1342 CZ ARG A 90 -3.253 -5.519 -0.055 1.00 0.00 C ATOM 1343 NH1 ARG A 90 -4.314 -6.006 -0.690 1.00 0.00 N ATOM 1344 NH2 ARG A 90 -2.644 -6.239 0.878 1.00 0.00 N ATOM 0 H ARG A 90 -4.502 1.041 -2.257 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.974 0.613 -0.745 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.212 -1.143 -2.879 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.547 -1.250 -2.343 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.257 -1.868 -0.075 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.940 -1.597 -0.484 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.099 -3.556 -1.764 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.412 -3.517 -2.237 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.055 -3.978 0.336 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.782 -5.447 -1.403 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.660 -6.939 -0.464 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -1.833 -5.860 1.366 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.987 -7.172 1.107 1.00 0.00 H new ATOM 1358 N ALA A 91 -0.846 1.979 -2.580 1.00 0.00 N ATOM 1359 CA ALA A 91 -0.149 2.689 -3.648 1.00 0.00 C ATOM 1360 C ALA A 91 0.709 1.668 -4.394 1.00 0.00 C ATOM 1361 O ALA A 91 1.489 0.956 -3.770 1.00 0.00 O ATOM 1362 CB ALA A 91 0.706 3.816 -3.062 1.00 0.00 C ATOM 0 H ALA A 91 -0.354 1.991 -1.687 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.856 3.150 -4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.221 4.339 -3.868 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.066 4.517 -2.526 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.440 3.396 -2.374 1.00 0.00 H new ATOM 1368 N ILE A 92 0.549 1.557 -5.706 1.00 0.00 N ATOM 1369 CA ILE A 92 1.286 0.653 -6.579 1.00 0.00 C ATOM 1370 C ILE A 92 2.590 1.317 -7.019 1.00 0.00 C ATOM 1371 O ILE A 92 2.640 2.526 -7.257 1.00 0.00 O ATOM 1372 CB ILE A 92 0.364 0.222 -7.761 1.00 0.00 C ATOM 1373 CG1 ILE A 92 -0.131 -1.195 -7.447 1.00 0.00 C ATOM 1374 CG2 ILE A 92 0.990 0.285 -9.159 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -1.070 -1.783 -8.498 1.00 0.00 C ATOM 0 H ILE A 92 -0.131 2.122 -6.215 1.00 0.00 H new ATOM 0 HA ILE A 92 1.571 -0.260 -6.056 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.446 0.948 -7.822 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.732 -1.853 -7.340 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.644 -1.183 -6.485 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.258 -0.037 -9.900 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.298 1.308 -9.374 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.859 -0.372 -9.198 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.371 -2.786 -8.196 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.953 -1.151 -8.591 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.556 -1.832 -9.458 1.00 0.00 H new ATOM 1387 N ASN A 93 3.618 0.499 -7.230 1.00 0.00 N ATOM 1388 CA ASN A 93 4.869 0.838 -7.919 1.00 0.00 C ATOM 1389 C ASN A 93 5.200 -0.327 -8.874 1.00 0.00 C ATOM 1390 O ASN A 93 4.408 -1.267 -8.943 1.00 0.00 O ATOM 1391 CB ASN A 93 5.960 1.236 -6.895 1.00 0.00 C ATOM 1392 CG ASN A 93 6.867 0.131 -6.362 1.00 0.00 C ATOM 1393 OD1 ASN A 93 6.626 -1.054 -6.560 1.00 0.00 O ATOM 1394 ND2 ASN A 93 7.951 0.513 -5.702 1.00 0.00 N ATOM 0 H ASN A 93 3.604 -0.469 -6.910 1.00 0.00 H new ATOM 0 HA ASN A 93 4.787 1.728 -8.543 1.00 0.00 H new ATOM 0 HB2 ASN A 93 6.592 1.996 -7.356 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.466 1.705 -6.044 1.00 0.00 H new ATOM 0 HD21 ASN A 93 8.605 -0.185 -5.347 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.132 1.505 -5.549 1.00 0.00 H new ATOM 1401 N PRO A 94 6.289 -0.326 -9.660 1.00 0.00 N ATOM 1402 CA PRO A 94 6.507 -1.365 -10.673 1.00 0.00 C ATOM 1403 C PRO A 94 6.941 -2.723 -10.088 1.00 0.00 C ATOM 1404 O PRO A 94 7.210 -3.654 -10.845 1.00 0.00 O ATOM 1405 CB PRO A 94 7.571 -0.785 -11.612 1.00 0.00 C ATOM 1406 CG PRO A 94 8.375 0.110 -10.687 1.00 0.00 C ATOM 1407 CD PRO A 94 7.336 0.679 -9.727 1.00 0.00 C ATOM 0 HA PRO A 94 5.575 -1.596 -11.189 1.00 0.00 H new ATOM 0 HB2 PRO A 94 8.187 -1.566 -12.058 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.125 -0.224 -12.433 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.143 -0.452 -10.156 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.883 0.901 -11.239 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.768 0.864 -8.743 1.00 0.00 H new ATOM 0 HD3 PRO A 94 6.946 1.631 -10.088 1.00 0.00 H new ATOM 1415 N GLN A 95 7.084 -2.855 -8.767 1.00 0.00 N ATOM 1416 CA GLN A 95 7.621 -4.038 -8.096 1.00 0.00 C ATOM 1417 C GLN A 95 6.556 -4.670 -7.204 1.00 0.00 C ATOM 1418 O GLN A 95 6.443 -5.895 -7.159 1.00 0.00 O ATOM 1419 CB GLN A 95 8.871 -3.644 -7.288 1.00 0.00 C ATOM 1420 CG GLN A 95 9.977 -2.980 -8.132 1.00 0.00 C ATOM 1421 CD GLN A 95 10.640 -3.906 -9.151 1.00 0.00 C ATOM 1422 OE1 GLN A 95 11.785 -4.316 -8.978 1.00 0.00 O ATOM 1423 NE2 GLN A 95 9.979 -4.230 -10.249 1.00 0.00 N ATOM 0 H GLN A 95 6.820 -2.116 -8.115 1.00 0.00 H new ATOM 0 HA GLN A 95 7.910 -4.781 -8.839 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.576 -2.961 -6.491 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.278 -4.535 -6.810 1.00 0.00 H new ATOM 0 HG2 GLN A 95 9.551 -2.126 -8.659 1.00 0.00 H new ATOM 0 HG3 GLN A 95 10.743 -2.590 -7.462 1.00 0.00 H new ATOM 0 HE21 GLN A 95 9.028 -3.889 -10.391 1.00 0.00 H new ATOM 0 HE22 GLN A 95 10.420 -4.821 -10.954 1.00 0.00 H new ATOM 1432 N GLY A 96 5.742 -3.848 -6.546 1.00 0.00 N ATOM 1433 CA GLY A 96 4.674 -4.305 -5.686 1.00 0.00 C ATOM 1434 C GLY A 96 3.687 -3.182 -5.445 1.00 0.00 C ATOM 1435 O GLY A 96 3.320 -2.421 -6.349 1.00 0.00 O ATOM 0 H GLY A 96 5.814 -2.832 -6.602 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.166 -5.155 -6.143 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.083 -4.651 -4.737 1.00 0.00 H new ATOM 1439 N LEU A 97 3.207 -3.131 -4.214 1.00 0.00 N ATOM 1440 CA LEU A 97 2.210 -2.230 -3.692 1.00 0.00 C ATOM 1441 C LEU A 97 2.629 -1.891 -2.262 1.00 0.00 C ATOM 1442 O LEU A 97 3.420 -2.618 -1.668 1.00 0.00 O ATOM 1443 CB LEU A 97 0.842 -2.916 -3.823 1.00 0.00 C ATOM 1444 CG LEU A 97 0.728 -4.285 -3.115 1.00 0.00 C ATOM 1445 CD1 LEU A 97 0.327 -4.115 -1.653 1.00 0.00 C ATOM 1446 CD2 LEU A 97 -0.285 -5.152 -3.860 1.00 0.00 C ATOM 0 H LEU A 97 3.538 -3.777 -3.498 1.00 0.00 H new ATOM 0 HA LEU A 97 2.127 -1.288 -4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.079 -2.251 -3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.620 -3.052 -4.882 1.00 0.00 H new ATOM 0 HG LEU A 97 1.701 -4.776 -3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.254 -5.094 -1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.078 -3.517 -1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.638 -3.612 -1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.370 -6.119 -3.365 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.257 -4.658 -3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.047 -5.298 -4.888 1.00 0.00 H new ATOM 1458 N SER A 98 2.128 -0.788 -1.719 1.00 0.00 N ATOM 1459 CA SER A 98 2.599 -0.232 -0.463 1.00 0.00 C ATOM 1460 C SER A 98 2.147 -1.107 0.705 1.00 0.00 C ATOM 1461 O SER A 98 1.240 -1.935 0.563 1.00 0.00 O ATOM 1462 CB SER A 98 2.090 1.212 -0.332 1.00 0.00 C ATOM 1463 OG SER A 98 0.679 1.286 -0.150 1.00 0.00 O ATOM 0 H SER A 98 1.374 -0.250 -2.146 1.00 0.00 H new ATOM 0 HA SER A 98 3.689 -0.214 -0.446 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.586 1.692 0.511 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.366 1.772 -1.225 1.00 0.00 H new ATOM 0 HG SER A 98 0.446 0.951 0.741 1.00 0.00 H new ATOM 1469 N ASP A 99 2.730 -0.879 1.883 1.00 0.00 N ATOM 1470 CA ASP A 99 2.109 -1.322 3.131 1.00 0.00 C ATOM 1471 C ASP A 99 0.630 -0.894 3.133 1.00 0.00 C ATOM 1472 O ASP A 99 0.285 0.141 2.536 1.00 0.00 O ATOM 1473 CB ASP A 99 2.836 -0.740 4.354 1.00 0.00 C ATOM 1474 CG ASP A 99 3.753 -1.765 5.013 1.00 0.00 C ATOM 1475 OD1 ASP A 99 3.274 -2.499 5.911 1.00 0.00 O ATOM 1476 OD2 ASP A 99 4.953 -1.786 4.675 1.00 0.00 O ATOM 0 H ASP A 99 3.621 -0.396 1.999 1.00 0.00 H new ATOM 0 HA ASP A 99 2.180 -2.408 3.195 1.00 0.00 H new ATOM 0 HB2 ASP A 99 3.421 0.128 4.049 1.00 0.00 H new ATOM 0 HB3 ASP A 99 2.102 -0.390 5.080 1.00 0.00 H new ATOM 1481 N PRO A 100 -0.260 -1.669 3.773 1.00 0.00 N ATOM 1482 CA PRO A 100 -1.671 -1.346 3.808 1.00 0.00 C ATOM 1483 C PRO A 100 -1.863 -0.088 4.654 1.00 0.00 C ATOM 1484 O PRO A 100 -1.364 0.010 5.780 1.00 0.00 O ATOM 1485 CB PRO A 100 -2.369 -2.582 4.385 1.00 0.00 C ATOM 1486 CG PRO A 100 -1.291 -3.272 5.217 1.00 0.00 C ATOM 1487 CD PRO A 100 0.016 -2.885 4.522 1.00 0.00 C ATOM 0 HA PRO A 100 -2.096 -1.123 2.829 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.227 -2.304 4.997 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.740 -3.235 3.594 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.308 -2.933 6.253 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.430 -4.353 5.233 1.00 0.00 H new ATOM 0 HD2 PRO A 100 0.809 -2.720 5.251 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.353 -3.681 3.859 1.00 0.00 H new ATOM 1495 N SER A 101 -2.596 0.886 4.117 1.00 0.00 N ATOM 1496 CA SER A 101 -3.132 1.996 4.890 1.00 0.00 C ATOM 1497 C SER A 101 -3.969 1.507 6.092 1.00 0.00 C ATOM 1498 O SER A 101 -4.458 0.372 6.091 1.00 0.00 O ATOM 1499 CB SER A 101 -3.966 2.869 3.944 1.00 0.00 C ATOM 1500 OG SER A 101 -5.069 2.184 3.368 1.00 0.00 O ATOM 0 H SER A 101 -2.834 0.924 3.126 1.00 0.00 H new ATOM 0 HA SER A 101 -2.313 2.579 5.312 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.333 3.737 4.492 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.324 3.243 3.147 1.00 0.00 H new ATOM 0 HG SER A 101 -5.901 2.643 3.608 1.00 0.00 H new ATOM 1506 N PRO A 102 -4.216 2.361 7.094 1.00 0.00 N ATOM 1507 CA PRO A 102 -5.315 2.166 8.032 1.00 0.00 C ATOM 1508 C PRO A 102 -6.641 1.996 7.283 1.00 0.00 C ATOM 1509 O PRO A 102 -6.904 2.765 6.354 1.00 0.00 O ATOM 1510 CB PRO A 102 -5.343 3.450 8.863 1.00 0.00 C ATOM 1511 CG PRO A 102 -3.925 4.002 8.762 1.00 0.00 C ATOM 1512 CD PRO A 102 -3.527 3.614 7.345 1.00 0.00 C ATOM 0 HA PRO A 102 -5.180 1.273 8.642 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.073 4.159 8.473 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.617 3.247 9.898 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -3.897 5.081 8.911 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.262 3.560 9.506 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.824 4.379 6.628 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -2.447 3.496 7.256 1.00 0.00 H new ATOM 1520 N MET A 103 -7.506 1.062 7.701 1.00 0.00 N ATOM 1521 CA MET A 103 -8.858 1.000 7.168 1.00 0.00 C ATOM 1522 C MET A 103 -9.582 2.318 7.427 1.00 0.00 C ATOM 1523 O MET A 103 -9.382 2.955 8.462 1.00 0.00 O ATOM 1524 CB MET A 103 -9.657 -0.143 7.810 1.00 0.00 C ATOM 1525 CG MET A 103 -9.250 -1.521 7.296 1.00 0.00 C ATOM 1526 SD MET A 103 -7.705 -2.212 7.940 1.00 0.00 S ATOM 1527 CE MET A 103 -8.418 -3.327 9.176 1.00 0.00 C ATOM 0 H MET A 103 -7.290 0.350 8.399 1.00 0.00 H new ATOM 0 HA MET A 103 -8.784 0.818 6.096 1.00 0.00 H new ATOM 0 HB2 MET A 103 -9.521 -0.111 8.891 1.00 0.00 H new ATOM 0 HB3 MET A 103 -10.719 0.011 7.617 1.00 0.00 H new ATOM 0 HG2 MET A 103 -10.055 -2.220 7.524 1.00 0.00 H new ATOM 0 HG3 MET A 103 -9.172 -1.468 6.210 1.00 0.00 H new ATOM 0 HE1 MET A 103 -7.618 -3.857 9.693 1.00 0.00 H new ATOM 0 HE2 MET A 103 -8.996 -2.749 9.897 1.00 0.00 H new ATOM 0 HE3 MET A 103 -9.070 -4.048 8.683 1.00 0.00 H new ATOM 1537 N SER A 104 -10.513 2.675 6.550 1.00 0.00 N ATOM 1538 CA SER A 104 -11.305 3.899 6.623 1.00 0.00 C ATOM 1539 C SER A 104 -12.213 4.021 7.838 1.00 0.00 C ATOM 1540 O SER A 104 -12.851 5.061 7.977 1.00 0.00 O ATOM 1541 CB SER A 104 -12.193 3.930 5.370 1.00 0.00 C ATOM 1542 OG SER A 104 -13.067 2.804 5.376 1.00 0.00 O ATOM 0 H SER A 104 -10.746 2.101 5.740 1.00 0.00 H new ATOM 0 HA SER A 104 -10.598 4.725 6.698 1.00 0.00 H new ATOM 0 HB2 SER A 104 -12.772 4.853 5.345 1.00 0.00 H new ATOM 0 HB3 SER A 104 -11.574 3.918 4.473 1.00 0.00 H new ATOM 0 HG SER A 104 -13.756 2.929 6.061 1.00 0.00 H new ATOM 1548 N ASP A 105 -12.300 2.993 8.688 1.00 0.00 N ATOM 1549 CA ASP A 105 -13.346 2.796 9.695 1.00 0.00 C ATOM 1550 C ASP A 105 -14.728 2.599 9.022 1.00 0.00 C ATOM 1551 O ASP A 105 -14.909 2.995 7.864 1.00 0.00 O ATOM 1552 CB ASP A 105 -13.225 3.890 10.773 1.00 0.00 C ATOM 1553 CG ASP A 105 -14.503 4.263 11.521 1.00 0.00 C ATOM 1554 OD1 ASP A 105 -15.278 5.109 11.023 1.00 0.00 O ATOM 1555 OD2 ASP A 105 -14.638 3.833 12.689 1.00 0.00 O ATOM 0 H ASP A 105 -11.611 2.241 8.692 1.00 0.00 H new ATOM 0 HA ASP A 105 -13.217 1.863 10.244 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.485 3.566 11.505 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.832 4.791 10.301 1.00 0.00 H new ATOM 1560 N PRO A 106 -15.654 1.833 9.638 1.00 0.00 N ATOM 1561 CA PRO A 106 -16.834 1.330 8.941 1.00 0.00 C ATOM 1562 C PRO A 106 -17.882 2.423 8.689 1.00 0.00 C ATOM 1563 O PRO A 106 -18.687 2.747 9.573 1.00 0.00 O ATOM 1564 CB PRO A 106 -17.358 0.150 9.767 1.00 0.00 C ATOM 1565 CG PRO A 106 -16.771 0.359 11.154 1.00 0.00 C ATOM 1566 CD PRO A 106 -15.489 1.139 10.908 1.00 0.00 C ATOM 0 HA PRO A 106 -16.579 0.992 7.937 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -18.448 0.139 9.796 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -17.041 -0.802 9.342 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -17.456 0.913 11.796 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -16.569 -0.592 11.648 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -15.308 1.849 11.715 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -14.630 0.469 10.873 1.00 0.00 H new ATOM 1574 N VAL A 107 -17.895 2.970 7.473 1.00 0.00 N ATOM 1575 CA VAL A 107 -18.938 3.890 7.013 1.00 0.00 C ATOM 1576 C VAL A 107 -20.182 3.094 6.652 1.00 0.00 C ATOM 1577 O VAL A 107 -20.068 1.939 6.246 1.00 0.00 O ATOM 1578 CB VAL A 107 -18.440 4.706 5.804 1.00 0.00 C ATOM 1579 CG1 VAL A 107 -18.122 3.874 4.558 1.00 0.00 C ATOM 1580 CG2 VAL A 107 -19.343 5.883 5.422 1.00 0.00 C ATOM 0 H VAL A 107 -17.176 2.786 6.773 1.00 0.00 H new ATOM 0 HA VAL A 107 -19.182 4.591 7.811 1.00 0.00 H new ATOM 0 HB VAL A 107 -17.499 5.112 6.176 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -17.779 4.532 3.759 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -17.341 3.151 4.793 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -19.019 3.347 4.234 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -18.919 6.403 4.563 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -20.336 5.512 5.168 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -19.417 6.573 6.263 1.00 0.00 H new ATOM 1590 N ARG A 108 -21.346 3.735 6.706 1.00 0.00 N ATOM 1591 CA ARG A 108 -22.603 3.246 6.139 1.00 0.00 C ATOM 1592 C ARG A 108 -22.968 4.063 4.904 1.00 0.00 C ATOM 1593 O ARG A 108 -22.672 5.257 4.836 1.00 0.00 O ATOM 1594 CB ARG A 108 -23.721 3.416 7.180 1.00 0.00 C ATOM 1595 CG ARG A 108 -24.939 2.505 6.936 1.00 0.00 C ATOM 1596 CD ARG A 108 -24.866 1.251 7.805 1.00 0.00 C ATOM 1597 NE ARG A 108 -26.189 0.703 8.125 1.00 0.00 N ATOM 1598 CZ ARG A 108 -26.437 -0.368 8.890 1.00 0.00 C ATOM 1599 NH1 ARG A 108 -25.453 -1.044 9.468 1.00 0.00 N ATOM 1600 NH2 ARG A 108 -27.691 -0.756 9.072 1.00 0.00 N ATOM 0 H ARG A 108 -21.445 4.642 7.162 1.00 0.00 H new ATOM 0 HA ARG A 108 -22.488 2.197 5.866 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -23.317 3.209 8.171 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -24.050 4.455 7.180 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -25.856 3.051 7.156 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -24.981 2.221 5.884 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -24.278 0.491 7.290 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -24.342 1.486 8.731 1.00 0.00 H new ATOM 0 HE ARG A 108 -26.996 1.183 7.727 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -24.485 -0.751 9.334 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -25.664 -1.857 10.047 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -28.453 -0.241 8.632 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -27.894 -1.570 9.652 1.00 0.00 H new ATOM 1614 N THR A 109 -23.672 3.471 3.955 1.00 0.00 N ATOM 1615 CA THR A 109 -24.354 4.193 2.890 1.00 0.00 C ATOM 1616 C THR A 109 -25.662 4.824 3.389 1.00 0.00 C ATOM 1617 O THR A 109 -26.164 4.511 4.478 1.00 0.00 O ATOM 1618 CB THR A 109 -24.607 3.199 1.747 1.00 0.00 C ATOM 1619 OG1 THR A 109 -25.010 1.937 2.264 1.00 0.00 O ATOM 1620 CG2 THR A 109 -23.348 2.990 0.899 1.00 0.00 C ATOM 0 H THR A 109 -23.789 2.459 3.900 1.00 0.00 H new ATOM 0 HA THR A 109 -23.736 5.019 2.538 1.00 0.00 H new ATOM 0 HB THR A 109 -25.396 3.622 1.125 1.00 0.00 H new ATOM 0 HG1 THR A 109 -25.104 1.297 1.528 1.00 0.00 H new ATOM 0 HG21 THR A 109 -23.562 2.281 0.099 1.00 0.00 H new ATOM 0 HG22 THR A 109 -23.038 3.942 0.467 1.00 0.00 H new ATOM 0 HG23 THR A 109 -22.547 2.598 1.527 1.00 0.00 H new ATOM 1628 N GLN A 110 -26.242 5.711 2.575 1.00 0.00 N ATOM 1629 CA GLN A 110 -27.591 6.227 2.784 1.00 0.00 C ATOM 1630 C GLN A 110 -28.625 5.183 2.342 1.00 0.00 C ATOM 1631 O GLN A 110 -28.274 4.081 1.913 1.00 0.00 O ATOM 1632 CB GLN A 110 -27.781 7.578 2.071 1.00 0.00 C ATOM 1633 CG GLN A 110 -26.696 8.591 2.473 1.00 0.00 C ATOM 1634 CD GLN A 110 -27.114 10.052 2.293 1.00 0.00 C ATOM 1635 OE1 GLN A 110 -28.219 10.468 2.652 1.00 0.00 O ATOM 1636 NE2 GLN A 110 -26.240 10.886 1.769 1.00 0.00 N ATOM 0 H GLN A 110 -25.782 6.092 1.748 1.00 0.00 H new ATOM 0 HA GLN A 110 -27.742 6.413 3.847 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -27.756 7.427 0.992 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -28.764 7.982 2.313 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -26.428 8.426 3.517 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -25.801 8.404 1.880 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -25.326 10.546 1.471 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -26.477 11.872 1.661 1.00 0.00 H new ATOM 1645 N ASP A 111 -29.907 5.508 2.498 1.00 0.00 N ATOM 1646 CA ASP A 111 -31.018 4.721 1.960 1.00 0.00 C ATOM 1647 C ASP A 111 -31.226 5.077 0.479 1.00 0.00 C ATOM 1648 O ASP A 111 -30.694 6.077 -0.006 1.00 0.00 O ATOM 1649 CB ASP A 111 -32.293 4.969 2.783 1.00 0.00 C ATOM 1650 CG ASP A 111 -33.302 3.828 2.625 1.00 0.00 C ATOM 1651 OD1 ASP A 111 -33.947 3.699 1.563 1.00 0.00 O ATOM 1652 OD2 ASP A 111 -33.445 3.007 3.558 1.00 0.00 O ATOM 0 H ASP A 111 -30.209 6.338 3.009 1.00 0.00 H new ATOM 0 HA ASP A 111 -30.783 3.659 2.029 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -32.031 5.079 3.835 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -32.752 5.906 2.469 1.00 0.00 H new