USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 717 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 32 THR OG1 : rot 112:sc=0.000143 USER MOD Set 1.2: A 34 HIS : no HD1:sc= -0.592 K(o=-0.59,f=-9.4!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.309 K(o=-0.31,f=-3.2!) USER MOD Single : A 26 SER OG : rot 60:sc= 0.0858 USER MOD Single : A 35 SER OG : rot 170:sc= -0.907 USER MOD Single : A 38 GLN : amide:sc= -0.0115 X(o=-0.011,f=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.00187 USER MOD Single : A 57 THR OG1 : rot -2:sc= 0.657 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.502 USER MOD Single : A 62 TYR OH : rot 180:sc= -0.0209 USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.56 USER MOD Single : A 74 SER OG : rot 180:sc=0.000446 USER MOD Single : A 78 MET CE :methyl -114:sc= -9.24! (180deg=-13!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 144:sc= -1.36 (180deg=-3.16!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 147:sc= 0.139 USER MOD Single : A 85 TYR OH : rot -15:sc= 1.32 USER MOD Single : A 86 TYR OH : rot -18:sc= -5.18! USER MOD Single : A 87 SER OG : rot 104:sc= 0.575 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 93 GLN : amide:sc= -0.0838 X(o=-0.084,f=-0.54) USER MOD Single : A 95 ASN : amide:sc= -2.12 K(o=-2.1,f=-0.37) USER MOD Single : A 97 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.58) USER MOD Single : A 103 GLN : amide:sc= -0.288 K(o=-0.29,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 200 N LEU A 17 0.962 7.752 -3.787 1.00 0.00 N ATOM 201 CA LEU A 17 1.118 6.311 -3.694 1.00 0.00 C ATOM 202 C LEU A 17 -0.075 5.629 -4.368 1.00 0.00 C ATOM 203 O LEU A 17 -1.217 6.049 -4.189 1.00 0.00 O ATOM 204 CB LEU A 17 1.327 5.887 -2.239 1.00 0.00 C ATOM 205 CG LEU A 17 1.078 4.410 -1.928 1.00 0.00 C ATOM 206 CD1 LEU A 17 2.341 3.579 -2.167 1.00 0.00 C ATOM 207 CD2 LEU A 17 0.535 4.232 -0.509 1.00 0.00 C ATOM 0 HA LEU A 17 2.013 5.990 -4.227 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.351 6.130 -1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.670 6.486 -1.609 1.00 0.00 H new ATOM 0 HG LEU A 17 0.315 4.041 -2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.137 2.533 -1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.645 3.670 -3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.142 3.941 -1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.367 3.173 -0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.257 4.623 0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.406 4.773 -0.409 1.00 0.00 H new ATOM 219 N VAL A 18 0.231 4.588 -5.128 1.00 0.00 N ATOM 220 CA VAL A 18 -0.801 3.843 -5.829 1.00 0.00 C ATOM 221 C VAL A 18 -0.699 2.363 -5.456 1.00 0.00 C ATOM 222 O VAL A 18 0.297 1.710 -5.763 1.00 0.00 O ATOM 223 CB VAL A 18 -0.693 4.090 -7.335 1.00 0.00 C ATOM 224 CG1 VAL A 18 -1.657 3.189 -8.109 1.00 0.00 C ATOM 225 CG2 VAL A 18 -0.933 5.564 -7.668 1.00 0.00 C ATOM 0 H VAL A 18 1.180 4.243 -5.274 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.791 4.186 -5.528 1.00 0.00 H new ATOM 0 HB VAL A 18 0.322 3.838 -7.644 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.560 3.385 -9.177 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.419 2.144 -7.909 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.680 3.395 -7.794 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.850 5.712 -8.745 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.930 5.854 -7.337 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.189 6.178 -7.159 1.00 0.00 H new ATOM 235 N ILE A 19 -1.742 1.877 -4.800 1.00 0.00 N ATOM 236 CA ILE A 19 -1.782 0.486 -4.383 1.00 0.00 C ATOM 237 C ILE A 19 -2.511 -0.340 -5.445 1.00 0.00 C ATOM 238 O ILE A 19 -3.678 -0.088 -5.739 1.00 0.00 O ATOM 239 CB ILE A 19 -2.390 0.363 -2.984 1.00 0.00 C ATOM 240 CG1 ILE A 19 -1.545 1.112 -1.951 1.00 0.00 C ATOM 241 CG2 ILE A 19 -2.595 -1.104 -2.602 1.00 0.00 C ATOM 242 CD1 ILE A 19 -1.929 0.702 -0.528 1.00 0.00 C ATOM 0 H ILE A 19 -2.566 2.422 -4.547 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.772 0.083 -4.303 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.374 0.832 -2.997 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.488 0.904 -2.121 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.682 2.186 -2.073 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.028 -1.163 -1.603 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.268 -1.576 -3.318 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.635 -1.620 -2.612 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.314 1.249 0.187 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.980 0.933 -0.354 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.767 -0.369 -0.402 1.00 0.00 H new ATOM 254 N ARG A 20 -1.792 -1.310 -5.991 1.00 0.00 N ATOM 255 CA ARG A 20 -2.356 -2.174 -7.013 1.00 0.00 C ATOM 256 C ARG A 20 -2.782 -3.511 -6.403 1.00 0.00 C ATOM 257 O ARG A 20 -1.946 -4.376 -6.148 1.00 0.00 O ATOM 258 CB ARG A 20 -1.347 -2.432 -8.134 1.00 0.00 C ATOM 259 CG ARG A 20 -1.766 -3.633 -8.984 1.00 0.00 C ATOM 260 CD ARG A 20 -0.794 -3.849 -10.146 1.00 0.00 C ATOM 261 NE ARG A 20 -1.093 -5.130 -10.825 1.00 0.00 N ATOM 262 CZ ARG A 20 -0.210 -5.809 -11.569 1.00 0.00 C ATOM 263 NH1 ARG A 20 1.032 -5.335 -11.735 1.00 0.00 N ATOM 264 NH2 ARG A 20 -0.569 -6.964 -12.147 1.00 0.00 N ATOM 0 H ARG A 20 -0.824 -1.516 -5.745 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.226 -1.668 -7.431 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.265 -1.547 -8.765 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.361 -2.611 -7.706 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.800 -4.528 -8.363 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.772 -3.475 -9.372 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.873 -3.025 -10.855 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.232 -3.854 -9.777 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.030 -5.520 -10.720 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.306 -4.457 -11.295 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.704 -5.853 -12.302 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.514 -7.326 -12.020 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.103 -7.481 -12.714 1.00 0.00 H new ATOM 278 N ILE A 21 -4.083 -3.638 -6.186 1.00 0.00 N ATOM 279 CA ILE A 21 -4.631 -4.854 -5.610 1.00 0.00 C ATOM 280 C ILE A 21 -4.674 -5.946 -6.681 1.00 0.00 C ATOM 281 O ILE A 21 -5.228 -5.740 -7.760 1.00 0.00 O ATOM 282 CB ILE A 21 -5.988 -4.576 -4.961 1.00 0.00 C ATOM 283 CG1 ILE A 21 -5.821 -3.801 -3.652 1.00 0.00 C ATOM 284 CG2 ILE A 21 -6.777 -5.872 -4.763 1.00 0.00 C ATOM 285 CD1 ILE A 21 -5.943 -2.295 -3.888 1.00 0.00 C ATOM 0 H ILE A 21 -4.774 -2.918 -6.399 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.989 -5.218 -4.808 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.567 -3.947 -5.637 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.577 -4.123 -2.936 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.849 -4.026 -3.213 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.738 -5.646 -4.300 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.943 -6.348 -5.729 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.213 -6.546 -4.118 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.821 -1.767 -2.942 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.171 -1.972 -4.586 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.925 -2.070 -4.304 1.00 0.00 H new ATOM 297 N LYS A 22 -4.081 -7.083 -6.346 1.00 0.00 N ATOM 298 CA LYS A 22 -4.045 -8.207 -7.266 1.00 0.00 C ATOM 299 C LYS A 22 -5.401 -8.916 -7.252 1.00 0.00 C ATOM 300 O LYS A 22 -5.749 -9.579 -6.275 1.00 0.00 O ATOM 301 CB LYS A 22 -2.867 -9.127 -6.941 1.00 0.00 C ATOM 302 CG LYS A 22 -1.790 -9.042 -8.025 1.00 0.00 C ATOM 303 CD LYS A 22 -2.353 -9.440 -9.390 1.00 0.00 C ATOM 304 CE LYS A 22 -1.532 -10.571 -10.013 1.00 0.00 C ATOM 305 NZ LYS A 22 -2.424 -11.629 -10.538 1.00 0.00 N ATOM 0 H LYS A 22 -3.622 -7.250 -5.451 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.877 -7.860 -8.285 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.440 -8.851 -5.977 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.218 -10.155 -6.851 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.396 -8.027 -8.072 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.957 -9.696 -7.767 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.390 -9.756 -9.281 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.351 -8.576 -10.054 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.912 -10.177 -10.818 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.857 -10.992 -9.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.851 -12.389 -10.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.998 -12.016 -9.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.050 -11.226 -11.264 1.00 0.00 H new ATOM 319 N ILE A 23 -6.130 -8.753 -8.346 1.00 0.00 N ATOM 320 CA ILE A 23 -7.440 -9.369 -8.471 1.00 0.00 C ATOM 321 C ILE A 23 -7.278 -10.803 -8.979 1.00 0.00 C ATOM 322 O ILE A 23 -6.434 -11.072 -9.832 1.00 0.00 O ATOM 323 CB ILE A 23 -8.356 -8.508 -9.344 1.00 0.00 C ATOM 324 CG1 ILE A 23 -8.296 -7.039 -8.919 1.00 0.00 C ATOM 325 CG2 ILE A 23 -9.787 -9.049 -9.337 1.00 0.00 C ATOM 326 CD1 ILE A 23 -9.503 -6.668 -8.056 1.00 0.00 C ATOM 0 H ILE A 23 -5.838 -8.203 -9.154 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.928 -9.428 -7.498 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.997 -8.561 -10.372 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.377 -6.855 -8.363 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.267 -6.402 -9.803 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.417 -8.419 -9.965 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.793 -10.068 -9.724 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.172 -9.046 -8.317 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.435 -5.619 -7.768 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.420 -6.830 -8.623 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.515 -7.290 -7.161 1.00 0.00 H new ATOM 338 N PRO A 24 -8.121 -11.710 -8.417 1.00 0.00 N ATOM 339 CA PRO A 24 -8.079 -13.110 -8.803 1.00 0.00 C ATOM 340 C PRO A 24 -8.716 -13.319 -10.179 1.00 0.00 C ATOM 341 O PRO A 24 -9.901 -13.048 -10.366 1.00 0.00 O ATOM 342 CB PRO A 24 -8.810 -13.847 -7.692 1.00 0.00 C ATOM 343 CG PRO A 24 -9.634 -12.795 -6.967 1.00 0.00 C ATOM 344 CD PRO A 24 -9.133 -11.428 -7.403 1.00 0.00 C ATOM 0 HA PRO A 24 -7.062 -13.486 -8.910 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.448 -14.632 -8.098 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.106 -14.328 -7.013 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.692 -12.908 -7.205 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.536 -12.911 -5.888 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.942 -10.821 -7.809 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.710 -10.875 -6.564 1.00 0.00 H new ATOM 352 N ASN A 25 -7.900 -13.798 -11.106 1.00 0.00 N ATOM 353 CA ASN A 25 -8.368 -14.046 -12.459 1.00 0.00 C ATOM 354 C ASN A 25 -9.309 -12.916 -12.883 1.00 0.00 C ATOM 355 O ASN A 25 -10.526 -13.095 -12.912 1.00 0.00 O ATOM 356 CB ASN A 25 -9.143 -15.363 -12.541 1.00 0.00 C ATOM 357 CG ASN A 25 -8.409 -16.377 -13.420 1.00 0.00 C ATOM 358 OD1 ASN A 25 -7.351 -16.113 -13.967 1.00 0.00 O ATOM 359 ND2 ASN A 25 -9.028 -17.550 -13.525 1.00 0.00 N ATOM 0 H ASN A 25 -6.917 -14.021 -10.947 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.498 -14.099 -13.113 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.277 -15.773 -11.540 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.138 -15.179 -12.945 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.618 -18.294 -14.090 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.912 -17.705 -13.041 1.00 0.00 H new ATOM 366 N SER A 26 -8.710 -11.779 -13.203 1.00 0.00 N ATOM 367 CA SER A 26 -9.479 -10.620 -13.624 1.00 0.00 C ATOM 368 C SER A 26 -8.537 -9.485 -14.028 1.00 0.00 C ATOM 369 O SER A 26 -8.651 -8.939 -15.124 1.00 0.00 O ATOM 370 CB SER A 26 -10.426 -10.155 -12.516 1.00 0.00 C ATOM 371 OG SER A 26 -11.792 -10.392 -12.847 1.00 0.00 O ATOM 0 H SER A 26 -7.700 -11.635 -13.179 1.00 0.00 H new ATOM 0 HA SER A 26 -10.083 -10.905 -14.485 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.182 -10.674 -11.589 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.276 -9.091 -12.334 1.00 0.00 H new ATOM 0 HG SER A 26 -11.933 -11.352 -12.985 1.00 0.00 H new ATOM 377 N GLY A 27 -7.627 -9.163 -13.120 1.00 0.00 N ATOM 378 CA GLY A 27 -6.665 -8.102 -13.368 1.00 0.00 C ATOM 379 C GLY A 27 -6.129 -7.530 -12.054 1.00 0.00 C ATOM 380 O GLY A 27 -5.568 -8.261 -11.238 1.00 0.00 O ATOM 0 H GLY A 27 -7.536 -9.618 -12.212 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.839 -8.488 -13.965 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.135 -7.309 -13.949 1.00 0.00 H new ATOM 384 N ALA A 28 -6.320 -6.230 -11.890 1.00 0.00 N ATOM 385 CA ALA A 28 -5.862 -5.551 -10.689 1.00 0.00 C ATOM 386 C ALA A 28 -6.401 -4.120 -10.681 1.00 0.00 C ATOM 387 O ALA A 28 -6.546 -3.501 -11.734 1.00 0.00 O ATOM 388 CB ALA A 28 -4.334 -5.599 -10.626 1.00 0.00 C ATOM 0 H ALA A 28 -6.786 -5.628 -12.569 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.241 -6.051 -9.797 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.991 -5.090 -9.725 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.003 -6.637 -10.604 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.918 -5.104 -11.504 1.00 0.00 H new ATOM 394 N VAL A 29 -6.684 -3.635 -9.480 1.00 0.00 N ATOM 395 CA VAL A 29 -7.204 -2.288 -9.321 1.00 0.00 C ATOM 396 C VAL A 29 -6.181 -1.436 -8.567 1.00 0.00 C ATOM 397 O VAL A 29 -5.466 -1.940 -7.702 1.00 0.00 O ATOM 398 CB VAL A 29 -8.569 -2.332 -8.631 1.00 0.00 C ATOM 399 CG1 VAL A 29 -9.012 -0.932 -8.200 1.00 0.00 C ATOM 400 CG2 VAL A 29 -9.618 -2.986 -9.532 1.00 0.00 C ATOM 0 H VAL A 29 -6.563 -4.151 -8.609 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.361 -1.822 -10.294 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.471 -2.943 -7.734 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.985 -0.992 -7.712 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.282 -0.518 -7.504 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.085 -0.288 -9.076 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.579 -3.005 -9.018 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.712 -2.414 -10.455 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.312 -4.006 -9.766 1.00 0.00 H new ATOM 410 N ASP A 30 -6.143 -0.161 -8.922 1.00 0.00 N ATOM 411 CA ASP A 30 -5.219 0.765 -8.290 1.00 0.00 C ATOM 412 C ASP A 30 -5.994 1.686 -7.345 1.00 0.00 C ATOM 413 O ASP A 30 -6.912 2.386 -7.769 1.00 0.00 O ATOM 414 CB ASP A 30 -4.517 1.639 -9.331 1.00 0.00 C ATOM 415 CG ASP A 30 -5.319 2.853 -9.804 1.00 0.00 C ATOM 416 OD1 ASP A 30 -6.351 2.625 -10.471 1.00 0.00 O ATOM 417 OD2 ASP A 30 -4.882 3.980 -9.488 1.00 0.00 O ATOM 0 H ASP A 30 -6.738 0.253 -9.640 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.475 0.182 -7.748 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.572 1.987 -8.913 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.275 1.023 -10.197 1.00 0.00 H new ATOM 422 N TRP A 31 -5.594 1.656 -6.082 1.00 0.00 N ATOM 423 CA TRP A 31 -6.239 2.479 -5.073 1.00 0.00 C ATOM 424 C TRP A 31 -5.409 3.753 -4.900 1.00 0.00 C ATOM 425 O TRP A 31 -4.250 3.692 -4.492 1.00 0.00 O ATOM 426 CB TRP A 31 -6.423 1.704 -3.767 1.00 0.00 C ATOM 427 CG TRP A 31 -6.633 2.592 -2.540 1.00 0.00 C ATOM 428 CD1 TRP A 31 -7.230 3.791 -2.481 1.00 0.00 C ATOM 429 CD2 TRP A 31 -6.221 2.302 -1.187 1.00 0.00 C ATOM 430 NE1 TRP A 31 -7.232 4.292 -1.195 1.00 0.00 N ATOM 431 CE2 TRP A 31 -6.599 3.358 -0.384 1.00 0.00 C ATOM 432 CE3 TRP A 31 -5.550 1.184 -0.661 1.00 0.00 C ATOM 433 CZ2 TRP A 31 -6.350 3.401 0.993 1.00 0.00 C ATOM 434 CZ3 TRP A 31 -5.309 1.242 0.717 1.00 0.00 C ATOM 435 CH2 TRP A 31 -5.684 2.298 1.540 1.00 0.00 C ATOM 0 H TRP A 31 -4.831 1.075 -5.735 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.244 2.758 -5.389 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.279 1.037 -3.870 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.547 1.076 -3.603 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -7.656 4.301 -3.333 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -7.626 5.184 -0.895 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.245 0.347 -1.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.655 4.240 1.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -4.796 0.408 1.173 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -5.462 2.267 2.597 1.00 0.00 H new ATOM 446 N THR A 32 -6.034 4.876 -5.220 1.00 0.00 N ATOM 447 CA THR A 32 -5.367 6.162 -5.105 1.00 0.00 C ATOM 448 C THR A 32 -5.073 6.481 -3.638 1.00 0.00 C ATOM 449 O THR A 32 -5.992 6.616 -2.832 1.00 0.00 O ATOM 450 CB THR A 32 -6.243 7.212 -5.791 1.00 0.00 C ATOM 451 OG1 THR A 32 -5.695 8.456 -5.363 1.00 0.00 O ATOM 452 CG2 THR A 32 -7.673 7.228 -5.247 1.00 0.00 C ATOM 0 H THR A 32 -6.995 4.922 -5.559 1.00 0.00 H new ATOM 0 HA THR A 32 -4.398 6.151 -5.603 1.00 0.00 H new ATOM 0 HB THR A 32 -6.265 7.021 -6.864 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.279 8.910 -6.125 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.252 7.991 -5.768 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.133 6.253 -5.405 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.654 7.452 -4.180 1.00 0.00 H new ATOM 460 N VAL A 33 -3.787 6.593 -3.337 1.00 0.00 N ATOM 461 CA VAL A 33 -3.360 6.894 -1.981 1.00 0.00 C ATOM 462 C VAL A 33 -2.434 8.112 -2.001 1.00 0.00 C ATOM 463 O VAL A 33 -1.394 8.094 -2.657 1.00 0.00 O ATOM 464 CB VAL A 33 -2.712 5.660 -1.351 1.00 0.00 C ATOM 465 CG1 VAL A 33 -2.280 5.943 0.090 1.00 0.00 C ATOM 466 CG2 VAL A 33 -3.651 4.454 -1.415 1.00 0.00 C ATOM 0 H VAL A 33 -3.028 6.481 -4.009 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.217 7.148 -1.358 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.819 5.420 -1.928 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.822 5.050 0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.558 6.760 0.100 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.151 6.221 0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.166 3.590 -0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.570 4.680 -0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.887 4.231 -2.456 1.00 0.00 H new ATOM 476 N HIS A 34 -2.845 9.140 -1.274 1.00 0.00 N ATOM 477 CA HIS A 34 -2.065 10.364 -1.200 1.00 0.00 C ATOM 478 C HIS A 34 -1.400 10.466 0.174 1.00 0.00 C ATOM 479 O HIS A 34 -0.353 11.096 0.315 1.00 0.00 O ATOM 480 CB HIS A 34 -2.931 11.581 -1.531 1.00 0.00 C ATOM 481 CG HIS A 34 -3.779 11.413 -2.769 1.00 0.00 C ATOM 482 ND1 HIS A 34 -3.833 12.361 -3.775 1.00 0.00 N ATOM 483 CD2 HIS A 34 -4.605 10.397 -3.153 1.00 0.00 C ATOM 484 CE1 HIS A 34 -4.658 11.926 -4.717 1.00 0.00 C ATOM 485 NE2 HIS A 34 -5.135 10.709 -4.329 1.00 0.00 N ATOM 0 H HIS A 34 -3.708 9.151 -0.731 1.00 0.00 H new ATOM 0 HA HIS A 34 -1.273 10.340 -1.948 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -3.582 11.792 -0.683 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.285 12.449 -1.661 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.795 9.492 -2.595 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.908 12.444 -5.631 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -5.791 10.133 -4.856 1.00 0.00 H new ATOM 493 N SER A 35 -2.035 9.837 1.152 1.00 0.00 N ATOM 494 CA SER A 35 -1.518 9.849 2.510 1.00 0.00 C ATOM 495 C SER A 35 -0.680 8.594 2.762 1.00 0.00 C ATOM 496 O SER A 35 -0.856 7.919 3.774 1.00 0.00 O ATOM 497 CB SER A 35 -2.653 9.943 3.531 1.00 0.00 C ATOM 498 OG SER A 35 -2.768 11.252 4.083 1.00 0.00 O ATOM 0 H SER A 35 -2.903 9.316 1.031 1.00 0.00 H new ATOM 0 HA SER A 35 -0.886 10.730 2.627 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.593 9.667 3.054 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.480 9.225 4.333 1.00 0.00 H new ATOM 0 HG SER A 35 -3.596 11.316 4.604 1.00 0.00 H new ATOM 504 N GLY A 36 0.214 8.321 1.823 1.00 0.00 N ATOM 505 CA GLY A 36 1.080 7.159 1.931 1.00 0.00 C ATOM 506 C GLY A 36 1.568 6.970 3.369 1.00 0.00 C ATOM 507 O GLY A 36 1.441 5.885 3.934 1.00 0.00 O ATOM 0 H GLY A 36 0.357 8.884 0.985 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.542 6.269 1.606 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.935 7.275 1.265 1.00 0.00 H new ATOM 511 N PRO A 37 2.131 8.071 3.934 1.00 0.00 N ATOM 512 CA PRO A 37 2.639 8.037 5.295 1.00 0.00 C ATOM 513 C PRO A 37 1.493 8.061 6.308 1.00 0.00 C ATOM 514 O PRO A 37 1.571 7.418 7.354 1.00 0.00 O ATOM 515 CB PRO A 37 3.553 9.247 5.404 1.00 0.00 C ATOM 516 CG PRO A 37 3.164 10.168 4.259 1.00 0.00 C ATOM 517 CD PRO A 37 2.299 9.373 3.295 1.00 0.00 C ATOM 0 HA PRO A 37 3.185 7.120 5.518 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.428 9.745 6.365 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.600 8.953 5.330 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.620 11.035 4.634 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.053 10.544 3.753 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.338 9.861 3.131 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.778 9.277 2.321 1.00 0.00 H new ATOM 525 N GLN A 38 0.455 8.808 5.962 1.00 0.00 N ATOM 526 CA GLN A 38 -0.706 8.923 6.829 1.00 0.00 C ATOM 527 C GLN A 38 -1.721 7.825 6.506 1.00 0.00 C ATOM 528 O GLN A 38 -2.927 8.064 6.526 1.00 0.00 O ATOM 529 CB GLN A 38 -1.342 10.310 6.711 1.00 0.00 C ATOM 530 CG GLN A 38 -1.906 10.770 8.057 1.00 0.00 C ATOM 531 CD GLN A 38 -1.592 12.247 8.307 1.00 0.00 C ATOM 532 OE1 GLN A 38 -1.862 13.112 7.490 1.00 0.00 O ATOM 533 NE2 GLN A 38 -1.009 12.485 9.478 1.00 0.00 N ATOM 0 H GLN A 38 0.393 9.339 5.094 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.379 8.795 7.861 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.599 11.026 6.360 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.139 10.287 5.967 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.985 10.616 8.075 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.484 10.164 8.859 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.811 11.714 10.115 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.760 13.439 9.739 1.00 0.00 H new ATOM 542 N LEU A 39 -1.195 6.644 6.214 1.00 0.00 N ATOM 543 CA LEU A 39 -2.040 5.509 5.887 1.00 0.00 C ATOM 544 C LEU A 39 -1.971 4.484 7.021 1.00 0.00 C ATOM 545 O LEU A 39 -0.935 4.337 7.668 1.00 0.00 O ATOM 546 CB LEU A 39 -1.664 4.938 4.518 1.00 0.00 C ATOM 547 CG LEU A 39 -2.560 3.815 3.991 1.00 0.00 C ATOM 548 CD1 LEU A 39 -3.917 4.362 3.542 1.00 0.00 C ATOM 549 CD2 LEU A 39 -1.861 3.033 2.877 1.00 0.00 C ATOM 0 H LEU A 39 -0.194 6.449 6.197 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.081 5.821 5.802 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.670 5.752 3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.641 4.566 4.570 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.747 3.116 4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.535 3.544 3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.415 4.839 4.386 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.770 5.093 2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.519 2.241 2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.624 3.706 2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.941 2.594 3.263 1.00 0.00 H new ATOM 561 N LEU A 40 -3.087 3.800 7.227 1.00 0.00 N ATOM 562 CA LEU A 40 -3.166 2.793 8.271 1.00 0.00 C ATOM 563 C LEU A 40 -3.484 1.436 7.641 1.00 0.00 C ATOM 564 O LEU A 40 -3.962 1.369 6.510 1.00 0.00 O ATOM 565 CB LEU A 40 -4.162 3.218 9.351 1.00 0.00 C ATOM 566 CG LEU A 40 -3.740 4.401 10.226 1.00 0.00 C ATOM 567 CD1 LEU A 40 -4.893 4.862 11.119 1.00 0.00 C ATOM 568 CD2 LEU A 40 -2.486 4.063 11.036 1.00 0.00 C ATOM 0 H LEU A 40 -3.944 3.924 6.688 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.206 2.693 8.777 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.107 3.468 8.868 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.352 2.362 9.999 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.486 5.236 9.573 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.566 5.703 11.730 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.734 5.170 10.498 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.202 4.042 11.767 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.207 4.920 11.649 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.688 3.207 11.679 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.668 3.821 10.357 1.00 0.00 H new ATOM 580 N PHE A 41 -3.206 0.387 8.402 1.00 0.00 N ATOM 581 CA PHE A 41 -3.457 -0.965 7.932 1.00 0.00 C ATOM 582 C PHE A 41 -4.949 -1.190 7.678 1.00 0.00 C ATOM 583 O PHE A 41 -5.327 -1.787 6.672 1.00 0.00 O ATOM 584 CB PHE A 41 -2.991 -1.916 9.037 1.00 0.00 C ATOM 585 CG PHE A 41 -3.182 -3.397 8.705 1.00 0.00 C ATOM 586 CD1 PHE A 41 -2.551 -3.939 7.628 1.00 0.00 C ATOM 587 CD2 PHE A 41 -3.982 -4.172 9.485 1.00 0.00 C ATOM 588 CE1 PHE A 41 -2.728 -5.314 7.320 1.00 0.00 C ATOM 589 CE2 PHE A 41 -4.159 -5.546 9.177 1.00 0.00 C ATOM 590 CZ PHE A 41 -3.528 -6.089 8.101 1.00 0.00 C ATOM 0 H PHE A 41 -2.810 0.446 9.340 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.927 -1.137 6.995 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.936 -1.733 9.239 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.535 -1.686 9.953 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.916 -3.324 7.008 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.483 -3.742 10.339 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.227 -5.745 6.465 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.795 -6.161 9.797 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.662 -7.135 7.867 1.00 0.00 H new ATOM 600 N ARG A 42 -5.755 -0.699 8.607 1.00 0.00 N ATOM 601 CA ARG A 42 -7.197 -0.838 8.496 1.00 0.00 C ATOM 602 C ARG A 42 -7.699 -0.166 7.217 1.00 0.00 C ATOM 603 O ARG A 42 -8.505 -0.738 6.486 1.00 0.00 O ATOM 604 CB ARG A 42 -7.905 -0.217 9.702 1.00 0.00 C ATOM 605 CG ARG A 42 -7.384 -0.813 11.011 1.00 0.00 C ATOM 606 CD ARG A 42 -7.695 -2.309 11.094 1.00 0.00 C ATOM 607 NE ARG A 42 -8.106 -2.665 12.471 1.00 0.00 N ATOM 608 CZ ARG A 42 -8.785 -3.776 12.789 1.00 0.00 C ATOM 609 NH1 ARG A 42 -9.133 -4.646 11.831 1.00 0.00 N ATOM 610 NH2 ARG A 42 -9.115 -4.017 14.065 1.00 0.00 N ATOM 0 H ARG A 42 -5.437 -0.204 9.440 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.425 -1.903 8.464 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.751 0.862 9.703 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.979 -0.385 9.624 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.308 -0.657 11.083 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.838 -0.296 11.856 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.489 -2.563 10.392 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.817 -2.888 10.806 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.857 -2.025 13.225 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.881 -4.463 10.860 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.650 -5.491 12.073 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.850 -3.355 14.794 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.632 -4.862 14.307 1.00 0.00 H new ATOM 624 N ASP A 43 -7.200 1.040 6.985 1.00 0.00 N ATOM 625 CA ASP A 43 -7.587 1.796 5.806 1.00 0.00 C ATOM 626 C ASP A 43 -7.522 0.886 4.578 1.00 0.00 C ATOM 627 O ASP A 43 -8.458 0.847 3.780 1.00 0.00 O ATOM 628 CB ASP A 43 -6.640 2.974 5.572 1.00 0.00 C ATOM 629 CG ASP A 43 -7.035 4.272 6.280 1.00 0.00 C ATOM 630 OD1 ASP A 43 -7.789 5.051 5.657 1.00 0.00 O ATOM 631 OD2 ASP A 43 -6.575 4.456 7.427 1.00 0.00 O ATOM 0 H ASP A 43 -6.531 1.512 7.594 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.598 2.172 5.963 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.641 2.688 5.901 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.581 3.166 4.501 1.00 0.00 H new ATOM 636 N VAL A 44 -6.409 0.177 4.465 1.00 0.00 N ATOM 637 CA VAL A 44 -6.210 -0.730 3.347 1.00 0.00 C ATOM 638 C VAL A 44 -7.353 -1.747 3.311 1.00 0.00 C ATOM 639 O VAL A 44 -8.035 -1.883 2.296 1.00 0.00 O ATOM 640 CB VAL A 44 -4.831 -1.385 3.443 1.00 0.00 C ATOM 641 CG1 VAL A 44 -4.628 -2.404 2.320 1.00 0.00 C ATOM 642 CG2 VAL A 44 -3.722 -0.331 3.434 1.00 0.00 C ATOM 0 H VAL A 44 -5.635 0.212 5.129 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.231 -0.183 2.404 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.779 -1.918 4.392 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.640 -2.855 2.412 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.389 -3.181 2.392 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.710 -1.903 1.355 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.752 -0.823 3.503 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.773 0.243 2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.850 0.339 4.284 1.00 0.00 H new ATOM 652 N LEU A 45 -7.527 -2.434 4.430 1.00 0.00 N ATOM 653 CA LEU A 45 -8.575 -3.434 4.540 1.00 0.00 C ATOM 654 C LEU A 45 -9.929 -2.779 4.259 1.00 0.00 C ATOM 655 O LEU A 45 -10.812 -3.400 3.668 1.00 0.00 O ATOM 656 CB LEU A 45 -8.503 -4.140 5.895 1.00 0.00 C ATOM 657 CG LEU A 45 -7.290 -5.047 6.115 1.00 0.00 C ATOM 658 CD1 LEU A 45 -6.850 -5.701 4.803 1.00 0.00 C ATOM 659 CD2 LEU A 45 -6.148 -4.283 6.786 1.00 0.00 C ATOM 0 H LEU A 45 -6.959 -2.318 5.269 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.436 -4.215 3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.512 -3.382 6.678 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.406 -4.738 6.020 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.582 -5.849 6.793 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.986 -6.340 4.987 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.667 -6.301 4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.582 -4.928 4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.299 -4.951 6.931 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.849 -3.447 6.154 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.481 -3.906 7.753 1.00 0.00 H new ATOM 671 N ASP A 46 -10.051 -1.534 4.695 1.00 0.00 N ATOM 672 CA ASP A 46 -11.283 -0.789 4.498 1.00 0.00 C ATOM 673 C ASP A 46 -11.496 -0.552 3.002 1.00 0.00 C ATOM 674 O ASP A 46 -12.633 -0.495 2.535 1.00 0.00 O ATOM 675 CB ASP A 46 -11.218 0.575 5.189 1.00 0.00 C ATOM 676 CG ASP A 46 -11.860 0.628 6.577 1.00 0.00 C ATOM 677 OD1 ASP A 46 -11.399 -0.143 7.445 1.00 0.00 O ATOM 678 OD2 ASP A 46 -12.797 1.439 6.737 1.00 0.00 O ATOM 0 H ASP A 46 -9.317 -1.022 5.184 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.101 -1.370 4.924 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.173 0.871 5.277 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.706 1.312 4.551 1.00 0.00 H new ATOM 683 N VAL A 47 -10.386 -0.420 2.292 1.00 0.00 N ATOM 684 CA VAL A 47 -10.437 -0.190 0.858 1.00 0.00 C ATOM 685 C VAL A 47 -10.623 -1.527 0.138 1.00 0.00 C ATOM 686 O VAL A 47 -11.578 -1.701 -0.617 1.00 0.00 O ATOM 687 CB VAL A 47 -9.186 0.565 0.404 1.00 0.00 C ATOM 688 CG1 VAL A 47 -9.092 0.602 -1.123 1.00 0.00 C ATOM 689 CG2 VAL A 47 -9.155 1.978 0.990 1.00 0.00 C ATOM 0 H VAL A 47 -9.445 -0.468 2.683 1.00 0.00 H new ATOM 0 HA VAL A 47 -11.290 0.439 0.602 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.315 0.028 0.780 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.194 1.144 -1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.045 -0.416 -1.509 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.970 1.104 -1.530 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.256 2.493 0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.035 2.529 0.658 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.152 1.920 2.078 1.00 0.00 H new ATOM 699 N ILE A 48 -9.695 -2.436 0.397 1.00 0.00 N ATOM 700 CA ILE A 48 -9.745 -3.752 -0.217 1.00 0.00 C ATOM 701 C ILE A 48 -11.176 -4.288 -0.149 1.00 0.00 C ATOM 702 O ILE A 48 -11.682 -4.844 -1.123 1.00 0.00 O ATOM 703 CB ILE A 48 -8.709 -4.681 0.420 1.00 0.00 C ATOM 704 CG1 ILE A 48 -7.293 -4.310 -0.024 1.00 0.00 C ATOM 705 CG2 ILE A 48 -9.036 -6.147 0.131 1.00 0.00 C ATOM 706 CD1 ILE A 48 -6.251 -5.172 0.691 1.00 0.00 C ATOM 0 H ILE A 48 -8.904 -2.287 1.024 1.00 0.00 H new ATOM 0 HA ILE A 48 -9.477 -3.690 -1.272 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.751 -4.550 1.501 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.200 -4.440 -1.102 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.106 -3.257 0.187 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.284 -6.786 0.595 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -10.018 -6.388 0.538 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -9.039 -6.314 -0.946 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.253 -4.888 0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.330 -5.021 1.768 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.426 -6.222 0.458 1.00 0.00 H new ATOM 718 N GLY A 49 -11.789 -4.102 1.011 1.00 0.00 N ATOM 719 CA GLY A 49 -13.153 -4.560 1.218 1.00 0.00 C ATOM 720 C GLY A 49 -14.053 -4.149 0.051 1.00 0.00 C ATOM 721 O GLY A 49 -15.078 -4.781 -0.198 1.00 0.00 O ATOM 0 H GLY A 49 -11.367 -3.641 1.817 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.164 -5.645 1.326 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.543 -4.144 2.147 1.00 0.00 H new ATOM 725 N GLN A 50 -13.637 -3.093 -0.632 1.00 0.00 N ATOM 726 CA GLN A 50 -14.393 -2.591 -1.767 1.00 0.00 C ATOM 727 C GLN A 50 -14.002 -3.344 -3.040 1.00 0.00 C ATOM 728 O GLN A 50 -14.833 -3.550 -3.923 1.00 0.00 O ATOM 729 CB GLN A 50 -14.190 -1.084 -1.937 1.00 0.00 C ATOM 730 CG GLN A 50 -14.654 -0.324 -0.693 1.00 0.00 C ATOM 731 CD GLN A 50 -15.664 0.764 -1.060 1.00 0.00 C ATOM 732 OE1 GLN A 50 -16.788 0.497 -1.452 1.00 0.00 O ATOM 733 NE2 GLN A 50 -15.203 2.003 -0.912 1.00 0.00 N ATOM 0 H GLN A 50 -12.786 -2.571 -0.421 1.00 0.00 H new ATOM 0 HA GLN A 50 -15.453 -2.763 -1.578 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -13.137 -0.874 -2.124 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -14.744 -0.735 -2.808 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -15.105 -1.019 0.015 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -13.795 0.126 -0.196 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.251 2.157 -0.579 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.801 2.799 -1.131 1.00 0.00 H new ATOM 742 N VAL A 51 -12.737 -3.734 -3.094 1.00 0.00 N ATOM 743 CA VAL A 51 -12.226 -4.460 -4.245 1.00 0.00 C ATOM 744 C VAL A 51 -12.744 -5.899 -4.205 1.00 0.00 C ATOM 745 O VAL A 51 -13.275 -6.399 -5.195 1.00 0.00 O ATOM 746 CB VAL A 51 -10.699 -4.375 -4.282 1.00 0.00 C ATOM 747 CG1 VAL A 51 -10.148 -4.970 -5.579 1.00 0.00 C ATOM 748 CG2 VAL A 51 -10.226 -2.931 -4.096 1.00 0.00 C ATOM 0 H VAL A 51 -12.051 -3.561 -2.360 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.585 -4.010 -5.171 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.310 -4.965 -3.452 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.060 -4.897 -5.580 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.441 -6.017 -5.652 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.549 -4.420 -6.431 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.137 -2.898 -4.126 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.630 -2.310 -4.895 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.574 -2.555 -3.134 1.00 0.00 H new ATOM 758 N LEU A 52 -12.570 -6.525 -3.050 1.00 0.00 N ATOM 759 CA LEU A 52 -13.013 -7.897 -2.868 1.00 0.00 C ATOM 760 C LEU A 52 -14.026 -7.954 -1.723 1.00 0.00 C ATOM 761 O LEU A 52 -13.689 -8.360 -0.612 1.00 0.00 O ATOM 762 CB LEU A 52 -11.813 -8.826 -2.675 1.00 0.00 C ATOM 763 CG LEU A 52 -10.943 -9.065 -3.911 1.00 0.00 C ATOM 764 CD1 LEU A 52 -9.985 -7.895 -4.142 1.00 0.00 C ATOM 765 CD2 LEU A 52 -10.203 -10.401 -3.811 1.00 0.00 C ATOM 0 H LEU A 52 -12.128 -6.107 -2.231 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.523 -8.255 -3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.183 -8.414 -1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.178 -9.790 -2.321 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.596 -9.123 -4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.379 -8.090 -5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.558 -6.980 -4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.335 -7.780 -3.275 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.592 -10.546 -4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.563 -10.397 -2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.926 -11.212 -3.731 1.00 0.00 H new ATOM 777 N PRO A 53 -15.278 -7.530 -2.042 1.00 0.00 N ATOM 778 CA PRO A 53 -16.342 -7.529 -1.052 1.00 0.00 C ATOM 779 C PRO A 53 -16.851 -8.949 -0.793 1.00 0.00 C ATOM 780 O PRO A 53 -17.457 -9.215 0.244 1.00 0.00 O ATOM 781 CB PRO A 53 -17.410 -6.611 -1.624 1.00 0.00 C ATOM 782 CG PRO A 53 -17.113 -6.501 -3.110 1.00 0.00 C ATOM 783 CD PRO A 53 -15.713 -7.043 -3.347 1.00 0.00 C ATOM 0 HA PRO A 53 -16.009 -7.173 -0.077 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -18.407 -7.018 -1.454 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.380 -5.632 -1.146 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -17.844 -7.066 -3.688 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -17.181 -5.463 -3.437 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.718 -7.844 -4.087 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -15.046 -6.267 -3.722 1.00 0.00 H new ATOM 791 N GLU A 54 -16.586 -9.823 -1.753 1.00 0.00 N ATOM 792 CA GLU A 54 -17.010 -11.208 -1.641 1.00 0.00 C ATOM 793 C GLU A 54 -15.837 -12.088 -1.203 1.00 0.00 C ATOM 794 O GLU A 54 -16.014 -13.276 -0.936 1.00 0.00 O ATOM 795 CB GLU A 54 -17.607 -11.707 -2.959 1.00 0.00 C ATOM 796 CG GLU A 54 -17.326 -13.198 -3.158 1.00 0.00 C ATOM 797 CD GLU A 54 -17.984 -13.712 -4.441 1.00 0.00 C ATOM 798 OE1 GLU A 54 -17.393 -13.474 -5.516 1.00 0.00 O ATOM 799 OE2 GLU A 54 -19.061 -14.333 -4.316 1.00 0.00 O ATOM 0 H GLU A 54 -16.083 -9.599 -2.612 1.00 0.00 H new ATOM 0 HA GLU A 54 -17.789 -11.269 -0.881 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -18.683 -11.532 -2.964 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -17.188 -11.140 -3.790 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -16.250 -13.366 -3.204 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -17.700 -13.760 -2.302 1.00 0.00 H new ATOM 806 N ALA A 55 -14.666 -11.471 -1.141 1.00 0.00 N ATOM 807 CA ALA A 55 -13.465 -12.183 -0.740 1.00 0.00 C ATOM 808 C ALA A 55 -12.761 -11.400 0.370 1.00 0.00 C ATOM 809 O ALA A 55 -12.209 -10.329 0.124 1.00 0.00 O ATOM 810 CB ALA A 55 -12.568 -12.400 -1.960 1.00 0.00 C ATOM 0 H ALA A 55 -14.524 -10.485 -1.362 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.716 -13.166 -0.342 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.667 -12.934 -1.659 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.105 -12.986 -2.707 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.292 -11.435 -2.385 1.00 0.00 H new ATOM 816 N THR A 56 -12.802 -11.966 1.567 1.00 0.00 N ATOM 817 CA THR A 56 -12.174 -11.334 2.715 1.00 0.00 C ATOM 818 C THR A 56 -10.693 -11.069 2.435 1.00 0.00 C ATOM 819 O THR A 56 -10.172 -11.474 1.397 1.00 0.00 O ATOM 820 CB THR A 56 -12.411 -12.228 3.935 1.00 0.00 C ATOM 821 OG1 THR A 56 -13.830 -12.339 4.013 1.00 0.00 O ATOM 822 CG2 THR A 56 -12.017 -11.545 5.246 1.00 0.00 C ATOM 0 H THR A 56 -13.260 -12.855 1.767 1.00 0.00 H new ATOM 0 HA THR A 56 -12.614 -10.358 2.918 1.00 0.00 H new ATOM 0 HB THR A 56 -11.845 -13.153 3.824 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.072 -12.904 4.776 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.205 -12.222 6.080 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.958 -11.288 5.219 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.607 -10.638 5.375 1.00 0.00 H new ATOM 830 N THR A 57 -10.058 -10.391 3.379 1.00 0.00 N ATOM 831 CA THR A 57 -8.647 -10.067 3.246 1.00 0.00 C ATOM 832 C THR A 57 -7.989 -9.978 4.625 1.00 0.00 C ATOM 833 O THR A 57 -7.350 -10.929 5.074 1.00 0.00 O ATOM 834 CB THR A 57 -8.533 -8.776 2.434 1.00 0.00 C ATOM 835 OG1 THR A 57 -8.857 -9.172 1.104 1.00 0.00 O ATOM 836 CG2 THR A 57 -7.091 -8.274 2.332 1.00 0.00 C ATOM 0 H THR A 57 -10.494 -10.057 4.239 1.00 0.00 H new ATOM 0 HA THR A 57 -8.109 -10.851 2.713 1.00 0.00 H new ATOM 0 HB THR A 57 -9.155 -8.005 2.889 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.017 -10.139 1.080 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.066 -7.355 1.746 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.703 -8.077 3.331 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.476 -9.031 1.846 1.00 0.00 H new ATOM 844 N THR A 58 -8.167 -8.828 5.257 1.00 0.00 N ATOM 845 CA THR A 58 -7.598 -8.603 6.575 1.00 0.00 C ATOM 846 C THR A 58 -6.119 -8.230 6.461 1.00 0.00 C ATOM 847 O THR A 58 -5.683 -7.226 7.021 1.00 0.00 O ATOM 848 CB THR A 58 -7.846 -9.856 7.418 1.00 0.00 C ATOM 849 OG1 THR A 58 -9.159 -10.268 7.048 1.00 0.00 O ATOM 850 CG2 THR A 58 -7.960 -9.544 8.911 1.00 0.00 C ATOM 0 H THR A 58 -8.697 -8.042 4.881 1.00 0.00 H new ATOM 0 HA THR A 58 -8.076 -7.759 7.073 1.00 0.00 H new ATOM 0 HB THR A 58 -7.037 -10.568 7.257 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.401 -11.076 7.546 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.136 -10.467 9.463 1.00 0.00 H new ATOM 0 HG22 THR A 58 -7.035 -9.084 9.258 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.791 -8.858 9.077 1.00 0.00 H new ATOM 858 N ALA A 59 -5.387 -9.060 5.732 1.00 0.00 N ATOM 859 CA ALA A 59 -3.966 -8.831 5.537 1.00 0.00 C ATOM 860 C ALA A 59 -3.644 -8.892 4.042 1.00 0.00 C ATOM 861 O ALA A 59 -4.467 -9.337 3.244 1.00 0.00 O ATOM 862 CB ALA A 59 -3.168 -9.853 6.347 1.00 0.00 C ATOM 0 H ALA A 59 -5.752 -9.892 5.269 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.685 -7.841 5.895 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.102 -9.681 6.200 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.410 -9.748 7.405 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.422 -10.859 6.014 1.00 0.00 H new ATOM 868 N PHE A 60 -2.445 -8.438 3.708 1.00 0.00 N ATOM 869 CA PHE A 60 -2.004 -8.435 2.324 1.00 0.00 C ATOM 870 C PHE A 60 -0.485 -8.588 2.232 1.00 0.00 C ATOM 871 O PHE A 60 0.227 -8.348 3.206 1.00 0.00 O ATOM 872 CB PHE A 60 -2.406 -7.084 1.729 1.00 0.00 C ATOM 873 CG PHE A 60 -2.112 -5.891 2.640 1.00 0.00 C ATOM 874 CD1 PHE A 60 -3.033 -5.492 3.557 1.00 0.00 C ATOM 875 CD2 PHE A 60 -0.929 -5.229 2.532 1.00 0.00 C ATOM 876 CE1 PHE A 60 -2.760 -4.384 4.402 1.00 0.00 C ATOM 877 CE2 PHE A 60 -0.655 -4.121 3.377 1.00 0.00 C ATOM 878 CZ PHE A 60 -1.576 -3.722 4.294 1.00 0.00 C ATOM 0 H PHE A 60 -1.765 -8.069 4.373 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.459 -9.267 1.787 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -1.881 -6.944 0.784 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.472 -7.101 1.502 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.972 -6.018 3.643 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.198 -5.546 1.803 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.492 -4.067 5.130 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.285 -3.596 3.291 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.368 -2.879 4.937 1.00 0.00 H new ATOM 888 N GLU A 61 -0.032 -8.985 1.052 1.00 0.00 N ATOM 889 CA GLU A 61 1.390 -9.172 0.820 1.00 0.00 C ATOM 890 C GLU A 61 1.892 -8.178 -0.229 1.00 0.00 C ATOM 891 O GLU A 61 1.112 -7.675 -1.036 1.00 0.00 O ATOM 892 CB GLU A 61 1.692 -10.612 0.400 1.00 0.00 C ATOM 893 CG GLU A 61 1.437 -11.585 1.553 1.00 0.00 C ATOM 894 CD GLU A 61 2.170 -12.909 1.327 1.00 0.00 C ATOM 895 OE1 GLU A 61 3.419 -12.874 1.338 1.00 0.00 O ATOM 896 OE2 GLU A 61 1.464 -13.925 1.148 1.00 0.00 O ATOM 0 H GLU A 61 -0.625 -9.182 0.246 1.00 0.00 H new ATOM 0 HA GLU A 61 1.919 -8.982 1.754 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.071 -10.883 -0.454 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.730 -10.690 0.076 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.768 -11.138 2.490 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.367 -11.769 1.648 1.00 0.00 H new ATOM 903 N TYR A 62 3.192 -7.925 -0.184 1.00 0.00 N ATOM 904 CA TYR A 62 3.807 -7.000 -1.121 1.00 0.00 C ATOM 905 C TYR A 62 5.244 -7.419 -1.440 1.00 0.00 C ATOM 906 O TYR A 62 6.044 -7.645 -0.534 1.00 0.00 O ATOM 907 CB TYR A 62 3.828 -5.641 -0.419 1.00 0.00 C ATOM 908 CG TYR A 62 5.049 -5.422 0.477 1.00 0.00 C ATOM 909 CD1 TYR A 62 6.281 -5.159 -0.088 1.00 0.00 C ATOM 910 CD2 TYR A 62 4.919 -5.489 1.849 1.00 0.00 C ATOM 911 CE1 TYR A 62 7.430 -4.953 0.756 1.00 0.00 C ATOM 912 CE2 TYR A 62 6.068 -5.283 2.692 1.00 0.00 C ATOM 913 CZ TYR A 62 7.267 -5.025 2.104 1.00 0.00 C ATOM 914 OH TYR A 62 8.352 -4.831 2.900 1.00 0.00 O ATOM 0 H TYR A 62 3.836 -8.344 0.487 1.00 0.00 H new ATOM 0 HA TYR A 62 3.252 -6.977 -2.059 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.797 -4.854 -1.172 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.925 -5.541 0.184 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.383 -5.108 -1.162 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.955 -5.696 2.291 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.400 -4.746 0.328 1.00 0.00 H new ATOM 0 HE2 TYR A 62 5.980 -5.332 3.767 1.00 0.00 H new ATOM 0 HH TYR A 62 8.087 -4.911 3.840 1.00 0.00 H new ATOM 924 N GLU A 63 5.527 -7.508 -2.732 1.00 0.00 N ATOM 925 CA GLU A 63 6.853 -7.895 -3.182 1.00 0.00 C ATOM 926 C GLU A 63 7.888 -6.862 -2.733 1.00 0.00 C ATOM 927 O GLU A 63 7.668 -5.659 -2.864 1.00 0.00 O ATOM 928 CB GLU A 63 6.884 -8.078 -4.701 1.00 0.00 C ATOM 929 CG GLU A 63 7.080 -9.549 -5.072 1.00 0.00 C ATOM 930 CD GLU A 63 7.357 -9.705 -6.568 1.00 0.00 C ATOM 931 OE1 GLU A 63 8.271 -9.003 -7.052 1.00 0.00 O ATOM 932 OE2 GLU A 63 6.649 -10.523 -7.195 1.00 0.00 O ATOM 0 H GLU A 63 4.861 -7.319 -3.481 1.00 0.00 H new ATOM 0 HA GLU A 63 7.105 -8.853 -2.728 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.954 -7.711 -5.134 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.691 -7.481 -5.126 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.909 -9.965 -4.500 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.190 -10.117 -4.802 1.00 0.00 H new ATOM 939 N ASP A 64 8.996 -7.370 -2.211 1.00 0.00 N ATOM 940 CA ASP A 64 10.066 -6.507 -1.742 1.00 0.00 C ATOM 941 C ASP A 64 11.212 -6.526 -2.754 1.00 0.00 C ATOM 942 O ASP A 64 10.998 -6.796 -3.935 1.00 0.00 O ATOM 943 CB ASP A 64 10.614 -6.990 -0.397 1.00 0.00 C ATOM 944 CG ASP A 64 11.114 -5.883 0.532 1.00 0.00 C ATOM 945 OD1 ASP A 64 11.067 -4.712 0.098 1.00 0.00 O ATOM 946 OD2 ASP A 64 11.533 -6.233 1.657 1.00 0.00 O ATOM 0 H ASP A 64 9.175 -8.368 -2.103 1.00 0.00 H new ATOM 0 HA ASP A 64 9.662 -5.501 -1.626 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.832 -7.550 0.117 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.433 -7.685 -0.584 1.00 0.00 H new ATOM 951 N GLU A 65 12.405 -6.237 -2.255 1.00 0.00 N ATOM 952 CA GLU A 65 13.586 -6.218 -3.101 1.00 0.00 C ATOM 953 C GLU A 65 13.931 -7.636 -3.563 1.00 0.00 C ATOM 954 O GLU A 65 14.281 -7.846 -4.723 1.00 0.00 O ATOM 955 CB GLU A 65 14.770 -5.574 -2.377 1.00 0.00 C ATOM 956 CG GLU A 65 15.445 -6.573 -1.435 1.00 0.00 C ATOM 957 CD GLU A 65 16.507 -5.884 -0.575 1.00 0.00 C ATOM 958 OE1 GLU A 65 17.623 -5.686 -1.103 1.00 0.00 O ATOM 959 OE2 GLU A 65 16.179 -5.570 0.590 1.00 0.00 O ATOM 0 H GLU A 65 12.579 -6.014 -1.275 1.00 0.00 H new ATOM 0 HA GLU A 65 13.368 -5.613 -3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.493 -5.211 -3.107 1.00 0.00 H new ATOM 0 HB3 GLU A 65 14.427 -4.708 -1.810 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.696 -7.036 -0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 65 15.905 -7.373 -2.016 1.00 0.00 H new ATOM 966 N ASP A 66 13.820 -8.571 -2.631 1.00 0.00 N ATOM 967 CA ASP A 66 14.116 -9.962 -2.927 1.00 0.00 C ATOM 968 C ASP A 66 12.873 -10.628 -3.520 1.00 0.00 C ATOM 969 O ASP A 66 12.843 -11.844 -3.702 1.00 0.00 O ATOM 970 CB ASP A 66 14.503 -10.725 -1.659 1.00 0.00 C ATOM 971 CG ASP A 66 15.988 -10.666 -1.296 1.00 0.00 C ATOM 972 OD1 ASP A 66 16.683 -9.813 -1.887 1.00 0.00 O ATOM 973 OD2 ASP A 66 16.394 -11.476 -0.435 1.00 0.00 O ATOM 0 H ASP A 66 13.529 -8.392 -1.670 1.00 0.00 H new ATOM 0 HA ASP A 66 14.948 -9.988 -3.630 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.925 -10.329 -0.824 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.215 -11.769 -1.780 1.00 0.00 H new ATOM 978 N GLY A 67 11.877 -9.802 -3.804 1.00 0.00 N ATOM 979 CA GLY A 67 10.634 -10.296 -4.373 1.00 0.00 C ATOM 980 C GLY A 67 10.217 -11.613 -3.716 1.00 0.00 C ATOM 981 O GLY A 67 10.035 -12.621 -4.399 1.00 0.00 O ATOM 0 H GLY A 67 11.905 -8.794 -3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.848 -9.553 -4.239 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.754 -10.443 -5.446 1.00 0.00 H new ATOM 985 N ASP A 68 10.077 -11.563 -2.400 1.00 0.00 N ATOM 986 CA ASP A 68 9.684 -12.740 -1.644 1.00 0.00 C ATOM 987 C ASP A 68 8.244 -12.570 -1.155 1.00 0.00 C ATOM 988 O ASP A 68 7.713 -13.437 -0.463 1.00 0.00 O ATOM 989 CB ASP A 68 10.580 -12.932 -0.418 1.00 0.00 C ATOM 990 CG ASP A 68 10.708 -14.376 0.070 1.00 0.00 C ATOM 991 OD1 ASP A 68 10.764 -15.268 -0.804 1.00 0.00 O ATOM 992 OD2 ASP A 68 10.747 -14.556 1.306 1.00 0.00 O ATOM 0 H ASP A 68 10.229 -10.726 -1.837 1.00 0.00 H new ATOM 0 HA ASP A 68 9.777 -13.607 -2.298 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.575 -12.554 -0.651 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.190 -12.322 0.397 1.00 0.00 H new ATOM 997 N ARG A 69 7.654 -11.446 -1.534 1.00 0.00 N ATOM 998 CA ARG A 69 6.286 -11.151 -1.143 1.00 0.00 C ATOM 999 C ARG A 69 6.163 -11.128 0.382 1.00 0.00 C ATOM 1000 O ARG A 69 6.048 -12.177 1.015 1.00 0.00 O ATOM 1001 CB ARG A 69 5.315 -12.188 -1.710 1.00 0.00 C ATOM 1002 CG ARG A 69 5.348 -12.191 -3.240 1.00 0.00 C ATOM 1003 CD ARG A 69 4.242 -11.302 -3.814 1.00 0.00 C ATOM 1004 NE ARG A 69 4.080 -11.567 -5.261 1.00 0.00 N ATOM 1005 CZ ARG A 69 3.349 -12.573 -5.763 1.00 0.00 C ATOM 1006 NH1 ARG A 69 2.710 -13.414 -4.938 1.00 0.00 N ATOM 1007 NH2 ARG A 69 3.259 -12.737 -7.090 1.00 0.00 N ATOM 0 H ARG A 69 8.098 -10.729 -2.108 1.00 0.00 H new ATOM 0 HA ARG A 69 6.030 -10.171 -1.547 1.00 0.00 H new ATOM 0 HB2 ARG A 69 5.575 -13.178 -1.335 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.304 -11.972 -1.365 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.319 -11.839 -3.587 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.228 -13.210 -3.608 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.304 -11.493 -3.294 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.488 -10.252 -3.653 1.00 0.00 H new ATOM 0 HE ARG A 69 4.554 -10.946 -5.917 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.780 -13.289 -3.928 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.154 -14.179 -5.320 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.746 -12.097 -7.717 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.703 -13.502 -7.473 1.00 0.00 H new ATOM 1021 N ILE A 70 6.191 -9.921 0.928 1.00 0.00 N ATOM 1022 CA ILE A 70 6.084 -9.748 2.367 1.00 0.00 C ATOM 1023 C ILE A 70 4.619 -9.885 2.785 1.00 0.00 C ATOM 1024 O ILE A 70 3.743 -10.068 1.941 1.00 0.00 O ATOM 1025 CB ILE A 70 6.725 -8.427 2.797 1.00 0.00 C ATOM 1026 CG1 ILE A 70 7.957 -8.113 1.944 1.00 0.00 C ATOM 1027 CG2 ILE A 70 7.050 -8.436 4.292 1.00 0.00 C ATOM 1028 CD1 ILE A 70 8.887 -9.324 1.857 1.00 0.00 C ATOM 0 H ILE A 70 6.286 -9.054 0.400 1.00 0.00 H new ATOM 0 HA ILE A 70 6.639 -10.529 2.887 1.00 0.00 H new ATOM 0 HB ILE A 70 6.004 -7.627 2.630 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.644 -7.817 0.942 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.495 -7.267 2.373 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.505 -7.486 4.571 1.00 0.00 H new ATOM 0 HG22 ILE A 70 6.133 -8.581 4.863 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.744 -9.248 4.508 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.754 -9.074 1.245 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.217 -9.602 2.858 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.354 -10.161 1.405 1.00 0.00 H new ATOM 1040 N THR A 71 4.397 -9.792 4.088 1.00 0.00 N ATOM 1041 CA THR A 71 3.053 -9.903 4.629 1.00 0.00 C ATOM 1042 C THR A 71 2.796 -8.793 5.650 1.00 0.00 C ATOM 1043 O THR A 71 3.661 -8.484 6.468 1.00 0.00 O ATOM 1044 CB THR A 71 2.891 -11.310 5.207 1.00 0.00 C ATOM 1045 OG1 THR A 71 2.908 -12.160 4.063 1.00 0.00 O ATOM 1046 CG2 THR A 71 1.507 -11.536 5.818 1.00 0.00 C ATOM 0 H THR A 71 5.126 -9.641 4.785 1.00 0.00 H new ATOM 0 HA THR A 71 2.301 -9.767 3.852 1.00 0.00 H new ATOM 0 HB THR A 71 3.655 -11.481 5.965 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.810 -13.093 4.347 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.445 -12.550 6.214 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.344 -10.821 6.625 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.744 -11.398 5.052 1.00 0.00 H new ATOM 1054 N VAL A 72 1.602 -8.225 5.570 1.00 0.00 N ATOM 1055 CA VAL A 72 1.219 -7.156 6.477 1.00 0.00 C ATOM 1056 C VAL A 72 0.008 -7.600 7.300 1.00 0.00 C ATOM 1057 O VAL A 72 -1.115 -7.618 6.798 1.00 0.00 O ATOM 1058 CB VAL A 72 0.969 -5.867 5.692 1.00 0.00 C ATOM 1059 CG1 VAL A 72 0.656 -4.703 6.634 1.00 0.00 C ATOM 1060 CG2 VAL A 72 2.157 -5.537 4.786 1.00 0.00 C ATOM 0 H VAL A 72 0.887 -8.485 4.891 1.00 0.00 H new ATOM 0 HA VAL A 72 2.027 -6.942 7.177 1.00 0.00 H new ATOM 0 HB VAL A 72 0.098 -6.026 5.056 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.482 -3.799 6.050 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.236 -4.936 7.216 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.498 -4.544 7.308 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.953 -4.616 4.239 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.053 -5.408 5.393 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.313 -6.352 4.079 1.00 0.00 H new ATOM 1070 N ARG A 73 0.277 -7.948 8.550 1.00 0.00 N ATOM 1071 CA ARG A 73 -0.777 -8.391 9.446 1.00 0.00 C ATOM 1072 C ARG A 73 -0.915 -7.422 10.622 1.00 0.00 C ATOM 1073 O ARG A 73 -1.607 -7.717 11.596 1.00 0.00 O ATOM 1074 CB ARG A 73 -0.490 -9.795 9.982 1.00 0.00 C ATOM 1075 CG ARG A 73 -0.670 -10.848 8.887 1.00 0.00 C ATOM 1076 CD ARG A 73 -0.505 -12.260 9.451 1.00 0.00 C ATOM 1077 NE ARG A 73 -1.530 -12.514 10.488 1.00 0.00 N ATOM 1078 CZ ARG A 73 -1.382 -12.201 11.782 1.00 0.00 C ATOM 1079 NH1 ARG A 73 -0.251 -11.621 12.207 1.00 0.00 N ATOM 1080 NH2 ARG A 73 -2.365 -12.469 12.653 1.00 0.00 N ATOM 0 H ARG A 73 1.209 -7.932 8.963 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.707 -8.414 8.878 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.528 -9.839 10.370 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.158 -10.014 10.815 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.658 -10.745 8.438 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.060 -10.682 8.094 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.597 -12.993 8.650 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.492 -12.376 9.877 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.403 -12.955 10.199 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.498 -11.418 11.545 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.139 -11.383 13.192 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.226 -12.911 12.330 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.252 -12.231 13.638 1.00 0.00 H new ATOM 1094 N SER A 74 -0.245 -6.286 10.494 1.00 0.00 N ATOM 1095 CA SER A 74 -0.284 -5.272 11.534 1.00 0.00 C ATOM 1096 C SER A 74 0.339 -3.973 11.021 1.00 0.00 C ATOM 1097 O SER A 74 1.250 -4.000 10.196 1.00 0.00 O ATOM 1098 CB SER A 74 0.441 -5.748 12.794 1.00 0.00 C ATOM 1099 OG SER A 74 0.782 -4.664 13.655 1.00 0.00 O ATOM 0 H SER A 74 0.328 -6.045 9.685 1.00 0.00 H new ATOM 0 HA SER A 74 -1.326 -5.089 11.795 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.192 -6.453 13.332 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.346 -6.285 12.511 1.00 0.00 H new ATOM 0 HG SER A 74 1.242 -5.009 14.449 1.00 0.00 H new ATOM 1105 N ASP A 75 -0.177 -2.865 11.532 1.00 0.00 N ATOM 1106 CA ASP A 75 0.317 -1.557 11.137 1.00 0.00 C ATOM 1107 C ASP A 75 1.843 -1.605 11.028 1.00 0.00 C ATOM 1108 O ASP A 75 2.422 -1.013 10.118 1.00 0.00 O ATOM 1109 CB ASP A 75 -0.050 -0.493 12.173 1.00 0.00 C ATOM 1110 CG ASP A 75 -1.528 -0.452 12.563 1.00 0.00 C ATOM 1111 OD1 ASP A 75 -2.290 -1.257 11.983 1.00 0.00 O ATOM 1112 OD2 ASP A 75 -1.864 0.382 13.431 1.00 0.00 O ATOM 0 H ASP A 75 -0.933 -2.846 12.217 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.137 -1.300 10.180 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.543 -0.663 13.072 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.235 0.485 11.784 1.00 0.00 H new ATOM 1117 N GLU A 76 2.449 -2.314 11.968 1.00 0.00 N ATOM 1118 CA GLU A 76 3.896 -2.447 11.989 1.00 0.00 C ATOM 1119 C GLU A 76 4.420 -2.767 10.588 1.00 0.00 C ATOM 1120 O GLU A 76 5.210 -2.008 10.028 1.00 0.00 O ATOM 1121 CB GLU A 76 4.334 -3.513 12.995 1.00 0.00 C ATOM 1122 CG GLU A 76 5.363 -2.950 13.978 1.00 0.00 C ATOM 1123 CD GLU A 76 5.277 -3.661 15.330 1.00 0.00 C ATOM 1124 OE1 GLU A 76 5.626 -4.861 15.363 1.00 0.00 O ATOM 1125 OE2 GLU A 76 4.863 -2.989 16.299 1.00 0.00 O ATOM 0 H GLU A 76 1.965 -2.803 12.721 1.00 0.00 H new ATOM 0 HA GLU A 76 4.324 -1.496 12.307 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.466 -3.880 13.542 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.760 -4.365 12.465 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.366 -3.065 13.566 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.195 -1.882 14.114 1.00 0.00 H new ATOM 1132 N GLU A 77 3.960 -3.893 10.061 1.00 0.00 N ATOM 1133 CA GLU A 77 4.372 -4.323 8.736 1.00 0.00 C ATOM 1134 C GLU A 77 4.059 -3.237 7.704 1.00 0.00 C ATOM 1135 O GLU A 77 4.868 -2.966 6.819 1.00 0.00 O ATOM 1136 CB GLU A 77 3.706 -5.647 8.357 1.00 0.00 C ATOM 1137 CG GLU A 77 4.439 -6.831 8.994 1.00 0.00 C ATOM 1138 CD GLU A 77 3.626 -7.423 10.147 1.00 0.00 C ATOM 1139 OE1 GLU A 77 3.264 -6.636 11.049 1.00 0.00 O ATOM 1140 OE2 GLU A 77 3.384 -8.648 10.100 1.00 0.00 O ATOM 0 H GLU A 77 3.306 -4.520 10.528 1.00 0.00 H new ATOM 0 HA GLU A 77 5.450 -4.486 8.748 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.666 -5.641 8.682 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.701 -5.758 7.273 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.621 -7.598 8.241 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.413 -6.506 9.360 1.00 0.00 H new ATOM 1147 N MET A 78 2.883 -2.645 7.854 1.00 0.00 N ATOM 1148 CA MET A 78 2.453 -1.595 6.946 1.00 0.00 C ATOM 1149 C MET A 78 3.542 -0.534 6.780 1.00 0.00 C ATOM 1150 O MET A 78 3.927 -0.204 5.660 1.00 0.00 O ATOM 1151 CB MET A 78 1.181 -0.941 7.488 1.00 0.00 C ATOM 1152 CG MET A 78 0.055 -0.991 6.452 1.00 0.00 C ATOM 1153 SD MET A 78 0.061 0.501 5.473 1.00 0.00 S ATOM 1154 CE MET A 78 -0.840 1.591 6.563 1.00 0.00 C ATOM 0 H MET A 78 2.215 -2.872 8.590 1.00 0.00 H new ATOM 0 HA MET A 78 2.256 -2.041 5.971 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.865 -1.450 8.398 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.387 0.095 7.757 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.182 -1.860 5.806 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.907 -1.104 6.953 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.791 1.861 6.103 1.00 0.00 H new ATOM 0 HE2 MET A 78 -1.026 1.086 7.511 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.254 2.493 6.741 1.00 0.00 H new ATOM 1164 N LYS A 79 4.008 -0.028 7.913 1.00 0.00 N ATOM 1165 CA LYS A 79 5.046 0.989 7.907 1.00 0.00 C ATOM 1166 C LYS A 79 6.290 0.439 7.208 1.00 0.00 C ATOM 1167 O LYS A 79 7.059 1.194 6.616 1.00 0.00 O ATOM 1168 CB LYS A 79 5.310 1.492 9.328 1.00 0.00 C ATOM 1169 CG LYS A 79 6.695 1.060 9.813 1.00 0.00 C ATOM 1170 CD LYS A 79 7.030 1.705 11.160 1.00 0.00 C ATOM 1171 CE LYS A 79 7.327 0.641 12.219 1.00 0.00 C ATOM 1172 NZ LYS A 79 8.546 0.992 12.979 1.00 0.00 N ATOM 0 H LYS A 79 3.686 -0.303 8.841 1.00 0.00 H new ATOM 0 HA LYS A 79 4.722 1.861 7.339 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.235 2.579 9.353 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.547 1.104 10.003 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.729 -0.025 9.907 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.446 1.340 9.075 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.892 2.362 11.048 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.196 2.326 11.487 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.480 0.551 12.900 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.456 -0.330 11.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.733 0.259 13.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.355 1.055 12.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.409 1.909 13.451 1.00 0.00 H new ATOM 1186 N ALA A 80 6.450 -0.873 7.300 1.00 0.00 N ATOM 1187 CA ALA A 80 7.588 -1.534 6.684 1.00 0.00 C ATOM 1188 C ALA A 80 7.416 -1.524 5.164 1.00 0.00 C ATOM 1189 O ALA A 80 8.287 -1.042 4.440 1.00 0.00 O ATOM 1190 CB ALA A 80 7.723 -2.950 7.246 1.00 0.00 C ATOM 0 H ALA A 80 5.810 -1.496 7.792 1.00 0.00 H new ATOM 0 HA ALA A 80 8.511 -1.003 6.915 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.577 -3.445 6.783 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.873 -2.901 8.325 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.816 -3.515 7.031 1.00 0.00 H new ATOM 1196 N MET A 81 6.288 -2.061 4.724 1.00 0.00 N ATOM 1197 CA MET A 81 5.991 -2.120 3.303 1.00 0.00 C ATOM 1198 C MET A 81 6.150 -0.745 2.652 1.00 0.00 C ATOM 1199 O MET A 81 6.681 -0.634 1.548 1.00 0.00 O ATOM 1200 CB MET A 81 4.558 -2.617 3.101 1.00 0.00 C ATOM 1201 CG MET A 81 4.104 -2.409 1.655 1.00 0.00 C ATOM 1202 SD MET A 81 2.425 -2.979 1.454 1.00 0.00 S ATOM 1203 CE MET A 81 1.540 -1.572 2.104 1.00 0.00 C ATOM 0 H MET A 81 5.568 -2.459 5.327 1.00 0.00 H new ATOM 0 HA MET A 81 6.694 -2.808 2.833 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.497 -3.675 3.356 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.887 -2.087 3.776 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.172 -1.353 1.392 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.764 -2.950 0.977 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.621 -1.426 1.536 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.295 -1.748 3.151 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.163 -0.681 2.022 1.00 0.00 H new ATOM 1213 N LEU A 82 5.681 0.270 3.364 1.00 0.00 N ATOM 1214 CA LEU A 82 5.765 1.633 2.869 1.00 0.00 C ATOM 1215 C LEU A 82 7.209 2.127 2.989 1.00 0.00 C ATOM 1216 O LEU A 82 7.689 2.866 2.132 1.00 0.00 O ATOM 1217 CB LEU A 82 4.749 2.526 3.583 1.00 0.00 C ATOM 1218 CG LEU A 82 3.280 2.290 3.224 1.00 0.00 C ATOM 1219 CD1 LEU A 82 2.364 2.658 4.393 1.00 0.00 C ATOM 1220 CD2 LEU A 82 2.902 3.035 1.942 1.00 0.00 C ATOM 0 H LEU A 82 5.242 0.175 4.280 1.00 0.00 H new ATOM 0 HA LEU A 82 5.501 1.671 1.812 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.866 2.389 4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.993 3.566 3.366 1.00 0.00 H new ATOM 0 HG LEU A 82 3.142 1.226 3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.326 2.481 4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.615 2.045 5.259 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.498 3.711 4.643 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.853 2.850 1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.060 4.104 2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.524 2.682 1.119 1.00 0.00 H new ATOM 1232 N SER A 83 7.859 1.698 4.061 1.00 0.00 N ATOM 1233 CA SER A 83 9.238 2.087 4.305 1.00 0.00 C ATOM 1234 C SER A 83 10.131 1.593 3.165 1.00 0.00 C ATOM 1235 O SER A 83 11.191 2.162 2.910 1.00 0.00 O ATOM 1236 CB SER A 83 9.736 1.541 5.645 1.00 0.00 C ATOM 1237 OG SER A 83 11.158 1.493 5.706 1.00 0.00 O ATOM 0 H SER A 83 7.457 1.085 4.770 1.00 0.00 H new ATOM 0 HA SER A 83 9.284 3.175 4.348 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.359 2.167 6.454 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.332 0.541 5.801 1.00 0.00 H new ATOM 0 HG SER A 83 11.436 1.141 6.577 1.00 0.00 H new ATOM 1243 N TYR A 84 9.669 0.538 2.510 1.00 0.00 N ATOM 1244 CA TYR A 84 10.413 -0.040 1.403 1.00 0.00 C ATOM 1245 C TYR A 84 10.016 0.612 0.077 1.00 0.00 C ATOM 1246 O TYR A 84 10.843 1.242 -0.581 1.00 0.00 O ATOM 1247 CB TYR A 84 10.029 -1.521 1.365 1.00 0.00 C ATOM 1248 CG TYR A 84 9.981 -2.115 -0.044 1.00 0.00 C ATOM 1249 CD1 TYR A 84 11.128 -2.166 -0.810 1.00 0.00 C ATOM 1250 CD2 TYR A 84 8.791 -2.599 -0.549 1.00 0.00 C ATOM 1251 CE1 TYR A 84 11.082 -2.726 -2.137 1.00 0.00 C ATOM 1252 CE2 TYR A 84 8.746 -3.158 -1.875 1.00 0.00 C ATOM 1253 CZ TYR A 84 9.894 -3.194 -2.604 1.00 0.00 C ATOM 1254 OH TYR A 84 9.851 -3.722 -3.856 1.00 0.00 O ATOM 0 H TYR A 84 8.789 0.068 2.724 1.00 0.00 H new ATOM 0 HA TYR A 84 11.484 0.111 1.539 1.00 0.00 H new ATOM 0 HB2 TYR A 84 10.744 -2.087 1.963 1.00 0.00 H new ATOM 0 HB3 TYR A 84 9.053 -1.645 1.834 1.00 0.00 H new ATOM 0 HD1 TYR A 84 12.059 -1.787 -0.415 1.00 0.00 H new ATOM 0 HD2 TYR A 84 7.894 -2.558 0.051 1.00 0.00 H new ATOM 0 HE1 TYR A 84 11.972 -2.773 -2.747 1.00 0.00 H new ATOM 0 HE2 TYR A 84 7.821 -3.540 -2.282 1.00 0.00 H new ATOM 0 HH TYR A 84 9.189 -4.444 -3.884 1.00 0.00 H new ATOM 1264 N TYR A 85 8.751 0.437 -0.277 1.00 0.00 N ATOM 1265 CA TYR A 85 8.235 1.000 -1.513 1.00 0.00 C ATOM 1266 C TYR A 85 8.861 2.367 -1.796 1.00 0.00 C ATOM 1267 O TYR A 85 9.312 2.629 -2.909 1.00 0.00 O ATOM 1268 CB TYR A 85 6.730 1.175 -1.301 1.00 0.00 C ATOM 1269 CG TYR A 85 5.982 1.679 -2.536 1.00 0.00 C ATOM 1270 CD1 TYR A 85 5.843 0.862 -3.640 1.00 0.00 C ATOM 1271 CD2 TYR A 85 5.446 2.951 -2.547 1.00 0.00 C ATOM 1272 CE1 TYR A 85 5.139 1.337 -4.803 1.00 0.00 C ATOM 1273 CE2 TYR A 85 4.741 3.425 -3.710 1.00 0.00 C ATOM 1274 CZ TYR A 85 4.623 2.595 -4.780 1.00 0.00 C ATOM 1275 OH TYR A 85 3.957 3.043 -5.879 1.00 0.00 O ATOM 0 H TYR A 85 8.068 -0.087 0.271 1.00 0.00 H new ATOM 0 HA TYR A 85 8.465 0.349 -2.357 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.303 0.220 -0.995 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.568 1.874 -0.480 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.262 -0.133 -3.632 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.555 3.591 -1.684 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.023 0.708 -5.674 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.316 4.417 -3.731 1.00 0.00 H new ATOM 0 HH TYR A 85 4.149 2.456 -6.640 1.00 0.00 H new ATOM 1285 N TYR A 86 8.867 3.204 -0.768 1.00 0.00 N ATOM 1286 CA TYR A 86 9.430 4.537 -0.892 1.00 0.00 C ATOM 1287 C TYR A 86 10.957 4.483 -0.970 1.00 0.00 C ATOM 1288 O TYR A 86 11.565 5.173 -1.787 1.00 0.00 O ATOM 1289 CB TYR A 86 9.022 5.287 0.379 1.00 0.00 C ATOM 1290 CG TYR A 86 7.510 5.386 0.584 1.00 0.00 C ATOM 1291 CD1 TYR A 86 6.663 5.373 -0.505 1.00 0.00 C ATOM 1292 CD2 TYR A 86 6.992 5.489 1.860 1.00 0.00 C ATOM 1293 CE1 TYR A 86 5.239 5.467 -0.311 1.00 0.00 C ATOM 1294 CE2 TYR A 86 5.568 5.583 2.054 1.00 0.00 C ATOM 1295 CZ TYR A 86 4.762 5.567 0.958 1.00 0.00 C ATOM 1296 OH TYR A 86 3.417 5.656 1.141 1.00 0.00 O ATOM 0 H TYR A 86 8.491 2.984 0.154 1.00 0.00 H new ATOM 0 HA TYR A 86 9.069 5.023 -1.799 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.463 4.787 1.241 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.440 6.293 0.345 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.068 5.292 -1.503 1.00 0.00 H new ATOM 0 HD2 TYR A 86 7.655 5.499 2.713 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.565 5.458 -1.155 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.150 5.664 3.046 1.00 0.00 H new ATOM 0 HH TYR A 86 2.989 5.921 0.300 1.00 0.00 H new ATOM 1306 N SER A 87 11.533 3.657 -0.110 1.00 0.00 N ATOM 1307 CA SER A 87 12.977 3.504 -0.072 1.00 0.00 C ATOM 1308 C SER A 87 13.489 3.030 -1.433 1.00 0.00 C ATOM 1309 O SER A 87 14.627 3.314 -1.806 1.00 0.00 O ATOM 1310 CB SER A 87 13.398 2.523 1.024 1.00 0.00 C ATOM 1311 OG SER A 87 13.701 3.188 2.248 1.00 0.00 O ATOM 0 H SER A 87 11.026 3.086 0.566 1.00 0.00 H new ATOM 0 HA SER A 87 13.418 4.474 0.157 1.00 0.00 H new ATOM 0 HB2 SER A 87 12.598 1.802 1.192 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.270 1.960 0.691 1.00 0.00 H new ATOM 0 HG SER A 87 12.960 3.067 2.878 1.00 0.00 H new ATOM 1317 N THR A 88 12.625 2.315 -2.139 1.00 0.00 N ATOM 1318 CA THR A 88 12.976 1.799 -3.451 1.00 0.00 C ATOM 1319 C THR A 88 12.462 2.735 -4.547 1.00 0.00 C ATOM 1320 O THR A 88 13.160 2.991 -5.527 1.00 0.00 O ATOM 1321 CB THR A 88 12.427 0.375 -3.561 1.00 0.00 C ATOM 1322 OG1 THR A 88 13.426 -0.326 -4.297 1.00 0.00 O ATOM 1323 CG2 THR A 88 11.184 0.294 -4.450 1.00 0.00 C ATOM 0 H THR A 88 11.683 2.081 -1.827 1.00 0.00 H new ATOM 0 HA THR A 88 14.057 1.757 -3.584 1.00 0.00 H new ATOM 0 HB THR A 88 12.187 0.001 -2.566 1.00 0.00 H new ATOM 0 HG1 THR A 88 13.152 -1.260 -4.413 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.835 -0.738 -4.494 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.398 0.925 -4.035 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.432 0.636 -5.455 1.00 0.00 H new ATOM 1331 N VAL A 89 11.245 3.219 -4.345 1.00 0.00 N ATOM 1332 CA VAL A 89 10.630 4.121 -5.304 1.00 0.00 C ATOM 1333 C VAL A 89 11.543 5.330 -5.518 1.00 0.00 C ATOM 1334 O VAL A 89 11.755 5.759 -6.651 1.00 0.00 O ATOM 1335 CB VAL A 89 9.227 4.508 -4.832 1.00 0.00 C ATOM 1336 CG1 VAL A 89 8.784 5.833 -5.456 1.00 0.00 C ATOM 1337 CG2 VAL A 89 8.221 3.396 -5.136 1.00 0.00 C ATOM 0 H VAL A 89 10.669 3.004 -3.532 1.00 0.00 H new ATOM 0 HA VAL A 89 10.510 3.629 -6.269 1.00 0.00 H new ATOM 0 HB VAL A 89 9.262 4.642 -3.751 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.784 6.085 -5.104 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.479 6.621 -5.168 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.773 5.738 -6.542 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.232 3.696 -4.791 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.191 3.216 -6.211 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.523 2.482 -4.624 1.00 0.00 H new ATOM 1347 N MET A 90 12.058 5.846 -4.412 1.00 0.00 N ATOM 1348 CA MET A 90 12.943 6.998 -4.465 1.00 0.00 C ATOM 1349 C MET A 90 14.194 6.690 -5.290 1.00 0.00 C ATOM 1350 O MET A 90 14.828 7.599 -5.825 1.00 0.00 O ATOM 1351 CB MET A 90 13.352 7.393 -3.045 1.00 0.00 C ATOM 1352 CG MET A 90 14.534 6.550 -2.560 1.00 0.00 C ATOM 1353 SD MET A 90 16.071 7.329 -3.026 1.00 0.00 S ATOM 1354 CE MET A 90 16.870 7.414 -1.432 1.00 0.00 C ATOM 0 H MET A 90 11.880 5.488 -3.474 1.00 0.00 H new ATOM 0 HA MET A 90 12.410 7.821 -4.941 1.00 0.00 H new ATOM 0 HB2 MET A 90 13.620 8.449 -3.020 1.00 0.00 H new ATOM 0 HB3 MET A 90 12.506 7.263 -2.370 1.00 0.00 H new ATOM 0 HG2 MET A 90 14.489 6.435 -1.477 1.00 0.00 H new ATOM 0 HG3 MET A 90 14.479 5.550 -2.990 1.00 0.00 H new ATOM 0 HE1 MET A 90 17.850 7.878 -1.541 1.00 0.00 H new ATOM 0 HE2 MET A 90 16.261 8.008 -0.751 1.00 0.00 H new ATOM 0 HE3 MET A 90 16.987 6.408 -1.030 1.00 0.00 H new ATOM 1364 N GLU A 91 14.512 5.406 -5.368 1.00 0.00 N ATOM 1365 CA GLU A 91 15.676 4.968 -6.120 1.00 0.00 C ATOM 1366 C GLU A 91 15.355 4.919 -7.615 1.00 0.00 C ATOM 1367 O GLU A 91 16.208 5.223 -8.447 1.00 0.00 O ATOM 1368 CB GLU A 91 16.170 3.609 -5.620 1.00 0.00 C ATOM 1369 CG GLU A 91 16.963 2.880 -6.708 1.00 0.00 C ATOM 1370 CD GLU A 91 18.179 2.165 -6.114 1.00 0.00 C ATOM 1371 OE1 GLU A 91 19.028 2.876 -5.534 1.00 0.00 O ATOM 1372 OE2 GLU A 91 18.231 0.924 -6.254 1.00 0.00 O ATOM 0 H GLU A 91 13.984 4.655 -4.923 1.00 0.00 H new ATOM 0 HA GLU A 91 16.478 5.690 -5.965 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.797 3.747 -4.739 1.00 0.00 H new ATOM 0 HB3 GLU A 91 15.320 2.999 -5.314 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.320 2.156 -7.209 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.290 3.593 -7.465 1.00 0.00 H new ATOM 1379 N GLN A 92 14.122 4.533 -7.911 1.00 0.00 N ATOM 1380 CA GLN A 92 13.678 4.440 -9.291 1.00 0.00 C ATOM 1381 C GLN A 92 13.627 5.831 -9.927 1.00 0.00 C ATOM 1382 O GLN A 92 13.718 5.963 -11.147 1.00 0.00 O ATOM 1383 CB GLN A 92 12.318 3.745 -9.384 1.00 0.00 C ATOM 1384 CG GLN A 92 12.468 2.228 -9.253 1.00 0.00 C ATOM 1385 CD GLN A 92 11.629 1.501 -10.306 1.00 0.00 C ATOM 1386 OE1 GLN A 92 12.086 1.188 -11.393 1.00 0.00 O ATOM 1387 NE2 GLN A 92 10.380 1.252 -9.924 1.00 0.00 N ATOM 0 H GLN A 92 13.417 4.281 -7.218 1.00 0.00 H new ATOM 0 HA GLN A 92 14.397 3.835 -9.843 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.660 4.118 -8.599 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.846 3.987 -10.337 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.517 1.952 -9.364 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.159 1.913 -8.256 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.062 1.542 -8.999 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.740 0.771 -10.556 1.00 0.00 H new ATOM 1396 N GLN A 93 13.482 6.833 -9.072 1.00 0.00 N ATOM 1397 CA GLN A 93 13.419 8.209 -9.535 1.00 0.00 C ATOM 1398 C GLN A 93 14.829 8.766 -9.739 1.00 0.00 C ATOM 1399 O GLN A 93 15.145 9.291 -10.805 1.00 0.00 O ATOM 1400 CB GLN A 93 12.620 9.078 -8.562 1.00 0.00 C ATOM 1401 CG GLN A 93 11.201 8.536 -8.380 1.00 0.00 C ATOM 1402 CD GLN A 93 10.182 9.676 -8.323 1.00 0.00 C ATOM 1403 OE1 GLN A 93 10.222 10.618 -9.097 1.00 0.00 O ATOM 1404 NE2 GLN A 93 9.269 9.538 -7.366 1.00 0.00 N ATOM 0 H GLN A 93 13.406 6.719 -8.061 1.00 0.00 H new ATOM 0 HA GLN A 93 12.902 8.226 -10.494 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.127 9.111 -7.598 1.00 0.00 H new ATOM 0 HB3 GLN A 93 12.577 10.102 -8.934 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.956 7.865 -9.203 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.147 7.949 -7.463 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.293 8.724 -6.752 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.545 10.246 -7.246 1.00 0.00 H new ATOM 1413 N VAL A 94 15.639 8.633 -8.698 1.00 0.00 N ATOM 1414 CA VAL A 94 17.008 9.117 -8.750 1.00 0.00 C ATOM 1415 C VAL A 94 17.757 8.397 -9.872 1.00 0.00 C ATOM 1416 O VAL A 94 18.718 8.931 -10.425 1.00 0.00 O ATOM 1417 CB VAL A 94 17.674 8.949 -7.382 1.00 0.00 C ATOM 1418 CG1 VAL A 94 16.771 9.475 -6.265 1.00 0.00 C ATOM 1419 CG2 VAL A 94 18.058 7.489 -7.136 1.00 0.00 C ATOM 0 H VAL A 94 15.373 8.197 -7.815 1.00 0.00 H new ATOM 0 HA VAL A 94 17.028 10.183 -8.978 1.00 0.00 H new ATOM 0 HB VAL A 94 18.589 9.541 -7.379 1.00 0.00 H new ATOM 0 HG11 VAL A 94 17.268 9.344 -5.304 1.00 0.00 H new ATOM 0 HG12 VAL A 94 16.570 10.534 -6.428 1.00 0.00 H new ATOM 0 HG13 VAL A 94 15.831 8.923 -6.266 1.00 0.00 H new ATOM 0 HG21 VAL A 94 18.529 7.397 -6.157 1.00 0.00 H new ATOM 0 HG22 VAL A 94 17.163 6.867 -7.168 1.00 0.00 H new ATOM 0 HG23 VAL A 94 18.755 7.161 -7.907 1.00 0.00 H new ATOM 1429 N ASN A 95 17.290 7.195 -10.176 1.00 0.00 N ATOM 1430 CA ASN A 95 17.904 6.396 -11.223 1.00 0.00 C ATOM 1431 C ASN A 95 17.384 6.861 -12.585 1.00 0.00 C ATOM 1432 O ASN A 95 18.167 7.219 -13.463 1.00 0.00 O ATOM 1433 CB ASN A 95 17.553 4.915 -11.063 1.00 0.00 C ATOM 1434 CG ASN A 95 18.595 4.195 -10.205 1.00 0.00 C ATOM 1435 OD1 ASN A 95 19.197 3.213 -10.607 1.00 0.00 O ATOM 1436 ND2 ASN A 95 18.773 4.735 -9.003 1.00 0.00 N ATOM 0 H ASN A 95 16.493 6.755 -9.715 1.00 0.00 H new ATOM 0 HA ASN A 95 18.985 6.520 -11.152 1.00 0.00 H new ATOM 0 HB2 ASN A 95 16.569 4.818 -10.604 1.00 0.00 H new ATOM 0 HB3 ASN A 95 17.495 4.443 -12.044 1.00 0.00 H new ATOM 0 HD21 ASN A 95 19.447 4.326 -8.355 1.00 0.00 H new ATOM 0 HD22 ASN A 95 18.236 5.558 -8.729 1.00 0.00 H new ATOM 1443 N GLY A 96 16.066 6.839 -12.718 1.00 0.00 N ATOM 1444 CA GLY A 96 15.432 7.253 -13.958 1.00 0.00 C ATOM 1445 C GLY A 96 14.199 6.397 -14.256 1.00 0.00 C ATOM 1446 O GLY A 96 13.177 6.911 -14.708 1.00 0.00 O ATOM 0 H GLY A 96 15.420 6.541 -11.987 1.00 0.00 H new ATOM 0 HA2 GLY A 96 15.143 8.302 -13.890 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.144 7.171 -14.780 1.00 0.00 H new ATOM 1450 N GLN A 97 14.337 5.106 -13.992 1.00 0.00 N ATOM 1451 CA GLN A 97 13.247 4.174 -14.226 1.00 0.00 C ATOM 1452 C GLN A 97 11.934 4.747 -13.691 1.00 0.00 C ATOM 1453 O GLN A 97 11.938 5.571 -12.777 1.00 0.00 O ATOM 1454 CB GLN A 97 13.547 2.811 -13.599 1.00 0.00 C ATOM 1455 CG GLN A 97 14.776 2.168 -14.245 1.00 0.00 C ATOM 1456 CD GLN A 97 14.586 0.658 -14.401 1.00 0.00 C ATOM 1457 OE1 GLN A 97 13.534 0.175 -14.787 1.00 0.00 O ATOM 1458 NE2 GLN A 97 15.660 -0.058 -14.081 1.00 0.00 N ATOM 0 H GLN A 97 15.187 4.683 -13.618 1.00 0.00 H new ATOM 0 HA GLN A 97 13.145 4.028 -15.301 1.00 0.00 H new ATOM 0 HB2 GLN A 97 13.714 2.928 -12.528 1.00 0.00 H new ATOM 0 HB3 GLN A 97 12.685 2.155 -13.717 1.00 0.00 H new ATOM 0 HG2 GLN A 97 14.956 2.618 -15.221 1.00 0.00 H new ATOM 0 HG3 GLN A 97 15.658 2.366 -13.635 1.00 0.00 H new ATOM 0 HE21 GLN A 97 16.509 0.410 -13.765 1.00 0.00 H new ATOM 0 HE22 GLN A 97 15.634 -1.075 -14.152 1.00 0.00 H new ATOM 1467 N LEU A 98 10.840 4.289 -14.283 1.00 0.00 N ATOM 1468 CA LEU A 98 9.522 4.746 -13.877 1.00 0.00 C ATOM 1469 C LEU A 98 9.124 4.048 -12.574 1.00 0.00 C ATOM 1470 O LEU A 98 9.567 2.933 -12.303 1.00 0.00 O ATOM 1471 CB LEU A 98 8.515 4.551 -15.011 1.00 0.00 C ATOM 1472 CG LEU A 98 8.440 5.679 -16.043 1.00 0.00 C ATOM 1473 CD1 LEU A 98 7.622 5.252 -17.263 1.00 0.00 C ATOM 1474 CD2 LEU A 98 7.900 6.964 -15.412 1.00 0.00 C ATOM 0 H LEU A 98 10.840 3.606 -15.041 1.00 0.00 H new ATOM 0 HA LEU A 98 9.536 5.817 -13.674 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.759 3.625 -15.531 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.526 4.420 -14.573 1.00 0.00 H new ATOM 0 HG LEU A 98 9.451 5.891 -16.391 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.584 6.071 -17.981 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.088 4.384 -17.728 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.609 4.996 -16.951 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.857 7.750 -16.166 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.900 6.784 -15.018 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.558 7.276 -14.601 1.00 0.00 H new ATOM 1486 N ILE A 99 8.293 4.734 -11.803 1.00 0.00 N ATOM 1487 CA ILE A 99 7.831 4.194 -10.536 1.00 0.00 C ATOM 1488 C ILE A 99 6.693 3.203 -10.793 1.00 0.00 C ATOM 1489 O ILE A 99 5.848 3.434 -11.656 1.00 0.00 O ATOM 1490 CB ILE A 99 7.455 5.325 -9.577 1.00 0.00 C ATOM 1491 CG1 ILE A 99 8.572 6.367 -9.494 1.00 0.00 C ATOM 1492 CG2 ILE A 99 7.081 4.774 -8.199 1.00 0.00 C ATOM 1493 CD1 ILE A 99 9.877 5.734 -9.007 1.00 0.00 C ATOM 0 H ILE A 99 7.928 5.659 -12.031 1.00 0.00 H new ATOM 0 HA ILE A 99 8.631 3.641 -10.043 1.00 0.00 H new ATOM 0 HB ILE A 99 6.573 5.829 -9.972 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.726 6.819 -10.474 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.277 7.168 -8.816 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.818 5.599 -7.537 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.230 4.100 -8.295 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.929 4.230 -7.782 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.655 6.496 -8.957 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.726 5.304 -8.017 1.00 0.00 H new ATOM 0 HD13 ILE A 99 10.182 4.950 -9.700 1.00 0.00 H new ATOM 1505 N GLU A 100 6.710 2.121 -10.029 1.00 0.00 N ATOM 1506 CA GLU A 100 5.691 1.094 -10.164 1.00 0.00 C ATOM 1507 C GLU A 100 4.699 1.175 -9.001 1.00 0.00 C ATOM 1508 O GLU A 100 5.018 1.720 -7.946 1.00 0.00 O ATOM 1509 CB GLU A 100 6.322 -0.297 -10.250 1.00 0.00 C ATOM 1510 CG GLU A 100 6.980 -0.684 -8.924 1.00 0.00 C ATOM 1511 CD GLU A 100 6.606 -2.113 -8.523 1.00 0.00 C ATOM 1512 OE1 GLU A 100 5.495 -2.275 -7.974 1.00 0.00 O ATOM 1513 OE2 GLU A 100 7.439 -3.009 -8.775 1.00 0.00 O ATOM 0 H GLU A 100 7.413 1.933 -9.314 1.00 0.00 H new ATOM 0 HA GLU A 100 5.148 1.268 -11.093 1.00 0.00 H new ATOM 0 HB2 GLU A 100 5.559 -1.031 -10.509 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.065 -0.314 -11.047 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.063 -0.599 -9.013 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.669 0.010 -8.143 1.00 0.00 H new ATOM 1520 N PRO A 101 3.486 0.610 -9.241 1.00 0.00 N ATOM 1521 CA PRO A 101 2.445 0.613 -8.226 1.00 0.00 C ATOM 1522 C PRO A 101 2.745 -0.412 -7.130 1.00 0.00 C ATOM 1523 O PRO A 101 3.303 -1.474 -7.405 1.00 0.00 O ATOM 1524 CB PRO A 101 1.159 0.317 -8.980 1.00 0.00 C ATOM 1525 CG PRO A 101 1.584 -0.298 -10.304 1.00 0.00 C ATOM 1526 CD PRO A 101 3.073 -0.044 -10.479 1.00 0.00 C ATOM 0 HA PRO A 101 2.373 1.565 -7.701 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.525 -0.368 -8.417 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.582 1.228 -9.140 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.376 -1.368 -10.312 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.022 0.143 -11.128 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.618 -0.975 -10.636 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.268 0.589 -11.345 1.00 0.00 H new ATOM 1534 N LEU A 102 2.362 -0.059 -5.913 1.00 0.00 N ATOM 1535 CA LEU A 102 2.583 -0.935 -4.775 1.00 0.00 C ATOM 1536 C LEU A 102 1.779 -2.222 -4.964 1.00 0.00 C ATOM 1537 O LEU A 102 0.715 -2.388 -4.369 1.00 0.00 O ATOM 1538 CB LEU A 102 2.272 -0.203 -3.467 1.00 0.00 C ATOM 1539 CG LEU A 102 2.499 -1.001 -2.182 1.00 0.00 C ATOM 1540 CD1 LEU A 102 3.860 -1.699 -2.203 1.00 0.00 C ATOM 1541 CD2 LEU A 102 2.329 -0.113 -0.948 1.00 0.00 C ATOM 0 H LEU A 102 1.900 0.822 -5.689 1.00 0.00 H new ATOM 0 HA LEU A 102 3.633 -1.220 -4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.883 0.699 -3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.231 0.119 -3.492 1.00 0.00 H new ATOM 0 HG LEU A 102 1.739 -1.780 -2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 102 3.996 -2.259 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.905 -2.382 -3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.650 -0.954 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.496 -0.705 -0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.051 0.703 -0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.319 0.297 -0.931 1.00 0.00 H new ATOM 1553 N GLN A 103 2.318 -3.102 -5.796 1.00 0.00 N ATOM 1554 CA GLN A 103 1.664 -4.370 -6.072 1.00 0.00 C ATOM 1555 C GLN A 103 1.426 -5.138 -4.770 1.00 0.00 C ATOM 1556 O GLN A 103 2.356 -5.708 -4.202 1.00 0.00 O ATOM 1557 CB GLN A 103 2.481 -5.204 -7.060 1.00 0.00 C ATOM 1558 CG GLN A 103 1.691 -6.429 -7.527 1.00 0.00 C ATOM 1559 CD GLN A 103 2.486 -7.233 -8.558 1.00 0.00 C ATOM 1560 OE1 GLN A 103 3.509 -6.802 -9.065 1.00 0.00 O ATOM 1561 NE2 GLN A 103 1.960 -8.421 -8.840 1.00 0.00 N ATOM 0 H GLN A 103 3.200 -2.962 -6.288 1.00 0.00 H new ATOM 0 HA GLN A 103 0.697 -4.166 -6.533 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.753 -4.592 -7.920 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.411 -5.524 -6.590 1.00 0.00 H new ATOM 0 HG2 GLN A 103 1.454 -7.061 -6.671 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.743 -6.111 -7.961 1.00 0.00 H new ATOM 0 HE21 GLN A 103 1.101 -8.721 -8.379 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.416 -9.033 -9.517 1.00 0.00 H new ATOM 1570 N ILE A 104 0.174 -5.129 -4.335 1.00 0.00 N ATOM 1571 CA ILE A 104 -0.198 -5.818 -3.111 1.00 0.00 C ATOM 1572 C ILE A 104 -1.166 -6.954 -3.445 1.00 0.00 C ATOM 1573 O ILE A 104 -1.799 -6.946 -4.500 1.00 0.00 O ATOM 1574 CB ILE A 104 -0.745 -4.826 -2.083 1.00 0.00 C ATOM 1575 CG1 ILE A 104 -2.024 -4.157 -2.593 1.00 0.00 C ATOM 1576 CG2 ILE A 104 0.320 -3.800 -1.690 1.00 0.00 C ATOM 1577 CD1 ILE A 104 -2.868 -3.630 -1.431 1.00 0.00 C ATOM 0 H ILE A 104 -0.595 -4.655 -4.809 1.00 0.00 H new ATOM 0 HA ILE A 104 0.678 -6.271 -2.647 1.00 0.00 H new ATOM 0 HB ILE A 104 -1.008 -5.379 -1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.767 -3.336 -3.262 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.606 -4.872 -3.175 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -0.095 -3.107 -0.958 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.178 -4.314 -1.257 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.637 -3.247 -2.574 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -3.771 -3.160 -1.821 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -3.144 -4.457 -0.777 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.292 -2.897 -0.866 1.00 0.00 H new ATOM 1589 N PHE A 105 -1.251 -7.906 -2.527 1.00 0.00 N ATOM 1590 CA PHE A 105 -2.131 -9.047 -2.710 1.00 0.00 C ATOM 1591 C PHE A 105 -3.021 -9.256 -1.484 1.00 0.00 C ATOM 1592 O PHE A 105 -2.525 -9.360 -0.363 1.00 0.00 O ATOM 1593 CB PHE A 105 -1.238 -10.276 -2.893 1.00 0.00 C ATOM 1594 CG PHE A 105 -0.214 -10.138 -4.021 1.00 0.00 C ATOM 1595 CD1 PHE A 105 0.892 -9.365 -3.845 1.00 0.00 C ATOM 1596 CD2 PHE A 105 -0.408 -10.788 -5.200 1.00 0.00 C ATOM 1597 CE1 PHE A 105 1.843 -9.237 -4.891 1.00 0.00 C ATOM 1598 CE2 PHE A 105 0.543 -10.660 -6.246 1.00 0.00 C ATOM 1599 CZ PHE A 105 1.649 -9.887 -6.070 1.00 0.00 C ATOM 0 H PHE A 105 -0.724 -7.910 -1.654 1.00 0.00 H new ATOM 0 HA PHE A 105 -2.779 -8.883 -3.571 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -0.711 -10.472 -1.959 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -1.867 -11.144 -3.091 1.00 0.00 H new ATOM 0 HD1 PHE A 105 1.046 -8.849 -2.909 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -1.286 -11.402 -5.340 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.721 -8.623 -4.751 1.00 0.00 H new ATOM 0 HE2 PHE A 105 0.389 -11.176 -7.182 1.00 0.00 H new ATOM 0 HZ PHE A 105 2.372 -9.790 -6.866 1.00 0.00 H new ATOM 1609 N PRO A 106 -4.355 -9.312 -1.744 1.00 0.00 N ATOM 1610 CA PRO A 106 -5.319 -9.507 -0.674 1.00 0.00 C ATOM 1611 C PRO A 106 -5.316 -10.959 -0.191 1.00 0.00 C ATOM 1612 O PRO A 106 -5.757 -11.856 -0.908 1.00 0.00 O ATOM 1613 CB PRO A 106 -6.653 -9.079 -1.264 1.00 0.00 C ATOM 1614 CG PRO A 106 -6.468 -9.103 -2.772 1.00 0.00 C ATOM 1615 CD PRO A 106 -4.978 -9.193 -3.059 1.00 0.00 C ATOM 0 HA PRO A 106 -5.086 -8.921 0.215 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -7.451 -9.756 -0.957 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -6.930 -8.083 -0.920 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -6.992 -9.954 -3.207 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -6.890 -8.204 -3.222 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -4.747 -10.054 -3.686 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -4.622 -8.309 -3.587 1.00 0.00 H new ATOM 1623 N ARG A 107 -4.815 -11.145 1.021 1.00 0.00 N ATOM 1624 CA ARG A 107 -4.749 -12.473 1.608 1.00 0.00 C ATOM 1625 C ARG A 107 -6.156 -12.984 1.922 1.00 0.00 C ATOM 1626 O ARG A 107 -6.691 -12.721 2.998 1.00 0.00 O ATOM 1627 CB ARG A 107 -3.917 -12.467 2.892 1.00 0.00 C ATOM 1628 CG ARG A 107 -2.605 -13.229 2.698 1.00 0.00 C ATOM 1629 CD ARG A 107 -2.157 -13.890 4.004 1.00 0.00 C ATOM 1630 NE ARG A 107 -2.676 -15.274 4.074 1.00 0.00 N ATOM 1631 CZ ARG A 107 -2.280 -16.180 4.979 1.00 0.00 C ATOM 1632 NH1 ARG A 107 -1.358 -15.853 5.894 1.00 0.00 N ATOM 1633 NH2 ARG A 107 -2.805 -17.412 4.967 1.00 0.00 N ATOM 0 H ARG A 107 -4.451 -10.398 1.613 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.272 -13.133 0.883 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -3.705 -11.439 3.187 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.489 -12.920 3.702 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -2.732 -13.989 1.927 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -1.831 -12.545 2.348 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -1.069 -13.897 4.063 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.518 -13.314 4.856 1.00 0.00 H new ATOM 0 HE ARG A 107 -3.379 -15.556 3.391 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -0.958 -14.915 5.902 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -1.056 -16.542 6.583 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -3.506 -17.661 4.269 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -2.504 -18.101 5.656 1.00 0.00 H new