USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 601 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 26 ASN : amide:sc= -3.61 K(o=-3.6,f=-5.1!) USER MOD Set 1.2: A 28 ASN : amide:sc= -0.0404 K(o=-3.6,f=-2.9) USER MOD Set 2.1: A 16 THR OG1 : rot -140:sc= -2.58! USER MOD Set 2.2: A 19 ASN : amide:sc= -7.5! K(o=-10!,f=-4.9) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -2.04 K(o=-2,f=-1.1) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -118:sc= -1.19 (180deg=-1.83) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 140:sc= -0.36 (180deg=-2.21!) USER MOD Single : A 45 ASN : amide:sc= -1.62! X(o=-1.6!,f=-1.6) USER MOD Single : A 54 THR OG1 : rot -140:sc= -0.988 USER MOD Single : A 56 THR OG1 : rot 137:sc= -1.37! USER MOD Single : A 57 ASN : amide:sc= -3.91! C(o=-3.9!,f=-12!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -3.27! USER MOD Single : A 73 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.032) USER MOD Single : A 78 THR OG1 : rot 117:sc= 0.306 USER MOD Single : A 81 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.00478) USER MOD Single : A 85 ASN : amide:sc= -3.62! C(o=-3.6!,f=-6.2!) USER MOD Single : A 88 LYS NZ :NH3+ -126:sc= -0.0291 (180deg=-0.529) USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 15 70.295 9.491 -2.315 1.00 0.00 N ATOM 191 CA THR A 15 70.090 10.282 -1.069 1.00 0.00 C ATOM 192 C THR A 15 71.400 10.958 -0.661 1.00 0.00 C ATOM 193 O THR A 15 71.425 11.849 0.165 1.00 0.00 O ATOM 194 CB THR A 15 69.643 9.253 -0.020 1.00 0.00 C ATOM 195 OG1 THR A 15 68.852 9.901 0.966 1.00 0.00 O ATOM 196 CG2 THR A 15 70.860 8.600 0.647 1.00 0.00 C ATOM 0 HA THR A 15 69.354 11.077 -1.188 1.00 0.00 H new ATOM 0 HB THR A 15 69.058 8.477 -0.514 1.00 0.00 H new ATOM 0 HG1 THR A 15 68.564 9.247 1.636 1.00 0.00 H new ATOM 0 HG21 THR A 15 70.523 7.874 1.387 1.00 0.00 H new ATOM 0 HG22 THR A 15 71.462 8.095 -0.109 1.00 0.00 H new ATOM 0 HG23 THR A 15 71.461 9.366 1.137 1.00 0.00 H new ATOM 204 N THR A 16 72.485 10.529 -1.235 1.00 0.00 N ATOM 205 CA THR A 16 73.804 11.132 -0.885 1.00 0.00 C ATOM 206 C THR A 16 74.622 11.404 -2.149 1.00 0.00 C ATOM 207 O THR A 16 74.315 10.900 -3.212 1.00 0.00 O ATOM 208 CB THR A 16 74.505 10.085 -0.019 1.00 0.00 C ATOM 209 OG1 THR A 16 73.757 8.878 -0.031 1.00 0.00 O ATOM 210 CG2 THR A 16 74.619 10.598 1.415 1.00 0.00 C ATOM 0 H THR A 16 72.519 9.786 -1.933 1.00 0.00 H new ATOM 0 HA THR A 16 73.690 12.085 -0.368 1.00 0.00 H new ATOM 0 HB THR A 16 75.502 9.898 -0.418 1.00 0.00 H new ATOM 0 HG1 THR A 16 73.756 8.485 0.867 1.00 0.00 H new ATOM 0 HG21 THR A 16 75.119 9.850 2.030 1.00 0.00 H new ATOM 0 HG22 THR A 16 75.197 11.522 1.426 1.00 0.00 H new ATOM 0 HG23 THR A 16 73.623 10.789 1.814 1.00 0.00 H new ATOM 218 N PRO A 17 75.642 12.199 -1.983 1.00 0.00 N ATOM 219 CA PRO A 17 76.528 12.555 -3.114 1.00 0.00 C ATOM 220 C PRO A 17 77.487 11.402 -3.429 1.00 0.00 C ATOM 221 O PRO A 17 77.785 11.125 -4.573 1.00 0.00 O ATOM 222 CB PRO A 17 77.295 13.767 -2.598 1.00 0.00 C ATOM 223 CG PRO A 17 77.280 13.635 -1.106 1.00 0.00 C ATOM 224 CD PRO A 17 76.058 12.838 -0.731 1.00 0.00 C ATOM 0 HA PRO A 17 75.983 12.758 -4.036 1.00 0.00 H new ATOM 0 HB2 PRO A 17 78.315 13.780 -2.982 1.00 0.00 H new ATOM 0 HB3 PRO A 17 76.823 14.697 -2.916 1.00 0.00 H new ATOM 0 HG2 PRO A 17 78.184 13.136 -0.757 1.00 0.00 H new ATOM 0 HG3 PRO A 17 77.256 14.618 -0.635 1.00 0.00 H new ATOM 0 HD2 PRO A 17 76.286 12.098 0.036 1.00 0.00 H new ATOM 0 HD3 PRO A 17 75.272 13.479 -0.332 1.00 0.00 H new ATOM 232 N PHE A 18 77.979 10.732 -2.420 1.00 0.00 N ATOM 233 CA PHE A 18 78.925 9.606 -2.666 1.00 0.00 C ATOM 234 C PHE A 18 78.173 8.273 -2.718 1.00 0.00 C ATOM 235 O PHE A 18 77.731 7.757 -1.713 1.00 0.00 O ATOM 236 CB PHE A 18 79.888 9.632 -1.480 1.00 0.00 C ATOM 237 CG PHE A 18 80.698 10.905 -1.518 1.00 0.00 C ATOM 238 CD1 PHE A 18 81.827 10.991 -2.341 1.00 0.00 C ATOM 239 CD2 PHE A 18 80.318 11.999 -0.733 1.00 0.00 C ATOM 240 CE1 PHE A 18 82.578 12.172 -2.379 1.00 0.00 C ATOM 241 CE2 PHE A 18 81.068 13.181 -0.770 1.00 0.00 C ATOM 242 CZ PHE A 18 82.197 13.268 -1.594 1.00 0.00 C ATOM 0 H PHE A 18 77.767 10.916 -1.439 1.00 0.00 H new ATOM 0 HA PHE A 18 79.445 9.709 -3.618 1.00 0.00 H new ATOM 0 HB2 PHE A 18 79.332 9.570 -0.545 1.00 0.00 H new ATOM 0 HB3 PHE A 18 80.549 8.766 -1.516 1.00 0.00 H new ATOM 0 HD1 PHE A 18 82.119 10.146 -2.947 1.00 0.00 H new ATOM 0 HD2 PHE A 18 79.446 11.932 -0.099 1.00 0.00 H new ATOM 0 HE1 PHE A 18 83.450 12.238 -3.013 1.00 0.00 H new ATOM 0 HE2 PHE A 18 80.776 14.025 -0.163 1.00 0.00 H new ATOM 0 HZ PHE A 18 82.774 14.180 -1.624 1.00 0.00 H new ATOM 252 N ASN A 19 78.035 7.711 -3.887 1.00 0.00 N ATOM 253 CA ASN A 19 77.328 6.411 -4.018 1.00 0.00 C ATOM 254 C ASN A 19 78.109 5.504 -4.962 1.00 0.00 C ATOM 255 O ASN A 19 78.850 5.962 -5.809 1.00 0.00 O ATOM 256 CB ASN A 19 75.963 6.759 -4.607 1.00 0.00 C ATOM 257 CG ASN A 19 75.372 7.954 -3.857 1.00 0.00 C ATOM 258 OD1 ASN A 19 74.820 8.853 -4.460 1.00 0.00 O ATOM 259 ND2 ASN A 19 75.464 8.002 -2.556 1.00 0.00 N ATOM 0 H ASN A 19 78.385 8.101 -4.762 1.00 0.00 H new ATOM 0 HA ASN A 19 77.230 5.885 -3.068 1.00 0.00 H new ATOM 0 HB2 ASN A 19 76.062 6.994 -5.667 1.00 0.00 H new ATOM 0 HB3 ASN A 19 75.294 5.902 -4.532 1.00 0.00 H new ATOM 0 HD21 ASN A 19 75.073 8.794 -2.046 1.00 0.00 H new ATOM 0 HD22 ASN A 19 75.927 7.248 -2.049 1.00 0.00 H new ATOM 266 N LEU A 20 77.963 4.223 -4.815 1.00 0.00 N ATOM 267 CA LEU A 20 78.715 3.291 -5.697 1.00 0.00 C ATOM 268 C LEU A 20 78.223 1.853 -5.514 1.00 0.00 C ATOM 269 O LEU A 20 77.287 1.590 -4.782 1.00 0.00 O ATOM 270 CB LEU A 20 80.185 3.443 -5.273 1.00 0.00 C ATOM 271 CG LEU A 20 80.449 2.781 -3.909 1.00 0.00 C ATOM 272 CD1 LEU A 20 79.334 3.116 -2.918 1.00 0.00 C ATOM 273 CD2 LEU A 20 80.530 1.267 -4.082 1.00 0.00 C ATOM 0 H LEU A 20 77.358 3.779 -4.125 1.00 0.00 H new ATOM 0 HA LEU A 20 78.577 3.520 -6.754 1.00 0.00 H new ATOM 0 HB2 LEU A 20 80.831 2.994 -6.028 1.00 0.00 H new ATOM 0 HB3 LEU A 20 80.443 4.501 -5.221 1.00 0.00 H new ATOM 0 HG LEU A 20 81.392 3.162 -3.518 1.00 0.00 H new ATOM 0 HD11 LEU A 20 79.542 2.637 -1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 20 79.282 4.196 -2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 20 78.382 2.754 -3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 20 80.717 0.800 -3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 20 79.589 0.896 -4.488 1.00 0.00 H new ATOM 0 HD23 LEU A 20 81.342 1.022 -4.766 1.00 0.00 H new ATOM 285 N PHE A 21 78.847 0.921 -6.184 1.00 0.00 N ATOM 286 CA PHE A 21 78.421 -0.503 -6.071 1.00 0.00 C ATOM 287 C PHE A 21 79.410 -1.292 -5.208 1.00 0.00 C ATOM 288 O PHE A 21 80.598 -1.036 -5.213 1.00 0.00 O ATOM 289 CB PHE A 21 78.434 -1.022 -7.509 1.00 0.00 C ATOM 290 CG PHE A 21 77.806 -2.393 -7.569 1.00 0.00 C ATOM 291 CD1 PHE A 21 78.410 -3.473 -6.912 1.00 0.00 C ATOM 292 CD2 PHE A 21 76.618 -2.585 -8.286 1.00 0.00 C ATOM 293 CE1 PHE A 21 77.826 -4.743 -6.973 1.00 0.00 C ATOM 294 CE2 PHE A 21 76.036 -3.856 -8.347 1.00 0.00 C ATOM 295 CZ PHE A 21 76.639 -4.936 -7.691 1.00 0.00 C ATOM 0 H PHE A 21 79.637 1.086 -6.807 1.00 0.00 H new ATOM 0 HA PHE A 21 77.444 -0.608 -5.600 1.00 0.00 H new ATOM 0 HB2 PHE A 21 77.890 -0.335 -8.157 1.00 0.00 H new ATOM 0 HB3 PHE A 21 79.458 -1.066 -7.879 1.00 0.00 H new ATOM 0 HD1 PHE A 21 79.326 -3.325 -6.359 1.00 0.00 H new ATOM 0 HD2 PHE A 21 76.151 -1.752 -8.791 1.00 0.00 H new ATOM 0 HE1 PHE A 21 78.291 -5.575 -6.466 1.00 0.00 H new ATOM 0 HE2 PHE A 21 75.121 -4.004 -8.901 1.00 0.00 H new ATOM 0 HZ PHE A 21 76.189 -5.917 -7.739 1.00 0.00 H new ATOM 305 N ILE A 22 78.929 -2.258 -4.479 1.00 0.00 N ATOM 306 CA ILE A 22 79.833 -3.074 -3.625 1.00 0.00 C ATOM 307 C ILE A 22 79.380 -4.530 -3.675 1.00 0.00 C ATOM 308 O ILE A 22 78.213 -4.817 -3.836 1.00 0.00 O ATOM 309 CB ILE A 22 79.681 -2.495 -2.212 1.00 0.00 C ATOM 310 CG1 ILE A 22 80.683 -1.356 -2.019 1.00 0.00 C ATOM 311 CG2 ILE A 22 79.954 -3.580 -1.164 1.00 0.00 C ATOM 312 CD1 ILE A 22 79.993 -0.179 -1.328 1.00 0.00 C ATOM 0 H ILE A 22 77.944 -2.519 -4.438 1.00 0.00 H new ATOM 0 HA ILE A 22 80.873 -3.045 -3.950 1.00 0.00 H new ATOM 0 HB ILE A 22 78.663 -2.124 -2.091 1.00 0.00 H new ATOM 0 HG12 ILE A 22 81.527 -1.698 -1.421 1.00 0.00 H new ATOM 0 HG13 ILE A 22 81.082 -1.042 -2.983 1.00 0.00 H new ATOM 0 HG21 ILE A 22 79.843 -3.157 -0.165 1.00 0.00 H new ATOM 0 HG22 ILE A 22 79.244 -4.397 -1.293 1.00 0.00 H new ATOM 0 HG23 ILE A 22 80.969 -3.958 -1.287 1.00 0.00 H new ATOM 0 HD11 ILE A 22 80.708 0.632 -1.191 1.00 0.00 H new ATOM 0 HD12 ILE A 22 79.163 0.169 -1.943 1.00 0.00 H new ATOM 0 HD13 ILE A 22 79.615 -0.498 -0.357 1.00 0.00 H new ATOM 324 N GLY A 23 80.283 -5.450 -3.536 1.00 0.00 N ATOM 325 CA GLY A 23 79.878 -6.880 -3.576 1.00 0.00 C ATOM 326 C GLY A 23 80.810 -7.708 -2.695 1.00 0.00 C ATOM 327 O GLY A 23 81.420 -7.206 -1.775 1.00 0.00 O ATOM 0 H GLY A 23 81.279 -5.279 -3.397 1.00 0.00 H new ATOM 0 HA2 GLY A 23 78.849 -6.985 -3.232 1.00 0.00 H new ATOM 0 HA3 GLY A 23 79.911 -7.248 -4.602 1.00 0.00 H new ATOM 331 N ASN A 24 80.915 -8.976 -2.968 1.00 0.00 N ATOM 332 CA ASN A 24 81.802 -9.846 -2.142 1.00 0.00 C ATOM 333 C ASN A 24 81.236 -9.978 -0.727 1.00 0.00 C ATOM 334 O ASN A 24 81.959 -9.936 0.248 1.00 0.00 O ATOM 335 CB ASN A 24 83.153 -9.127 -2.112 1.00 0.00 C ATOM 336 CG ASN A 24 84.281 -10.160 -2.122 1.00 0.00 C ATOM 337 OD1 ASN A 24 84.702 -10.608 -3.169 1.00 0.00 O ATOM 338 ND2 ASN A 24 84.794 -10.558 -0.990 1.00 0.00 N ATOM 0 H ASN A 24 80.426 -9.451 -3.727 1.00 0.00 H new ATOM 0 HA ASN A 24 81.887 -10.853 -2.549 1.00 0.00 H new ATOM 0 HB2 ASN A 24 83.244 -8.465 -2.973 1.00 0.00 H new ATOM 0 HB3 ASN A 24 83.225 -8.503 -1.221 1.00 0.00 H new ATOM 0 HD21 ASN A 24 85.548 -11.245 -0.985 1.00 0.00 H new ATOM 0 HD22 ASN A 24 84.441 -10.182 -0.110 1.00 0.00 H new ATOM 345 N LEU A 25 79.947 -10.137 -0.608 1.00 0.00 N ATOM 346 CA LEU A 25 79.334 -10.271 0.744 1.00 0.00 C ATOM 347 C LEU A 25 79.406 -11.724 1.212 1.00 0.00 C ATOM 348 O LEU A 25 80.095 -12.541 0.634 1.00 0.00 O ATOM 349 CB LEU A 25 77.879 -9.835 0.567 1.00 0.00 C ATOM 350 CG LEU A 25 77.810 -8.312 0.430 1.00 0.00 C ATOM 351 CD1 LEU A 25 78.568 -7.660 1.587 1.00 0.00 C ATOM 352 CD2 LEU A 25 78.446 -7.889 -0.895 1.00 0.00 C ATOM 0 H LEU A 25 79.291 -10.180 -1.388 1.00 0.00 H new ATOM 0 HA LEU A 25 79.849 -9.669 1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 25 77.452 -10.309 -0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 25 77.285 -10.160 1.421 1.00 0.00 H new ATOM 0 HG LEU A 25 76.768 -7.994 0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 25 78.519 -6.576 1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 25 78.116 -7.960 2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 25 79.610 -7.979 1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.397 -6.804 -0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 25 79.488 -8.208 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 25 77.907 -8.352 -1.722 1.00 0.00 H new ATOM 364 N ASN A 26 78.702 -12.050 2.258 1.00 0.00 N ATOM 365 CA ASN A 26 78.729 -13.449 2.767 1.00 0.00 C ATOM 366 C ASN A 26 77.321 -14.049 2.735 1.00 0.00 C ATOM 367 O ASN A 26 76.475 -13.691 3.529 1.00 0.00 O ATOM 368 CB ASN A 26 79.232 -13.331 4.204 1.00 0.00 C ATOM 369 CG ASN A 26 79.233 -14.711 4.863 1.00 0.00 C ATOM 370 OD1 ASN A 26 79.556 -15.699 4.232 1.00 0.00 O ATOM 371 ND2 ASN A 26 78.880 -14.823 6.115 1.00 0.00 N ATOM 0 H ASN A 26 78.108 -11.408 2.783 1.00 0.00 H new ATOM 0 HA ASN A 26 79.363 -14.100 2.165 1.00 0.00 H new ATOM 0 HB2 ASN A 26 80.238 -12.911 4.214 1.00 0.00 H new ATOM 0 HB3 ASN A 26 78.596 -12.648 4.768 1.00 0.00 H new ATOM 0 HD21 ASN A 26 78.875 -15.739 6.564 1.00 0.00 H new ATOM 0 HD22 ASN A 26 78.609 -13.994 6.645 1.00 0.00 H new ATOM 378 N PRO A 27 77.121 -14.944 1.808 1.00 0.00 N ATOM 379 CA PRO A 27 75.803 -15.605 1.659 1.00 0.00 C ATOM 380 C PRO A 27 75.581 -16.611 2.793 1.00 0.00 C ATOM 381 O PRO A 27 74.523 -17.197 2.917 1.00 0.00 O ATOM 382 CB PRO A 27 75.910 -16.316 0.312 1.00 0.00 C ATOM 383 CG PRO A 27 77.375 -16.530 0.101 1.00 0.00 C ATOM 384 CD PRO A 27 78.096 -15.418 0.821 1.00 0.00 C ATOM 0 HA PRO A 27 74.965 -14.909 1.702 1.00 0.00 H new ATOM 0 HB2 PRO A 27 75.370 -17.263 0.322 1.00 0.00 H new ATOM 0 HB3 PRO A 27 75.480 -15.713 -0.488 1.00 0.00 H new ATOM 0 HG2 PRO A 27 77.682 -17.502 0.488 1.00 0.00 H new ATOM 0 HG3 PRO A 27 77.616 -16.520 -0.962 1.00 0.00 H new ATOM 0 HD2 PRO A 27 79.007 -15.777 1.300 1.00 0.00 H new ATOM 0 HD3 PRO A 27 78.389 -14.623 0.136 1.00 0.00 H new ATOM 392 N ASN A 28 76.568 -16.812 3.624 1.00 0.00 N ATOM 393 CA ASN A 28 76.410 -17.776 4.751 1.00 0.00 C ATOM 394 C ASN A 28 75.634 -17.115 5.891 1.00 0.00 C ATOM 395 O ASN A 28 75.091 -17.775 6.754 1.00 0.00 O ATOM 396 CB ASN A 28 77.836 -18.110 5.191 1.00 0.00 C ATOM 397 CG ASN A 28 78.531 -18.921 4.096 1.00 0.00 C ATOM 398 OD1 ASN A 28 79.592 -18.554 3.633 1.00 0.00 O ATOM 399 ND2 ASN A 28 77.973 -20.017 3.658 1.00 0.00 N ATOM 0 H ASN A 28 77.476 -16.351 3.571 1.00 0.00 H new ATOM 0 HA ASN A 28 75.858 -18.670 4.462 1.00 0.00 H new ATOM 0 HB2 ASN A 28 78.392 -17.193 5.387 1.00 0.00 H new ATOM 0 HB3 ASN A 28 77.817 -18.677 6.122 1.00 0.00 H new ATOM 0 HD21 ASN A 28 78.428 -20.564 2.927 1.00 0.00 H new ATOM 0 HD22 ASN A 28 77.082 -20.326 4.046 1.00 0.00 H new ATOM 406 N LYS A 29 75.577 -15.814 5.891 1.00 0.00 N ATOM 407 CA LYS A 29 74.835 -15.093 6.962 1.00 0.00 C ATOM 408 C LYS A 29 73.645 -14.352 6.355 1.00 0.00 C ATOM 409 O LYS A 29 73.144 -14.715 5.310 1.00 0.00 O ATOM 410 CB LYS A 29 75.847 -14.109 7.547 1.00 0.00 C ATOM 411 CG LYS A 29 76.142 -14.488 9.000 1.00 0.00 C ATOM 412 CD LYS A 29 74.975 -14.051 9.887 1.00 0.00 C ATOM 413 CE LYS A 29 74.982 -14.867 11.182 1.00 0.00 C ATOM 414 NZ LYS A 29 73.643 -15.518 11.231 1.00 0.00 N ATOM 0 H LYS A 29 76.015 -15.215 5.191 1.00 0.00 H new ATOM 0 HA LYS A 29 74.438 -15.763 7.725 1.00 0.00 H new ATOM 0 HB2 LYS A 29 76.766 -14.125 6.962 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.454 -13.093 7.497 1.00 0.00 H new ATOM 0 HG2 LYS A 29 76.293 -15.564 9.083 1.00 0.00 H new ATOM 0 HG3 LYS A 29 77.064 -14.010 9.332 1.00 0.00 H new ATOM 0 HD2 LYS A 29 75.056 -12.988 10.114 1.00 0.00 H new ATOM 0 HD3 LYS A 29 74.031 -14.193 9.360 1.00 0.00 H new ATOM 0 HE2 LYS A 29 75.782 -15.608 11.178 1.00 0.00 H new ATOM 0 HE3 LYS A 29 75.143 -14.229 12.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 73.570 -16.097 12.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 72.902 -14.788 11.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 73.521 -16.124 10.395 1.00 0.00 H new ATOM 428 N SER A 30 73.186 -13.316 6.997 1.00 0.00 N ATOM 429 CA SER A 30 72.028 -12.561 6.445 1.00 0.00 C ATOM 430 C SER A 30 72.505 -11.313 5.711 1.00 0.00 C ATOM 431 O SER A 30 73.421 -10.633 6.138 1.00 0.00 O ATOM 432 CB SER A 30 71.195 -12.154 7.652 1.00 0.00 C ATOM 433 OG SER A 30 71.319 -13.141 8.667 1.00 0.00 O ATOM 0 H SER A 30 73.560 -12.960 7.877 1.00 0.00 H new ATOM 0 HA SER A 30 71.462 -13.164 5.735 1.00 0.00 H new ATOM 0 HB2 SER A 30 71.528 -11.187 8.028 1.00 0.00 H new ATOM 0 HB3 SER A 30 70.150 -12.042 7.365 1.00 0.00 H new ATOM 0 HG SER A 30 70.784 -12.879 9.445 1.00 0.00 H new ATOM 439 N VAL A 31 71.883 -10.992 4.616 1.00 0.00 N ATOM 440 CA VAL A 31 72.302 -9.778 3.875 1.00 0.00 C ATOM 441 C VAL A 31 72.015 -8.545 4.729 1.00 0.00 C ATOM 442 O VAL A 31 72.708 -7.551 4.656 1.00 0.00 O ATOM 443 CB VAL A 31 71.472 -9.771 2.591 1.00 0.00 C ATOM 444 CG1 VAL A 31 72.116 -8.824 1.578 1.00 0.00 C ATOM 445 CG2 VAL A 31 71.428 -11.183 2.001 1.00 0.00 C ATOM 0 H VAL A 31 71.109 -11.513 4.205 1.00 0.00 H new ATOM 0 HA VAL A 31 73.367 -9.771 3.645 1.00 0.00 H new ATOM 0 HB VAL A 31 70.459 -9.438 2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 31 71.527 -8.817 0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 31 72.153 -7.817 1.994 1.00 0.00 H new ATOM 0 HG13 VAL A 31 73.128 -9.162 1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 31 70.836 -11.177 1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 31 72.441 -11.515 1.775 1.00 0.00 H new ATOM 0 HG23 VAL A 31 70.975 -11.864 2.721 1.00 0.00 H new ATOM 455 N ALA A 32 71.008 -8.612 5.559 1.00 0.00 N ATOM 456 CA ALA A 32 70.695 -7.452 6.437 1.00 0.00 C ATOM 457 C ALA A 32 71.842 -7.252 7.427 1.00 0.00 C ATOM 458 O ALA A 32 72.234 -6.141 7.730 1.00 0.00 O ATOM 459 CB ALA A 32 69.408 -7.836 7.169 1.00 0.00 C ATOM 0 H ALA A 32 70.392 -9.418 5.665 1.00 0.00 H new ATOM 0 HA ALA A 32 70.572 -6.522 5.882 1.00 0.00 H new ATOM 0 HB1 ALA A 32 69.114 -7.027 7.837 1.00 0.00 H new ATOM 0 HB2 ALA A 32 68.615 -8.013 6.442 1.00 0.00 H new ATOM 0 HB3 ALA A 32 69.576 -8.743 7.750 1.00 0.00 H new ATOM 465 N GLU A 33 72.394 -8.327 7.917 1.00 0.00 N ATOM 466 CA GLU A 33 73.531 -8.213 8.870 1.00 0.00 C ATOM 467 C GLU A 33 74.740 -7.640 8.135 1.00 0.00 C ATOM 468 O GLU A 33 75.556 -6.943 8.706 1.00 0.00 O ATOM 469 CB GLU A 33 73.810 -9.644 9.336 1.00 0.00 C ATOM 470 CG GLU A 33 72.596 -10.182 10.096 1.00 0.00 C ATOM 471 CD GLU A 33 72.427 -9.410 11.405 1.00 0.00 C ATOM 472 OE1 GLU A 33 73.344 -9.440 12.210 1.00 0.00 O ATOM 473 OE2 GLU A 33 71.385 -8.802 11.582 1.00 0.00 O ATOM 0 H GLU A 33 72.106 -9.281 7.698 1.00 0.00 H new ATOM 0 HA GLU A 33 73.314 -7.557 9.713 1.00 0.00 H new ATOM 0 HB2 GLU A 33 74.026 -10.281 8.478 1.00 0.00 H new ATOM 0 HB3 GLU A 33 74.691 -9.663 9.977 1.00 0.00 H new ATOM 0 HG2 GLU A 33 71.699 -10.083 9.485 1.00 0.00 H new ATOM 0 HG3 GLU A 33 72.725 -11.244 10.303 1.00 0.00 H new ATOM 480 N LEU A 34 74.853 -7.917 6.863 1.00 0.00 N ATOM 481 CA LEU A 34 75.996 -7.374 6.088 1.00 0.00 C ATOM 482 C LEU A 34 75.861 -5.857 6.005 1.00 0.00 C ATOM 483 O LEU A 34 76.822 -5.126 6.144 1.00 0.00 O ATOM 484 CB LEU A 34 75.874 -8.012 4.704 1.00 0.00 C ATOM 485 CG LEU A 34 76.736 -9.274 4.648 1.00 0.00 C ATOM 486 CD1 LEU A 34 78.215 -8.888 4.727 1.00 0.00 C ATOM 487 CD2 LEU A 34 76.386 -10.184 5.827 1.00 0.00 C ATOM 0 H LEU A 34 74.202 -8.495 6.332 1.00 0.00 H new ATOM 0 HA LEU A 34 76.964 -7.592 6.539 1.00 0.00 H new ATOM 0 HB2 LEU A 34 74.833 -8.260 4.496 1.00 0.00 H new ATOM 0 HB3 LEU A 34 76.193 -7.306 3.937 1.00 0.00 H new ATOM 0 HG LEU A 34 76.547 -9.800 3.712 1.00 0.00 H new ATOM 0 HD11 LEU A 34 78.829 -9.788 4.687 1.00 0.00 H new ATOM 0 HD12 LEU A 34 78.467 -8.239 3.888 1.00 0.00 H new ATOM 0 HD13 LEU A 34 78.404 -8.361 5.662 1.00 0.00 H new ATOM 0 HD21 LEU A 34 77.000 -11.084 5.787 1.00 0.00 H new ATOM 0 HD22 LEU A 34 76.575 -9.657 6.762 1.00 0.00 H new ATOM 0 HD23 LEU A 34 75.333 -10.461 5.773 1.00 0.00 H new ATOM 499 N LYS A 35 74.666 -5.376 5.805 1.00 0.00 N ATOM 500 CA LYS A 35 74.460 -3.905 5.740 1.00 0.00 C ATOM 501 C LYS A 35 74.939 -3.280 7.048 1.00 0.00 C ATOM 502 O LYS A 35 75.764 -2.388 7.059 1.00 0.00 O ATOM 503 CB LYS A 35 72.951 -3.717 5.564 1.00 0.00 C ATOM 504 CG LYS A 35 72.612 -3.647 4.073 1.00 0.00 C ATOM 505 CD LYS A 35 72.247 -5.043 3.566 1.00 0.00 C ATOM 506 CE LYS A 35 73.487 -5.706 2.962 1.00 0.00 C ATOM 507 NZ LYS A 35 73.688 -5.023 1.653 1.00 0.00 N ATOM 0 H LYS A 35 73.824 -5.939 5.684 1.00 0.00 H new ATOM 0 HA LYS A 35 75.012 -3.432 4.928 1.00 0.00 H new ATOM 0 HB2 LYS A 35 72.415 -4.543 6.031 1.00 0.00 H new ATOM 0 HB3 LYS A 35 72.627 -2.804 6.064 1.00 0.00 H new ATOM 0 HG2 LYS A 35 71.781 -2.961 3.910 1.00 0.00 H new ATOM 0 HG3 LYS A 35 73.462 -3.256 3.514 1.00 0.00 H new ATOM 0 HD2 LYS A 35 71.860 -5.649 4.385 1.00 0.00 H new ATOM 0 HD3 LYS A 35 71.457 -4.975 2.818 1.00 0.00 H new ATOM 0 HE2 LYS A 35 74.355 -5.583 3.609 1.00 0.00 H new ATOM 0 HE3 LYS A 35 73.337 -6.778 2.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 73.601 -5.716 0.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 72.968 -4.282 1.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 74.635 -4.594 1.627 1.00 0.00 H new ATOM 521 N VAL A 36 74.451 -3.767 8.156 1.00 0.00 N ATOM 522 CA VAL A 36 74.904 -3.225 9.466 1.00 0.00 C ATOM 523 C VAL A 36 76.378 -3.546 9.648 1.00 0.00 C ATOM 524 O VAL A 36 77.107 -2.810 10.273 1.00 0.00 O ATOM 525 CB VAL A 36 74.073 -3.957 10.513 1.00 0.00 C ATOM 526 CG1 VAL A 36 74.182 -3.229 11.854 1.00 0.00 C ATOM 527 CG2 VAL A 36 72.609 -3.999 10.072 1.00 0.00 C ATOM 0 H VAL A 36 73.760 -4.515 8.210 1.00 0.00 H new ATOM 0 HA VAL A 36 74.781 -2.145 9.541 1.00 0.00 H new ATOM 0 HB VAL A 36 74.446 -4.975 10.621 1.00 0.00 H new ATOM 0 HG11 VAL A 36 73.587 -3.753 12.602 1.00 0.00 H new ATOM 0 HG12 VAL A 36 75.225 -3.205 12.171 1.00 0.00 H new ATOM 0 HG13 VAL A 36 73.812 -2.210 11.746 1.00 0.00 H new ATOM 0 HG21 VAL A 36 72.018 -4.523 10.823 1.00 0.00 H new ATOM 0 HG22 VAL A 36 72.234 -2.982 9.960 1.00 0.00 H new ATOM 0 HG23 VAL A 36 72.531 -4.522 9.119 1.00 0.00 H new ATOM 537 N ALA A 37 76.830 -4.634 9.091 1.00 0.00 N ATOM 538 CA ALA A 37 78.267 -4.977 9.223 1.00 0.00 C ATOM 539 C ALA A 37 79.088 -3.895 8.535 1.00 0.00 C ATOM 540 O ALA A 37 80.199 -3.603 8.920 1.00 0.00 O ATOM 541 CB ALA A 37 78.432 -6.323 8.516 1.00 0.00 C ATOM 0 H ALA A 37 76.269 -5.295 8.554 1.00 0.00 H new ATOM 0 HA ALA A 37 78.599 -5.041 10.259 1.00 0.00 H new ATOM 0 HB1 ALA A 37 79.473 -6.639 8.574 1.00 0.00 H new ATOM 0 HB2 ALA A 37 77.799 -7.068 8.999 1.00 0.00 H new ATOM 0 HB3 ALA A 37 78.141 -6.223 7.470 1.00 0.00 H new ATOM 547 N ILE A 38 78.532 -3.282 7.527 1.00 0.00 N ATOM 548 CA ILE A 38 79.266 -2.197 6.823 1.00 0.00 C ATOM 549 C ILE A 38 79.065 -0.883 7.577 1.00 0.00 C ATOM 550 O ILE A 38 79.913 -0.012 7.563 1.00 0.00 O ATOM 551 CB ILE A 38 78.635 -2.125 5.430 1.00 0.00 C ATOM 552 CG1 ILE A 38 78.950 -3.408 4.656 1.00 0.00 C ATOM 553 CG2 ILE A 38 79.207 -0.924 4.673 1.00 0.00 C ATOM 554 CD1 ILE A 38 80.430 -3.758 4.814 1.00 0.00 C ATOM 0 H ILE A 38 77.602 -3.486 7.162 1.00 0.00 H new ATOM 0 HA ILE A 38 80.339 -2.380 6.764 1.00 0.00 H new ATOM 0 HB ILE A 38 77.555 -2.016 5.528 1.00 0.00 H new ATOM 0 HG12 ILE A 38 78.332 -4.227 5.024 1.00 0.00 H new ATOM 0 HG13 ILE A 38 78.709 -3.276 3.601 1.00 0.00 H new ATOM 0 HG21 ILE A 38 78.758 -0.872 3.681 1.00 0.00 H new ATOM 0 HG22 ILE A 38 78.984 -0.009 5.221 1.00 0.00 H new ATOM 0 HG23 ILE A 38 80.287 -1.035 4.577 1.00 0.00 H new ATOM 0 HD11 ILE A 38 80.649 -4.672 4.261 1.00 0.00 H new ATOM 0 HD12 ILE A 38 81.040 -2.943 4.424 1.00 0.00 H new ATOM 0 HD13 ILE A 38 80.658 -3.909 5.869 1.00 0.00 H new ATOM 566 N SER A 39 77.956 -0.740 8.255 1.00 0.00 N ATOM 567 CA SER A 39 77.722 0.516 9.023 1.00 0.00 C ATOM 568 C SER A 39 78.487 0.439 10.341 1.00 0.00 C ATOM 569 O SER A 39 78.897 1.438 10.903 1.00 0.00 O ATOM 570 CB SER A 39 76.215 0.558 9.272 1.00 0.00 C ATOM 571 OG SER A 39 75.908 1.668 10.105 1.00 0.00 O ATOM 0 H SER A 39 77.209 -1.432 8.309 1.00 0.00 H new ATOM 0 HA SER A 39 78.060 1.408 8.496 1.00 0.00 H new ATOM 0 HB2 SER A 39 75.680 0.640 8.326 1.00 0.00 H new ATOM 0 HB3 SER A 39 75.887 -0.368 9.744 1.00 0.00 H new ATOM 0 HG SER A 39 74.942 1.699 10.266 1.00 0.00 H new ATOM 577 N GLU A 40 78.693 -0.750 10.825 1.00 0.00 N ATOM 578 CA GLU A 40 79.439 -0.929 12.095 1.00 0.00 C ATOM 579 C GLU A 40 80.937 -0.874 11.814 1.00 0.00 C ATOM 580 O GLU A 40 81.710 -0.347 12.589 1.00 0.00 O ATOM 581 CB GLU A 40 79.023 -2.308 12.583 1.00 0.00 C ATOM 582 CG GLU A 40 78.746 -2.263 14.086 1.00 0.00 C ATOM 583 CD GLU A 40 80.070 -2.291 14.853 1.00 0.00 C ATOM 584 OE1 GLU A 40 80.925 -3.082 14.489 1.00 0.00 O ATOM 585 OE2 GLU A 40 80.205 -1.523 15.791 1.00 0.00 O ATOM 0 H GLU A 40 78.372 -1.615 10.389 1.00 0.00 H new ATOM 0 HA GLU A 40 79.227 -0.157 12.835 1.00 0.00 H new ATOM 0 HB2 GLU A 40 78.132 -2.639 12.049 1.00 0.00 H new ATOM 0 HB3 GLU A 40 79.810 -3.032 12.370 1.00 0.00 H new ATOM 0 HG2 GLU A 40 78.188 -1.361 14.336 1.00 0.00 H new ATOM 0 HG3 GLU A 40 78.127 -3.112 14.378 1.00 0.00 H new ATOM 592 N LEU A 41 81.346 -1.402 10.696 1.00 0.00 N ATOM 593 CA LEU A 41 82.790 -1.368 10.340 1.00 0.00 C ATOM 594 C LEU A 41 83.181 0.062 9.992 1.00 0.00 C ATOM 595 O LEU A 41 84.298 0.487 10.208 1.00 0.00 O ATOM 596 CB LEU A 41 82.929 -2.272 9.114 1.00 0.00 C ATOM 597 CG LEU A 41 84.293 -2.962 9.133 1.00 0.00 C ATOM 598 CD1 LEU A 41 84.285 -4.084 10.173 1.00 0.00 C ATOM 599 CD2 LEU A 41 84.581 -3.552 7.752 1.00 0.00 C ATOM 0 H LEU A 41 80.741 -1.857 10.012 1.00 0.00 H new ATOM 0 HA LEU A 41 83.432 -1.703 11.155 1.00 0.00 H new ATOM 0 HB2 LEU A 41 82.134 -3.018 9.108 1.00 0.00 H new ATOM 0 HB3 LEU A 41 82.821 -1.684 8.203 1.00 0.00 H new ATOM 0 HG LEU A 41 85.064 -2.236 9.389 1.00 0.00 H new ATOM 0 HD11 LEU A 41 85.258 -4.575 10.186 1.00 0.00 H new ATOM 0 HD12 LEU A 41 84.077 -3.666 11.158 1.00 0.00 H new ATOM 0 HD13 LEU A 41 83.515 -4.811 9.917 1.00 0.00 H new ATOM 0 HD21 LEU A 41 85.553 -4.045 7.762 1.00 0.00 H new ATOM 0 HD22 LEU A 41 83.809 -4.278 7.498 1.00 0.00 H new ATOM 0 HD23 LEU A 41 84.587 -2.754 7.009 1.00 0.00 H new ATOM 611 N PHE A 42 82.259 0.812 9.456 1.00 0.00 N ATOM 612 CA PHE A 42 82.562 2.216 9.096 1.00 0.00 C ATOM 613 C PHE A 42 82.227 3.125 10.275 1.00 0.00 C ATOM 614 O PHE A 42 82.632 4.263 10.330 1.00 0.00 O ATOM 615 CB PHE A 42 81.650 2.507 7.914 1.00 0.00 C ATOM 616 CG PHE A 42 82.299 2.019 6.640 1.00 0.00 C ATOM 617 CD1 PHE A 42 83.122 0.885 6.663 1.00 0.00 C ATOM 618 CD2 PHE A 42 82.074 2.696 5.436 1.00 0.00 C ATOM 619 CE1 PHE A 42 83.720 0.431 5.482 1.00 0.00 C ATOM 620 CE2 PHE A 42 82.673 2.240 4.255 1.00 0.00 C ATOM 621 CZ PHE A 42 83.496 1.108 4.278 1.00 0.00 C ATOM 0 H PHE A 42 81.307 0.508 9.253 1.00 0.00 H new ATOM 0 HA PHE A 42 83.611 2.381 8.851 1.00 0.00 H new ATOM 0 HB2 PHE A 42 80.687 2.015 8.055 1.00 0.00 H new ATOM 0 HB3 PHE A 42 81.455 3.577 7.848 1.00 0.00 H new ATOM 0 HD1 PHE A 42 83.295 0.362 7.592 1.00 0.00 H new ATOM 0 HD2 PHE A 42 81.439 3.569 5.418 1.00 0.00 H new ATOM 0 HE1 PHE A 42 84.355 -0.443 5.500 1.00 0.00 H new ATOM 0 HE2 PHE A 42 82.500 2.762 3.326 1.00 0.00 H new ATOM 0 HZ PHE A 42 83.958 0.757 3.367 1.00 0.00 H new ATOM 631 N ALA A 43 81.492 2.627 11.224 1.00 0.00 N ATOM 632 CA ALA A 43 81.146 3.466 12.404 1.00 0.00 C ATOM 633 C ALA A 43 82.213 3.290 13.482 1.00 0.00 C ATOM 634 O ALA A 43 82.458 4.169 14.285 1.00 0.00 O ATOM 635 CB ALA A 43 79.804 2.936 12.887 1.00 0.00 C ATOM 0 H ALA A 43 81.116 1.679 11.236 1.00 0.00 H new ATOM 0 HA ALA A 43 81.095 4.528 12.165 1.00 0.00 H new ATOM 0 HB1 ALA A 43 79.480 3.506 13.758 1.00 0.00 H new ATOM 0 HB2 ALA A 43 79.065 3.037 12.092 1.00 0.00 H new ATOM 0 HB3 ALA A 43 79.904 1.885 13.157 1.00 0.00 H new ATOM 641 N LYS A 44 82.859 2.158 13.496 1.00 0.00 N ATOM 642 CA LYS A 44 83.923 1.914 14.507 1.00 0.00 C ATOM 643 C LYS A 44 85.270 2.348 13.934 1.00 0.00 C ATOM 644 O LYS A 44 86.206 2.633 14.656 1.00 0.00 O ATOM 645 CB LYS A 44 83.901 0.405 14.753 1.00 0.00 C ATOM 646 CG LYS A 44 83.898 0.132 16.258 1.00 0.00 C ATOM 647 CD LYS A 44 82.457 0.138 16.776 1.00 0.00 C ATOM 648 CE LYS A 44 82.149 -1.202 17.446 1.00 0.00 C ATOM 649 NZ LYS A 44 83.250 -1.403 18.429 1.00 0.00 N ATOM 0 H LYS A 44 82.694 1.388 12.847 1.00 0.00 H new ATOM 0 HA LYS A 44 83.765 2.471 15.431 1.00 0.00 H new ATOM 0 HB2 LYS A 44 83.018 -0.036 14.291 1.00 0.00 H new ATOM 0 HB3 LYS A 44 84.770 -0.062 14.290 1.00 0.00 H new ATOM 0 HG2 LYS A 44 84.366 -0.831 16.465 1.00 0.00 H new ATOM 0 HG3 LYS A 44 84.485 0.890 16.777 1.00 0.00 H new ATOM 0 HD2 LYS A 44 82.319 0.952 17.487 1.00 0.00 H new ATOM 0 HD3 LYS A 44 81.764 0.313 15.953 1.00 0.00 H new ATOM 0 HE2 LYS A 44 81.178 -1.182 17.940 1.00 0.00 H new ATOM 0 HE3 LYS A 44 82.119 -2.011 16.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 82.863 -1.806 19.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 83.956 -2.054 18.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 83.701 -0.489 18.637 1.00 0.00 H new ATOM 663 N ASN A 45 85.367 2.405 12.637 1.00 0.00 N ATOM 664 CA ASN A 45 86.638 2.827 11.999 1.00 0.00 C ATOM 665 C ASN A 45 86.753 4.349 12.039 1.00 0.00 C ATOM 666 O ASN A 45 87.674 4.888 12.616 1.00 0.00 O ATOM 667 CB ASN A 45 86.521 2.339 10.556 1.00 0.00 C ATOM 668 CG ASN A 45 87.137 0.948 10.438 1.00 0.00 C ATOM 669 OD1 ASN A 45 88.180 0.779 9.838 1.00 0.00 O ATOM 670 ND2 ASN A 45 86.529 -0.065 10.988 1.00 0.00 N ATOM 0 H ASN A 45 84.614 2.175 11.989 1.00 0.00 H new ATOM 0 HA ASN A 45 87.518 2.424 12.500 1.00 0.00 H new ATOM 0 HB2 ASN A 45 85.474 2.312 10.254 1.00 0.00 H new ATOM 0 HB3 ASN A 45 87.029 3.031 9.884 1.00 0.00 H new ATOM 0 HD21 ASN A 45 86.929 -1.001 10.915 1.00 0.00 H new ATOM 0 HD22 ASN A 45 85.654 0.078 11.492 1.00 0.00 H new ATOM 677 N ASP A 46 85.791 5.024 11.443 1.00 0.00 N ATOM 678 CA ASP A 46 85.752 6.524 11.412 1.00 0.00 C ATOM 679 C ASP A 46 85.100 7.008 10.114 1.00 0.00 C ATOM 680 O ASP A 46 85.409 8.072 9.614 1.00 0.00 O ATOM 681 CB ASP A 46 87.196 7.035 11.470 1.00 0.00 C ATOM 682 CG ASP A 46 87.550 7.416 12.910 1.00 0.00 C ATOM 683 OD1 ASP A 46 86.638 7.716 13.663 1.00 0.00 O ATOM 684 OD2 ASP A 46 88.725 7.402 13.235 1.00 0.00 O ATOM 0 H ASP A 46 85.008 4.580 10.963 1.00 0.00 H new ATOM 0 HA ASP A 46 85.172 6.898 12.256 1.00 0.00 H new ATOM 0 HB2 ASP A 46 87.879 6.266 11.108 1.00 0.00 H new ATOM 0 HB3 ASP A 46 87.313 7.899 10.816 1.00 0.00 H new ATOM 689 N LEU A 47 84.206 6.241 9.564 1.00 0.00 N ATOM 690 CA LEU A 47 83.540 6.656 8.305 1.00 0.00 C ATOM 691 C LEU A 47 82.127 7.156 8.610 1.00 0.00 C ATOM 692 O LEU A 47 81.821 7.547 9.718 1.00 0.00 O ATOM 693 CB LEU A 47 83.503 5.386 7.452 1.00 0.00 C ATOM 694 CG LEU A 47 84.689 5.391 6.490 1.00 0.00 C ATOM 695 CD1 LEU A 47 85.984 5.193 7.280 1.00 0.00 C ATOM 696 CD2 LEU A 47 84.529 4.254 5.477 1.00 0.00 C ATOM 0 H LEU A 47 83.907 5.339 9.935 1.00 0.00 H new ATOM 0 HA LEU A 47 84.058 7.469 7.796 1.00 0.00 H new ATOM 0 HB2 LEU A 47 83.542 4.504 8.091 1.00 0.00 H new ATOM 0 HB3 LEU A 47 82.568 5.335 6.895 1.00 0.00 H new ATOM 0 HG LEU A 47 84.727 6.344 5.962 1.00 0.00 H new ATOM 0 HD11 LEU A 47 86.832 5.196 6.595 1.00 0.00 H new ATOM 0 HD12 LEU A 47 86.097 6.002 8.002 1.00 0.00 H new ATOM 0 HD13 LEU A 47 85.947 4.239 7.807 1.00 0.00 H new ATOM 0 HD21 LEU A 47 85.375 4.257 4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 47 84.492 3.300 6.003 1.00 0.00 H new ATOM 0 HD23 LEU A 47 83.605 4.394 4.915 1.00 0.00 H new ATOM 708 N ALA A 48 81.267 7.146 7.636 1.00 0.00 N ATOM 709 CA ALA A 48 79.873 7.619 7.868 1.00 0.00 C ATOM 710 C ALA A 48 78.933 7.031 6.818 1.00 0.00 C ATOM 711 O ALA A 48 78.351 7.740 6.022 1.00 0.00 O ATOM 712 CB ALA A 48 79.943 9.141 7.740 1.00 0.00 C ATOM 0 H ALA A 48 81.466 6.831 6.687 1.00 0.00 H new ATOM 0 HA ALA A 48 79.489 7.312 8.841 1.00 0.00 H new ATOM 0 HB1 ALA A 48 78.952 9.565 7.898 1.00 0.00 H new ATOM 0 HB2 ALA A 48 80.631 9.538 8.487 1.00 0.00 H new ATOM 0 HB3 ALA A 48 80.296 9.406 6.744 1.00 0.00 H new ATOM 718 N VAL A 49 78.777 5.738 6.815 1.00 0.00 N ATOM 719 CA VAL A 49 77.881 5.095 5.835 1.00 0.00 C ATOM 720 C VAL A 49 76.506 5.745 5.891 1.00 0.00 C ATOM 721 O VAL A 49 75.825 5.726 6.898 1.00 0.00 O ATOM 722 CB VAL A 49 77.818 3.637 6.274 1.00 0.00 C ATOM 723 CG1 VAL A 49 79.142 2.945 5.946 1.00 0.00 C ATOM 724 CG2 VAL A 49 77.568 3.568 7.783 1.00 0.00 C ATOM 0 H VAL A 49 79.240 5.098 7.460 1.00 0.00 H new ATOM 0 HA VAL A 49 78.232 5.192 4.808 1.00 0.00 H new ATOM 0 HB VAL A 49 77.006 3.136 5.747 1.00 0.00 H new ATOM 0 HG11 VAL A 49 79.095 1.902 6.261 1.00 0.00 H new ATOM 0 HG12 VAL A 49 79.321 2.992 4.872 1.00 0.00 H new ATOM 0 HG13 VAL A 49 79.955 3.447 6.472 1.00 0.00 H new ATOM 0 HG21 VAL A 49 77.523 2.525 8.097 1.00 0.00 H new ATOM 0 HG22 VAL A 49 78.379 4.071 8.310 1.00 0.00 H new ATOM 0 HG23 VAL A 49 76.624 4.059 8.018 1.00 0.00 H new ATOM 734 N VAL A 50 76.110 6.329 4.809 1.00 0.00 N ATOM 735 CA VAL A 50 74.785 7.011 4.754 1.00 0.00 C ATOM 736 C VAL A 50 73.705 6.024 4.309 1.00 0.00 C ATOM 737 O VAL A 50 72.597 6.039 4.806 1.00 0.00 O ATOM 738 CB VAL A 50 74.951 8.138 3.726 1.00 0.00 C ATOM 739 CG1 VAL A 50 73.952 9.256 4.028 1.00 0.00 C ATOM 740 CG2 VAL A 50 76.372 8.706 3.801 1.00 0.00 C ATOM 0 H VAL A 50 76.649 6.368 3.944 1.00 0.00 H new ATOM 0 HA VAL A 50 74.479 7.398 5.726 1.00 0.00 H new ATOM 0 HB VAL A 50 74.770 7.738 2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 50 74.070 10.057 3.298 1.00 0.00 H new ATOM 0 HG12 VAL A 50 72.937 8.862 3.973 1.00 0.00 H new ATOM 0 HG13 VAL A 50 74.136 9.648 5.028 1.00 0.00 H new ATOM 0 HG21 VAL A 50 76.483 9.506 3.069 1.00 0.00 H new ATOM 0 HG22 VAL A 50 76.554 9.101 4.800 1.00 0.00 H new ATOM 0 HG23 VAL A 50 77.092 7.916 3.587 1.00 0.00 H new ATOM 750 N ASP A 51 74.016 5.165 3.376 1.00 0.00 N ATOM 751 CA ASP A 51 72.994 4.183 2.912 1.00 0.00 C ATOM 752 C ASP A 51 73.663 2.888 2.438 1.00 0.00 C ATOM 753 O ASP A 51 74.824 2.866 2.083 1.00 0.00 O ATOM 754 CB ASP A 51 72.280 4.873 1.750 1.00 0.00 C ATOM 755 CG ASP A 51 70.804 5.065 2.101 1.00 0.00 C ATOM 756 OD1 ASP A 51 70.511 5.247 3.271 1.00 0.00 O ATOM 757 OD2 ASP A 51 69.990 5.028 1.192 1.00 0.00 O ATOM 0 H ASP A 51 74.925 5.100 2.918 1.00 0.00 H new ATOM 0 HA ASP A 51 72.305 3.904 3.710 1.00 0.00 H new ATOM 0 HB2 ASP A 51 72.745 5.837 1.545 1.00 0.00 H new ATOM 0 HB3 ASP A 51 72.375 4.274 0.844 1.00 0.00 H new ATOM 762 N VAL A 52 72.927 1.812 2.423 1.00 0.00 N ATOM 763 CA VAL A 52 73.495 0.513 1.965 1.00 0.00 C ATOM 764 C VAL A 52 72.424 -0.278 1.211 1.00 0.00 C ATOM 765 O VAL A 52 71.242 -0.031 1.356 1.00 0.00 O ATOM 766 CB VAL A 52 73.907 -0.228 3.242 1.00 0.00 C ATOM 767 CG1 VAL A 52 72.657 -0.705 3.984 1.00 0.00 C ATOM 768 CG2 VAL A 52 74.769 -1.437 2.871 1.00 0.00 C ATOM 0 H VAL A 52 71.949 1.776 2.711 1.00 0.00 H new ATOM 0 HA VAL A 52 74.341 0.647 1.291 1.00 0.00 H new ATOM 0 HB VAL A 52 74.475 0.445 3.884 1.00 0.00 H new ATOM 0 HG11 VAL A 52 72.951 -1.232 4.892 1.00 0.00 H new ATOM 0 HG12 VAL A 52 72.040 0.154 4.247 1.00 0.00 H new ATOM 0 HG13 VAL A 52 72.088 -1.378 3.343 1.00 0.00 H new ATOM 0 HG21 VAL A 52 75.063 -1.966 3.777 1.00 0.00 H new ATOM 0 HG22 VAL A 52 74.198 -2.108 2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 52 75.660 -1.100 2.342 1.00 0.00 H new ATOM 778 N ARG A 53 72.819 -1.226 0.410 1.00 0.00 N ATOM 779 CA ARG A 53 71.815 -2.027 -0.346 1.00 0.00 C ATOM 780 C ARG A 53 72.398 -3.391 -0.710 1.00 0.00 C ATOM 781 O ARG A 53 73.593 -3.602 -0.653 1.00 0.00 O ATOM 782 CB ARG A 53 71.524 -1.213 -1.607 1.00 0.00 C ATOM 783 CG ARG A 53 70.219 -0.434 -1.424 1.00 0.00 C ATOM 784 CD ARG A 53 69.313 -0.664 -2.635 1.00 0.00 C ATOM 785 NE ARG A 53 67.942 -0.803 -2.069 1.00 0.00 N ATOM 786 CZ ARG A 53 66.946 -1.133 -2.845 1.00 0.00 C ATOM 787 NH1 ARG A 53 66.967 -0.808 -4.108 1.00 0.00 N ATOM 788 NH2 ARG A 53 65.928 -1.790 -2.358 1.00 0.00 N ATOM 0 H ARG A 53 73.793 -1.482 0.245 1.00 0.00 H new ATOM 0 HA ARG A 53 70.911 -2.212 0.235 1.00 0.00 H new ATOM 0 HB2 ARG A 53 72.346 -0.525 -1.806 1.00 0.00 H new ATOM 0 HB3 ARG A 53 71.447 -1.875 -2.470 1.00 0.00 H new ATOM 0 HG2 ARG A 53 69.715 -0.757 -0.513 1.00 0.00 H new ATOM 0 HG3 ARG A 53 70.431 0.629 -1.312 1.00 0.00 H new ATOM 0 HD2 ARG A 53 69.369 0.171 -3.334 1.00 0.00 H new ATOM 0 HD3 ARG A 53 69.606 -1.559 -3.183 1.00 0.00 H new ATOM 0 HE ARG A 53 67.782 -0.640 -1.075 1.00 0.00 H new ATOM 0 HH11 ARG A 53 67.762 -0.296 -4.490 1.00 0.00 H new ATOM 0 HH12 ARG A 53 66.188 -1.066 -4.714 1.00 0.00 H new ATOM 0 HH21 ARG A 53 65.911 -2.045 -1.371 1.00 0.00 H new ATOM 0 HH22 ARG A 53 65.150 -2.048 -2.965 1.00 0.00 H new ATOM 802 N THR A 54 71.565 -4.319 -1.084 1.00 0.00 N ATOM 803 CA THR A 54 72.075 -5.671 -1.451 1.00 0.00 C ATOM 804 C THR A 54 71.780 -5.974 -2.918 1.00 0.00 C ATOM 805 O THR A 54 70.861 -5.441 -3.506 1.00 0.00 O ATOM 806 CB THR A 54 71.350 -6.673 -0.543 1.00 0.00 C ATOM 807 OG1 THR A 54 71.132 -7.880 -1.261 1.00 0.00 O ATOM 808 CG2 THR A 54 70.001 -6.115 -0.073 1.00 0.00 C ATOM 0 H THR A 54 70.554 -4.202 -1.152 1.00 0.00 H new ATOM 0 HA THR A 54 73.155 -5.730 -1.319 1.00 0.00 H new ATOM 0 HB THR A 54 71.971 -6.859 0.333 1.00 0.00 H new ATOM 0 HG1 THR A 54 70.243 -8.232 -1.047 1.00 0.00 H new ATOM 0 HG21 THR A 54 69.509 -6.846 0.569 1.00 0.00 H new ATOM 0 HG22 THR A 54 70.163 -5.193 0.485 1.00 0.00 H new ATOM 0 HG23 THR A 54 69.371 -5.909 -0.938 1.00 0.00 H new ATOM 816 N GLY A 55 72.560 -6.833 -3.508 1.00 0.00 N ATOM 817 CA GLY A 55 72.343 -7.189 -4.937 1.00 0.00 C ATOM 818 C GLY A 55 72.163 -8.702 -5.062 1.00 0.00 C ATOM 819 O GLY A 55 72.969 -9.475 -4.587 1.00 0.00 O ATOM 0 H GLY A 55 73.344 -7.307 -3.059 1.00 0.00 H new ATOM 0 HA2 GLY A 55 71.463 -6.674 -5.322 1.00 0.00 H new ATOM 0 HA3 GLY A 55 73.192 -6.862 -5.538 1.00 0.00 H new ATOM 823 N THR A 56 71.108 -9.128 -5.702 1.00 0.00 N ATOM 824 CA THR A 56 70.863 -10.593 -5.865 1.00 0.00 C ATOM 825 C THR A 56 70.461 -11.217 -4.526 1.00 0.00 C ATOM 826 O THR A 56 70.227 -10.528 -3.553 1.00 0.00 O ATOM 827 CB THR A 56 72.190 -11.176 -6.357 1.00 0.00 C ATOM 828 OG1 THR A 56 72.807 -10.255 -7.246 1.00 0.00 O ATOM 829 CG2 THR A 56 71.931 -12.495 -7.085 1.00 0.00 C ATOM 0 H THR A 56 70.402 -8.523 -6.121 1.00 0.00 H new ATOM 0 HA THR A 56 70.052 -10.796 -6.564 1.00 0.00 H new ATOM 0 HB THR A 56 72.847 -11.357 -5.506 1.00 0.00 H new ATOM 0 HG1 THR A 56 73.766 -10.203 -7.049 1.00 0.00 H new ATOM 0 HG21 THR A 56 72.877 -12.909 -7.435 1.00 0.00 H new ATOM 0 HG22 THR A 56 71.456 -13.200 -6.403 1.00 0.00 H new ATOM 0 HG23 THR A 56 71.275 -12.317 -7.937 1.00 0.00 H new ATOM 837 N ASN A 57 70.374 -12.518 -4.471 1.00 0.00 N ATOM 838 CA ASN A 57 69.980 -13.190 -3.199 1.00 0.00 C ATOM 839 C ASN A 57 70.801 -12.645 -2.026 1.00 0.00 C ATOM 840 O ASN A 57 70.258 -12.226 -1.023 1.00 0.00 O ATOM 841 CB ASN A 57 70.279 -14.674 -3.422 1.00 0.00 C ATOM 842 CG ASN A 57 71.644 -14.830 -4.092 1.00 0.00 C ATOM 843 OD1 ASN A 57 72.668 -14.690 -3.452 1.00 0.00 O ATOM 844 ND2 ASN A 57 71.705 -15.117 -5.363 1.00 0.00 N ATOM 0 H ASN A 57 70.559 -13.146 -5.253 1.00 0.00 H new ATOM 0 HA ASN A 57 68.932 -13.018 -2.954 1.00 0.00 H new ATOM 0 HB2 ASN A 57 70.268 -15.204 -2.470 1.00 0.00 H new ATOM 0 HB3 ASN A 57 69.504 -15.121 -4.045 1.00 0.00 H new ATOM 0 HD21 ASN A 57 72.611 -15.224 -5.819 1.00 0.00 H new ATOM 0 HD22 ASN A 57 70.846 -15.235 -5.901 1.00 0.00 H new ATOM 851 N ARG A 58 72.102 -12.650 -2.137 1.00 0.00 N ATOM 852 CA ARG A 58 72.942 -12.134 -1.018 1.00 0.00 C ATOM 853 C ARG A 58 74.427 -12.224 -1.375 1.00 0.00 C ATOM 854 O ARG A 58 75.219 -12.780 -0.640 1.00 0.00 O ATOM 855 CB ARG A 58 72.625 -13.046 0.165 1.00 0.00 C ATOM 856 CG ARG A 58 72.873 -14.503 -0.232 1.00 0.00 C ATOM 857 CD ARG A 58 71.545 -15.265 -0.243 1.00 0.00 C ATOM 858 NE ARG A 58 71.811 -16.486 -1.052 1.00 0.00 N ATOM 859 CZ ARG A 58 72.667 -17.375 -0.631 1.00 0.00 C ATOM 860 NH1 ARG A 58 72.589 -17.830 0.590 1.00 0.00 N ATOM 861 NH2 ARG A 58 73.604 -17.809 -1.429 1.00 0.00 N ATOM 0 H ARG A 58 72.618 -12.987 -2.950 1.00 0.00 H new ATOM 0 HA ARG A 58 72.733 -11.087 -0.800 1.00 0.00 H new ATOM 0 HB2 ARG A 58 73.247 -12.780 1.020 1.00 0.00 H new ATOM 0 HB3 ARG A 58 71.588 -12.913 0.472 1.00 0.00 H new ATOM 0 HG2 ARG A 58 73.338 -14.548 -1.217 1.00 0.00 H new ATOM 0 HG3 ARG A 58 73.565 -14.969 0.469 1.00 0.00 H new ATOM 0 HD2 ARG A 58 71.229 -15.522 0.768 1.00 0.00 H new ATOM 0 HD3 ARG A 58 70.749 -14.665 -0.683 1.00 0.00 H new ATOM 0 HE ARG A 58 71.323 -16.627 -1.937 1.00 0.00 H new ATOM 0 HH11 ARG A 58 71.858 -17.490 1.215 1.00 0.00 H new ATOM 0 HH12 ARG A 58 73.259 -18.525 0.919 1.00 0.00 H new ATOM 0 HH21 ARG A 58 73.667 -17.453 -2.383 1.00 0.00 H new ATOM 0 HH22 ARG A 58 74.273 -18.504 -1.099 1.00 0.00 H new ATOM 875 N LYS A 59 74.813 -11.681 -2.496 1.00 0.00 N ATOM 876 CA LYS A 59 76.250 -11.741 -2.889 1.00 0.00 C ATOM 877 C LYS A 59 76.781 -10.338 -3.204 1.00 0.00 C ATOM 878 O LYS A 59 77.967 -10.087 -3.139 1.00 0.00 O ATOM 879 CB LYS A 59 76.285 -12.621 -4.138 1.00 0.00 C ATOM 880 CG LYS A 59 77.668 -13.262 -4.270 1.00 0.00 C ATOM 881 CD LYS A 59 77.530 -14.645 -4.911 1.00 0.00 C ATOM 882 CE LYS A 59 78.248 -15.683 -4.044 1.00 0.00 C ATOM 883 NZ LYS A 59 78.710 -16.727 -4.999 1.00 0.00 N ATOM 0 H LYS A 59 74.200 -11.201 -3.154 1.00 0.00 H new ATOM 0 HA LYS A 59 76.875 -12.140 -2.090 1.00 0.00 H new ATOM 0 HB2 LYS A 59 75.519 -13.394 -4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 59 76.063 -12.025 -5.023 1.00 0.00 H new ATOM 0 HG2 LYS A 59 78.317 -12.631 -4.877 1.00 0.00 H new ATOM 0 HG3 LYS A 59 78.135 -13.349 -3.289 1.00 0.00 H new ATOM 0 HD2 LYS A 59 76.477 -14.907 -5.013 1.00 0.00 H new ATOM 0 HD3 LYS A 59 77.955 -14.637 -5.915 1.00 0.00 H new ATOM 0 HE2 LYS A 59 79.087 -15.238 -3.509 1.00 0.00 H new ATOM 0 HE3 LYS A 59 77.578 -16.103 -3.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 79.212 -17.475 -4.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 77.889 -17.137 -5.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 79.352 -16.300 -5.697 1.00 0.00 H new ATOM 897 N PHE A 60 75.913 -9.422 -3.541 1.00 0.00 N ATOM 898 CA PHE A 60 76.376 -8.037 -3.856 1.00 0.00 C ATOM 899 C PHE A 60 75.679 -7.034 -2.938 1.00 0.00 C ATOM 900 O PHE A 60 74.914 -7.400 -2.068 1.00 0.00 O ATOM 901 CB PHE A 60 75.982 -7.782 -5.315 1.00 0.00 C ATOM 902 CG PHE A 60 76.168 -9.039 -6.134 1.00 0.00 C ATOM 903 CD1 PHE A 60 77.285 -9.855 -5.925 1.00 0.00 C ATOM 904 CD2 PHE A 60 75.218 -9.385 -7.103 1.00 0.00 C ATOM 905 CE1 PHE A 60 77.453 -11.018 -6.686 1.00 0.00 C ATOM 906 CE2 PHE A 60 75.386 -10.547 -7.864 1.00 0.00 C ATOM 907 CZ PHE A 60 76.504 -11.365 -7.655 1.00 0.00 C ATOM 0 H PHE A 60 74.906 -9.571 -3.612 1.00 0.00 H new ATOM 0 HA PHE A 60 77.450 -7.928 -3.709 1.00 0.00 H new ATOM 0 HB2 PHE A 60 74.943 -7.456 -5.367 1.00 0.00 H new ATOM 0 HB3 PHE A 60 76.590 -6.977 -5.728 1.00 0.00 H new ATOM 0 HD1 PHE A 60 78.017 -9.588 -5.177 1.00 0.00 H new ATOM 0 HD2 PHE A 60 74.356 -8.755 -7.263 1.00 0.00 H new ATOM 0 HE1 PHE A 60 78.315 -11.648 -6.525 1.00 0.00 H new ATOM 0 HE2 PHE A 60 74.654 -10.813 -8.612 1.00 0.00 H new ATOM 0 HZ PHE A 60 76.634 -12.263 -8.241 1.00 0.00 H new ATOM 917 N GLY A 61 75.935 -5.770 -3.126 1.00 0.00 N ATOM 918 CA GLY A 61 75.282 -4.746 -2.263 1.00 0.00 C ATOM 919 C GLY A 61 75.800 -3.350 -2.614 1.00 0.00 C ATOM 920 O GLY A 61 76.984 -3.137 -2.779 1.00 0.00 O ATOM 0 H GLY A 61 76.566 -5.402 -3.838 1.00 0.00 H new ATOM 0 HA2 GLY A 61 74.201 -4.784 -2.395 1.00 0.00 H new ATOM 0 HA3 GLY A 61 75.482 -4.963 -1.214 1.00 0.00 H new ATOM 924 N TYR A 62 74.914 -2.397 -2.719 1.00 0.00 N ATOM 925 CA TYR A 62 75.343 -1.003 -3.050 1.00 0.00 C ATOM 926 C TYR A 62 75.438 -0.186 -1.771 1.00 0.00 C ATOM 927 O TYR A 62 75.025 -0.624 -0.716 1.00 0.00 O ATOM 928 CB TYR A 62 74.258 -0.430 -3.974 1.00 0.00 C ATOM 929 CG TYR A 62 73.701 -1.513 -4.871 1.00 0.00 C ATOM 930 CD1 TYR A 62 74.533 -2.537 -5.340 1.00 0.00 C ATOM 931 CD2 TYR A 62 72.348 -1.492 -5.231 1.00 0.00 C ATOM 932 CE1 TYR A 62 74.013 -3.538 -6.168 1.00 0.00 C ATOM 933 CE2 TYR A 62 71.828 -2.493 -6.060 1.00 0.00 C ATOM 934 CZ TYR A 62 72.660 -3.516 -6.529 1.00 0.00 C ATOM 935 OH TYR A 62 72.147 -4.503 -7.345 1.00 0.00 O ATOM 0 H TYR A 62 73.910 -2.521 -2.590 1.00 0.00 H new ATOM 0 HA TYR A 62 76.320 -0.980 -3.534 1.00 0.00 H new ATOM 0 HB2 TYR A 62 73.456 0.005 -3.377 1.00 0.00 H new ATOM 0 HB3 TYR A 62 74.676 0.374 -4.580 1.00 0.00 H new ATOM 0 HD1 TYR A 62 75.577 -2.554 -5.063 1.00 0.00 H new ATOM 0 HD2 TYR A 62 71.705 -0.703 -4.869 1.00 0.00 H new ATOM 0 HE1 TYR A 62 74.655 -4.328 -6.529 1.00 0.00 H new ATOM 0 HE2 TYR A 62 70.784 -2.476 -6.338 1.00 0.00 H new ATOM 0 HH TYR A 62 71.193 -4.339 -7.497 1.00 0.00 H new ATOM 945 N VAL A 63 75.996 0.987 -1.844 1.00 0.00 N ATOM 946 CA VAL A 63 76.128 1.801 -0.609 1.00 0.00 C ATOM 947 C VAL A 63 76.304 3.285 -0.942 1.00 0.00 C ATOM 948 O VAL A 63 76.647 3.655 -2.048 1.00 0.00 O ATOM 949 CB VAL A 63 77.381 1.246 0.062 1.00 0.00 C ATOM 950 CG1 VAL A 63 77.898 2.240 1.091 1.00 0.00 C ATOM 951 CG2 VAL A 63 77.053 -0.077 0.755 1.00 0.00 C ATOM 0 H VAL A 63 76.362 1.413 -2.695 1.00 0.00 H new ATOM 0 HA VAL A 63 75.244 1.741 0.027 1.00 0.00 H new ATOM 0 HB VAL A 63 78.146 1.079 -0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 63 78.793 1.839 1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 63 78.141 3.181 0.598 1.00 0.00 H new ATOM 0 HG13 VAL A 63 77.132 2.413 1.847 1.00 0.00 H new ATOM 0 HG21 VAL A 63 77.951 -0.470 1.233 1.00 0.00 H new ATOM 0 HG22 VAL A 63 76.283 0.088 1.509 1.00 0.00 H new ATOM 0 HG23 VAL A 63 76.691 -0.794 0.018 1.00 0.00 H new ATOM 961 N ASP A 64 76.073 4.131 0.022 1.00 0.00 N ATOM 962 CA ASP A 64 76.220 5.593 -0.194 1.00 0.00 C ATOM 963 C ASP A 64 77.063 6.193 0.933 1.00 0.00 C ATOM 964 O ASP A 64 76.935 5.815 2.082 1.00 0.00 O ATOM 965 CB ASP A 64 74.798 6.133 -0.141 1.00 0.00 C ATOM 966 CG ASP A 64 73.882 5.261 -1.002 1.00 0.00 C ATOM 967 OD1 ASP A 64 73.755 4.086 -0.700 1.00 0.00 O ATOM 968 OD2 ASP A 64 73.321 5.784 -1.952 1.00 0.00 O ATOM 0 H ASP A 64 75.784 3.865 0.964 1.00 0.00 H new ATOM 0 HA ASP A 64 76.715 5.837 -1.134 1.00 0.00 H new ATOM 0 HB2 ASP A 64 74.442 6.145 0.889 1.00 0.00 H new ATOM 0 HB3 ASP A 64 74.776 7.163 -0.498 1.00 0.00 H new ATOM 973 N PHE A 65 77.924 7.119 0.617 1.00 0.00 N ATOM 974 CA PHE A 65 78.777 7.732 1.675 1.00 0.00 C ATOM 975 C PHE A 65 78.379 9.188 1.919 1.00 0.00 C ATOM 976 O PHE A 65 77.523 9.731 1.249 1.00 0.00 O ATOM 977 CB PHE A 65 80.202 7.626 1.139 1.00 0.00 C ATOM 978 CG PHE A 65 80.638 6.185 1.229 1.00 0.00 C ATOM 979 CD1 PHE A 65 80.408 5.463 2.406 1.00 0.00 C ATOM 980 CD2 PHE A 65 81.257 5.567 0.137 1.00 0.00 C ATOM 981 CE1 PHE A 65 80.794 4.123 2.492 1.00 0.00 C ATOM 982 CE2 PHE A 65 81.647 4.225 0.224 1.00 0.00 C ATOM 983 CZ PHE A 65 81.414 3.503 1.402 1.00 0.00 C ATOM 0 H PHE A 65 78.075 7.478 -0.326 1.00 0.00 H new ATOM 0 HA PHE A 65 78.669 7.229 2.636 1.00 0.00 H new ATOM 0 HB2 PHE A 65 80.245 7.972 0.106 1.00 0.00 H new ATOM 0 HB3 PHE A 65 80.873 8.262 1.717 1.00 0.00 H new ATOM 0 HD1 PHE A 65 79.932 5.942 3.248 1.00 0.00 H new ATOM 0 HD2 PHE A 65 81.434 6.124 -0.771 1.00 0.00 H new ATOM 0 HE1 PHE A 65 80.614 3.566 3.400 1.00 0.00 H new ATOM 0 HE2 PHE A 65 82.127 3.747 -0.617 1.00 0.00 H new ATOM 0 HZ PHE A 65 81.713 2.467 1.468 1.00 0.00 H new ATOM 993 N GLU A 66 78.976 9.811 2.897 1.00 0.00 N ATOM 994 CA GLU A 66 78.611 11.221 3.214 1.00 0.00 C ATOM 995 C GLU A 66 79.765 12.175 2.910 1.00 0.00 C ATOM 996 O GLU A 66 79.740 13.329 3.288 1.00 0.00 O ATOM 997 CB GLU A 66 78.309 11.214 4.714 1.00 0.00 C ATOM 998 CG GLU A 66 76.804 11.360 4.940 1.00 0.00 C ATOM 999 CD GLU A 66 76.510 12.726 5.565 1.00 0.00 C ATOM 1000 OE1 GLU A 66 76.862 12.916 6.717 1.00 0.00 O ATOM 1001 OE2 GLU A 66 75.938 13.558 4.880 1.00 0.00 O ATOM 0 H GLU A 66 79.700 9.406 3.490 1.00 0.00 H new ATOM 0 HA GLU A 66 77.767 11.564 2.616 1.00 0.00 H new ATOM 0 HB2 GLU A 66 78.665 10.286 5.162 1.00 0.00 H new ATOM 0 HB3 GLU A 66 78.841 12.029 5.205 1.00 0.00 H new ATOM 0 HG2 GLU A 66 76.272 11.259 3.994 1.00 0.00 H new ATOM 0 HG3 GLU A 66 76.445 10.565 5.593 1.00 0.00 H new ATOM 1008 N SER A 67 80.772 11.713 2.231 1.00 0.00 N ATOM 1009 CA SER A 67 81.915 12.623 1.914 1.00 0.00 C ATOM 1010 C SER A 67 82.922 11.975 0.977 1.00 0.00 C ATOM 1011 O SER A 67 82.867 10.797 0.679 1.00 0.00 O ATOM 1012 CB SER A 67 82.593 12.910 3.248 1.00 0.00 C ATOM 1013 OG SER A 67 82.723 11.699 3.982 1.00 0.00 O ATOM 0 H SER A 67 80.859 10.758 1.883 1.00 0.00 H new ATOM 0 HA SER A 67 81.552 13.521 1.414 1.00 0.00 H new ATOM 0 HB2 SER A 67 83.574 13.354 3.082 1.00 0.00 H new ATOM 0 HB3 SER A 67 82.008 13.632 3.818 1.00 0.00 H new ATOM 0 HG SER A 67 83.161 11.882 4.840 1.00 0.00 H new ATOM 1019 N ALA A 68 83.872 12.753 0.555 1.00 0.00 N ATOM 1020 CA ALA A 68 84.945 12.232 -0.322 1.00 0.00 C ATOM 1021 C ALA A 68 85.930 11.487 0.556 1.00 0.00 C ATOM 1022 O ALA A 68 86.659 10.617 0.122 1.00 0.00 O ATOM 1023 CB ALA A 68 85.604 13.480 -0.899 1.00 0.00 C ATOM 0 H ALA A 68 83.950 13.744 0.785 1.00 0.00 H new ATOM 0 HA ALA A 68 84.592 11.562 -1.106 1.00 0.00 H new ATOM 0 HB1 ALA A 68 86.416 13.188 -1.565 1.00 0.00 H new ATOM 0 HB2 ALA A 68 84.866 14.056 -1.457 1.00 0.00 H new ATOM 0 HB3 ALA A 68 86.002 14.090 -0.088 1.00 0.00 H new ATOM 1029 N GLU A 69 85.938 11.840 1.807 1.00 0.00 N ATOM 1030 CA GLU A 69 86.848 11.191 2.772 1.00 0.00 C ATOM 1031 C GLU A 69 86.205 9.903 3.284 1.00 0.00 C ATOM 1032 O GLU A 69 86.877 8.981 3.705 1.00 0.00 O ATOM 1033 CB GLU A 69 86.991 12.224 3.883 1.00 0.00 C ATOM 1034 CG GLU A 69 88.456 12.325 4.298 1.00 0.00 C ATOM 1035 CD GLU A 69 88.618 11.840 5.739 1.00 0.00 C ATOM 1036 OE1 GLU A 69 88.145 10.755 6.035 1.00 0.00 O ATOM 1037 OE2 GLU A 69 89.212 12.561 6.523 1.00 0.00 O ATOM 0 H GLU A 69 85.340 12.564 2.204 1.00 0.00 H new ATOM 0 HA GLU A 69 87.814 10.910 2.352 1.00 0.00 H new ATOM 0 HB2 GLU A 69 86.631 13.194 3.541 1.00 0.00 H new ATOM 0 HB3 GLU A 69 86.378 11.941 4.739 1.00 0.00 H new ATOM 0 HG2 GLU A 69 89.075 11.726 3.631 1.00 0.00 H new ATOM 0 HG3 GLU A 69 88.799 13.356 4.210 1.00 0.00 H new ATOM 1044 N ASP A 70 84.903 9.823 3.219 1.00 0.00 N ATOM 1045 CA ASP A 70 84.208 8.593 3.664 1.00 0.00 C ATOM 1046 C ASP A 70 84.232 7.607 2.507 1.00 0.00 C ATOM 1047 O ASP A 70 84.207 6.405 2.687 1.00 0.00 O ATOM 1048 CB ASP A 70 82.782 9.040 3.980 1.00 0.00 C ATOM 1049 CG ASP A 70 81.837 7.839 3.950 1.00 0.00 C ATOM 1050 OD1 ASP A 70 82.320 6.726 4.081 1.00 0.00 O ATOM 1051 OD2 ASP A 70 80.646 8.055 3.798 1.00 0.00 O ATOM 0 H ASP A 70 84.293 10.564 2.874 1.00 0.00 H new ATOM 0 HA ASP A 70 84.663 8.112 4.530 1.00 0.00 H new ATOM 0 HB2 ASP A 70 82.750 9.514 4.961 1.00 0.00 H new ATOM 0 HB3 ASP A 70 82.457 9.786 3.255 1.00 0.00 H new ATOM 1056 N LEU A 71 84.300 8.123 1.311 1.00 0.00 N ATOM 1057 CA LEU A 71 84.350 7.238 0.126 1.00 0.00 C ATOM 1058 C LEU A 71 85.785 6.745 -0.076 1.00 0.00 C ATOM 1059 O LEU A 71 86.020 5.630 -0.499 1.00 0.00 O ATOM 1060 CB LEU A 71 83.905 8.114 -1.047 1.00 0.00 C ATOM 1061 CG LEU A 71 83.795 7.257 -2.311 1.00 0.00 C ATOM 1062 CD1 LEU A 71 82.808 7.906 -3.282 1.00 0.00 C ATOM 1063 CD2 LEU A 71 85.170 7.153 -2.976 1.00 0.00 C ATOM 0 H LEU A 71 84.323 9.122 1.108 1.00 0.00 H new ATOM 0 HA LEU A 71 83.715 6.358 0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 71 82.944 8.578 -0.824 1.00 0.00 H new ATOM 0 HB3 LEU A 71 84.620 8.922 -1.203 1.00 0.00 H new ATOM 0 HG LEU A 71 83.442 6.260 -2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 71 82.729 7.296 -4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 71 81.829 7.983 -2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 71 83.161 8.902 -3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 71 85.094 6.543 -3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 71 85.522 8.150 -3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 71 85.875 6.692 -2.284 1.00 0.00 H new ATOM 1075 N GLU A 72 86.747 7.571 0.241 1.00 0.00 N ATOM 1076 CA GLU A 72 88.172 7.159 0.086 1.00 0.00 C ATOM 1077 C GLU A 72 88.550 6.188 1.204 1.00 0.00 C ATOM 1078 O GLU A 72 89.329 5.272 1.013 1.00 0.00 O ATOM 1079 CB GLU A 72 88.976 8.455 0.200 1.00 0.00 C ATOM 1080 CG GLU A 72 90.412 8.209 -0.268 1.00 0.00 C ATOM 1081 CD GLU A 72 91.353 9.188 0.434 1.00 0.00 C ATOM 1082 OE1 GLU A 72 90.924 10.298 0.708 1.00 0.00 O ATOM 1083 OE2 GLU A 72 92.486 8.813 0.686 1.00 0.00 O ATOM 0 H GLU A 72 86.606 8.515 0.601 1.00 0.00 H new ATOM 0 HA GLU A 72 88.362 6.651 -0.860 1.00 0.00 H new ATOM 0 HB2 GLU A 72 88.514 9.236 -0.404 1.00 0.00 H new ATOM 0 HB3 GLU A 72 88.974 8.807 1.232 1.00 0.00 H new ATOM 0 HG2 GLU A 72 90.707 7.183 -0.047 1.00 0.00 H new ATOM 0 HG3 GLU A 72 90.480 8.335 -1.349 1.00 0.00 H new ATOM 1090 N LYS A 73 87.976 6.358 2.365 1.00 0.00 N ATOM 1091 CA LYS A 73 88.276 5.426 3.477 1.00 0.00 C ATOM 1092 C LYS A 73 87.419 4.191 3.278 1.00 0.00 C ATOM 1093 O LYS A 73 87.730 3.111 3.739 1.00 0.00 O ATOM 1094 CB LYS A 73 87.880 6.170 4.751 1.00 0.00 C ATOM 1095 CG LYS A 73 89.126 6.434 5.599 1.00 0.00 C ATOM 1096 CD LYS A 73 89.147 7.899 6.036 1.00 0.00 C ATOM 1097 CE LYS A 73 89.209 7.978 7.563 1.00 0.00 C ATOM 1098 NZ LYS A 73 90.621 7.653 7.907 1.00 0.00 N ATOM 0 H LYS A 73 87.314 7.102 2.586 1.00 0.00 H new ATOM 0 HA LYS A 73 89.321 5.119 3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 73 87.394 7.112 4.498 1.00 0.00 H new ATOM 0 HB3 LYS A 73 87.159 5.582 5.319 1.00 0.00 H new ATOM 0 HG2 LYS A 73 89.128 5.783 6.473 1.00 0.00 H new ATOM 0 HG3 LYS A 73 90.024 6.202 5.027 1.00 0.00 H new ATOM 0 HD2 LYS A 73 90.007 8.407 5.600 1.00 0.00 H new ATOM 0 HD3 LYS A 73 88.256 8.411 5.671 1.00 0.00 H new ATOM 0 HE2 LYS A 73 88.934 8.971 7.919 1.00 0.00 H new ATOM 0 HE3 LYS A 73 88.518 7.272 8.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 90.641 6.861 8.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 91.136 7.386 7.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 91.074 8.485 8.337 1.00 0.00 H new ATOM 1112 N ALA A 74 86.340 4.351 2.563 1.00 0.00 N ATOM 1113 CA ALA A 74 85.455 3.201 2.293 1.00 0.00 C ATOM 1114 C ALA A 74 86.137 2.285 1.279 1.00 0.00 C ATOM 1115 O ALA A 74 85.951 1.085 1.277 1.00 0.00 O ATOM 1116 CB ALA A 74 84.181 3.806 1.707 1.00 0.00 C ATOM 0 H ALA A 74 86.038 5.236 2.155 1.00 0.00 H new ATOM 0 HA ALA A 74 85.237 2.609 3.182 1.00 0.00 H new ATOM 0 HB1 ALA A 74 83.472 3.010 1.480 1.00 0.00 H new ATOM 0 HB2 ALA A 74 83.738 4.491 2.429 1.00 0.00 H new ATOM 0 HB3 ALA A 74 84.423 4.349 0.793 1.00 0.00 H new ATOM 1122 N LEU A 75 86.942 2.856 0.422 1.00 0.00 N ATOM 1123 CA LEU A 75 87.661 2.046 -0.588 1.00 0.00 C ATOM 1124 C LEU A 75 88.819 1.318 0.088 1.00 0.00 C ATOM 1125 O LEU A 75 89.029 0.138 -0.114 1.00 0.00 O ATOM 1126 CB LEU A 75 88.178 3.072 -1.593 1.00 0.00 C ATOM 1127 CG LEU A 75 88.711 2.357 -2.829 1.00 0.00 C ATOM 1128 CD1 LEU A 75 90.027 1.658 -2.487 1.00 0.00 C ATOM 1129 CD2 LEU A 75 87.688 1.323 -3.302 1.00 0.00 C ATOM 0 H LEU A 75 87.130 3.858 0.383 1.00 0.00 H new ATOM 0 HA LEU A 75 87.037 1.290 -1.064 1.00 0.00 H new ATOM 0 HB2 LEU A 75 87.377 3.756 -1.874 1.00 0.00 H new ATOM 0 HB3 LEU A 75 88.967 3.673 -1.140 1.00 0.00 H new ATOM 0 HG LEU A 75 88.884 3.084 -3.623 1.00 0.00 H new ATOM 0 HD11 LEU A 75 90.408 1.147 -3.371 1.00 0.00 H new ATOM 0 HD12 LEU A 75 90.755 2.397 -2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 75 89.857 0.931 -1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 75 88.069 0.812 -4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 75 87.513 0.596 -2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 75 86.752 1.824 -3.548 1.00 0.00 H new ATOM 1141 N GLU A 76 89.566 2.013 0.904 1.00 0.00 N ATOM 1142 CA GLU A 76 90.700 1.354 1.606 1.00 0.00 C ATOM 1143 C GLU A 76 90.155 0.324 2.599 1.00 0.00 C ATOM 1144 O GLU A 76 90.828 -0.616 2.972 1.00 0.00 O ATOM 1145 CB GLU A 76 91.422 2.480 2.343 1.00 0.00 C ATOM 1146 CG GLU A 76 92.845 2.617 1.799 1.00 0.00 C ATOM 1147 CD GLU A 76 93.671 3.493 2.744 1.00 0.00 C ATOM 1148 OE1 GLU A 76 93.681 3.204 3.929 1.00 0.00 O ATOM 1149 OE2 GLU A 76 94.278 4.436 2.266 1.00 0.00 O ATOM 0 H GLU A 76 89.439 3.003 1.113 1.00 0.00 H new ATOM 0 HA GLU A 76 91.368 0.829 0.924 1.00 0.00 H new ATOM 0 HB2 GLU A 76 90.881 3.418 2.216 1.00 0.00 H new ATOM 0 HB3 GLU A 76 91.449 2.270 3.412 1.00 0.00 H new ATOM 0 HG2 GLU A 76 93.305 1.634 1.703 1.00 0.00 H new ATOM 0 HG3 GLU A 76 92.824 3.058 0.802 1.00 0.00 H new ATOM 1156 N LEU A 77 88.933 0.501 3.019 1.00 0.00 N ATOM 1157 CA LEU A 77 88.317 -0.457 3.982 1.00 0.00 C ATOM 1158 C LEU A 77 88.106 -1.816 3.319 1.00 0.00 C ATOM 1159 O LEU A 77 87.741 -2.783 3.955 1.00 0.00 O ATOM 1160 CB LEU A 77 86.975 0.165 4.328 1.00 0.00 C ATOM 1161 CG LEU A 77 87.025 0.707 5.747 1.00 0.00 C ATOM 1162 CD1 LEU A 77 86.118 1.931 5.842 1.00 0.00 C ATOM 1163 CD2 LEU A 77 86.545 -0.377 6.711 1.00 0.00 C ATOM 0 H LEU A 77 88.330 1.273 2.735 1.00 0.00 H new ATOM 0 HA LEU A 77 88.943 -0.623 4.859 1.00 0.00 H new ATOM 0 HB2 LEU A 77 86.741 0.967 3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 77 86.182 -0.578 4.238 1.00 0.00 H new ATOM 0 HG LEU A 77 88.044 0.993 6.007 1.00 0.00 H new ATOM 0 HD11 LEU A 77 86.147 2.327 6.857 1.00 0.00 H new ATOM 0 HD12 LEU A 77 86.463 2.694 5.144 1.00 0.00 H new ATOM 0 HD13 LEU A 77 85.096 1.647 5.593 1.00 0.00 H new ATOM 0 HD21 LEU A 77 86.578 0.004 7.732 1.00 0.00 H new ATOM 0 HD22 LEU A 77 85.522 -0.659 6.461 1.00 0.00 H new ATOM 0 HD23 LEU A 77 87.192 -1.250 6.628 1.00 0.00 H new ATOM 1175 N THR A 78 88.324 -1.884 2.040 1.00 0.00 N ATOM 1176 CA THR A 78 88.130 -3.171 1.307 1.00 0.00 C ATOM 1177 C THR A 78 89.161 -4.218 1.728 1.00 0.00 C ATOM 1178 O THR A 78 89.160 -5.334 1.248 1.00 0.00 O ATOM 1179 CB THR A 78 88.287 -2.817 -0.173 1.00 0.00 C ATOM 1180 OG1 THR A 78 87.464 -1.700 -0.480 1.00 0.00 O ATOM 1181 CG2 THR A 78 87.874 -4.011 -1.033 1.00 0.00 C ATOM 0 H THR A 78 88.630 -1.101 1.462 1.00 0.00 H new ATOM 0 HA THR A 78 87.156 -3.609 1.523 1.00 0.00 H new ATOM 0 HB THR A 78 89.328 -2.569 -0.379 1.00 0.00 H new ATOM 0 HG1 THR A 78 88.025 -0.947 -0.760 1.00 0.00 H new ATOM 0 HG21 THR A 78 87.987 -3.757 -2.087 1.00 0.00 H new ATOM 0 HG22 THR A 78 88.507 -4.866 -0.796 1.00 0.00 H new ATOM 0 HG23 THR A 78 86.833 -4.263 -0.830 1.00 0.00 H new ATOM 1189 N GLY A 79 90.026 -3.874 2.630 1.00 0.00 N ATOM 1190 CA GLY A 79 91.048 -4.853 3.103 1.00 0.00 C ATOM 1191 C GLY A 79 90.473 -5.638 4.284 1.00 0.00 C ATOM 1192 O GLY A 79 91.189 -6.266 5.038 1.00 0.00 O ATOM 0 H GLY A 79 90.075 -2.953 3.066 1.00 0.00 H new ATOM 0 HA2 GLY A 79 91.321 -5.533 2.296 1.00 0.00 H new ATOM 0 HA3 GLY A 79 91.958 -4.333 3.403 1.00 0.00 H new ATOM 1196 N LEU A 80 89.177 -5.597 4.448 1.00 0.00 N ATOM 1197 CA LEU A 80 88.530 -6.326 5.577 1.00 0.00 C ATOM 1198 C LEU A 80 87.870 -7.609 5.078 1.00 0.00 C ATOM 1199 O LEU A 80 88.208 -8.133 4.038 1.00 0.00 O ATOM 1200 CB LEU A 80 87.478 -5.349 6.107 1.00 0.00 C ATOM 1201 CG LEU A 80 87.971 -4.734 7.416 1.00 0.00 C ATOM 1202 CD1 LEU A 80 87.396 -3.324 7.567 1.00 0.00 C ATOM 1203 CD2 LEU A 80 87.511 -5.600 8.589 1.00 0.00 C ATOM 0 H LEU A 80 88.535 -5.085 3.843 1.00 0.00 H new ATOM 0 HA LEU A 80 89.244 -6.624 6.345 1.00 0.00 H new ATOM 0 HB2 LEU A 80 87.290 -4.566 5.372 1.00 0.00 H new ATOM 0 HB3 LEU A 80 86.533 -5.867 6.269 1.00 0.00 H new ATOM 0 HG LEU A 80 89.060 -4.682 7.406 1.00 0.00 H new ATOM 0 HD11 LEU A 80 87.748 -2.886 8.501 1.00 0.00 H new ATOM 0 HD12 LEU A 80 87.723 -2.706 6.730 1.00 0.00 H new ATOM 0 HD13 LEU A 80 86.307 -3.374 7.577 1.00 0.00 H new ATOM 0 HD21 LEU A 80 87.862 -5.163 9.524 1.00 0.00 H new ATOM 0 HD22 LEU A 80 86.422 -5.651 8.599 1.00 0.00 H new ATOM 0 HD23 LEU A 80 87.920 -6.605 8.482 1.00 0.00 H new ATOM 1215 N LYS A 81 86.941 -8.113 5.831 1.00 0.00 N ATOM 1216 CA LYS A 81 86.231 -9.368 5.441 1.00 0.00 C ATOM 1217 C LYS A 81 84.984 -9.505 6.279 1.00 0.00 C ATOM 1218 O LYS A 81 84.711 -10.526 6.874 1.00 0.00 O ATOM 1219 CB LYS A 81 87.199 -10.471 5.749 1.00 0.00 C ATOM 1220 CG LYS A 81 86.803 -11.746 5.003 1.00 0.00 C ATOM 1221 CD LYS A 81 88.060 -12.549 4.661 1.00 0.00 C ATOM 1222 CE LYS A 81 88.748 -11.930 3.443 1.00 0.00 C ATOM 1223 NZ LYS A 81 90.121 -11.590 3.908 1.00 0.00 N ATOM 0 H LYS A 81 86.635 -7.707 6.715 1.00 0.00 H new ATOM 0 HA LYS A 81 85.929 -9.382 4.394 1.00 0.00 H new ATOM 0 HB2 LYS A 81 88.207 -10.171 5.461 1.00 0.00 H new ATOM 0 HB3 LYS A 81 87.217 -10.660 6.822 1.00 0.00 H new ATOM 0 HG2 LYS A 81 86.132 -12.346 5.617 1.00 0.00 H new ATOM 0 HG3 LYS A 81 86.261 -11.493 4.092 1.00 0.00 H new ATOM 0 HD2 LYS A 81 88.742 -12.557 5.512 1.00 0.00 H new ATOM 0 HD3 LYS A 81 87.796 -13.586 4.454 1.00 0.00 H new ATOM 0 HE2 LYS A 81 88.776 -12.630 2.608 1.00 0.00 H new ATOM 0 HE3 LYS A 81 88.217 -11.043 3.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 90.692 -11.271 3.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 90.069 -10.831 4.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 90.562 -12.431 4.333 1.00 0.00 H new ATOM 1237 N VAL A 82 84.263 -8.442 6.300 1.00 0.00 N ATOM 1238 CA VAL A 82 82.975 -8.329 7.073 1.00 0.00 C ATOM 1239 C VAL A 82 82.649 -9.620 7.823 1.00 0.00 C ATOM 1240 O VAL A 82 83.370 -10.033 8.710 1.00 0.00 O ATOM 1241 CB VAL A 82 81.921 -8.016 6.010 1.00 0.00 C ATOM 1242 CG1 VAL A 82 80.604 -7.636 6.691 1.00 0.00 C ATOM 1243 CG2 VAL A 82 82.403 -6.846 5.153 1.00 0.00 C ATOM 0 H VAL A 82 84.510 -7.592 5.793 1.00 0.00 H new ATOM 0 HA VAL A 82 83.026 -7.560 7.844 1.00 0.00 H new ATOM 0 HB VAL A 82 81.765 -8.893 5.382 1.00 0.00 H new ATOM 0 HG11 VAL A 82 79.853 -7.413 5.933 1.00 0.00 H new ATOM 0 HG12 VAL A 82 80.261 -8.466 7.308 1.00 0.00 H new ATOM 0 HG13 VAL A 82 80.759 -6.758 7.318 1.00 0.00 H new ATOM 0 HG21 VAL A 82 81.655 -6.619 4.393 1.00 0.00 H new ATOM 0 HG22 VAL A 82 82.556 -5.971 5.785 1.00 0.00 H new ATOM 0 HG23 VAL A 82 83.342 -7.112 4.669 1.00 0.00 H new ATOM 1253 N PHE A 83 81.583 -10.269 7.470 1.00 0.00 N ATOM 1254 CA PHE A 83 81.224 -11.544 8.151 1.00 0.00 C ATOM 1255 C PHE A 83 82.114 -12.682 7.635 1.00 0.00 C ATOM 1256 O PHE A 83 81.888 -13.840 7.921 1.00 0.00 O ATOM 1257 CB PHE A 83 79.761 -11.793 7.779 1.00 0.00 C ATOM 1258 CG PHE A 83 78.855 -11.075 8.753 1.00 0.00 C ATOM 1259 CD1 PHE A 83 79.324 -9.960 9.460 1.00 0.00 C ATOM 1260 CD2 PHE A 83 77.544 -11.525 8.948 1.00 0.00 C ATOM 1261 CE1 PHE A 83 78.482 -9.299 10.362 1.00 0.00 C ATOM 1262 CE2 PHE A 83 76.703 -10.863 9.849 1.00 0.00 C ATOM 1263 CZ PHE A 83 77.171 -9.750 10.557 1.00 0.00 C ATOM 0 H PHE A 83 80.939 -9.974 6.736 1.00 0.00 H new ATOM 0 HA PHE A 83 81.365 -11.493 9.231 1.00 0.00 H new ATOM 0 HB2 PHE A 83 79.570 -11.443 6.765 1.00 0.00 H new ATOM 0 HB3 PHE A 83 79.550 -12.862 7.792 1.00 0.00 H new ATOM 0 HD1 PHE A 83 80.335 -9.611 9.309 1.00 0.00 H new ATOM 0 HD2 PHE A 83 77.181 -12.384 8.403 1.00 0.00 H new ATOM 0 HE1 PHE A 83 78.844 -8.440 10.908 1.00 0.00 H new ATOM 0 HE2 PHE A 83 75.692 -11.211 9.998 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.522 -9.240 11.253 1.00 0.00 H new ATOM 1273 N GLY A 84 83.123 -12.356 6.871 1.00 0.00 N ATOM 1274 CA GLY A 84 84.029 -13.400 6.327 1.00 0.00 C ATOM 1275 C GLY A 84 84.152 -13.208 4.817 1.00 0.00 C ATOM 1276 O GLY A 84 84.255 -14.158 4.067 1.00 0.00 O ATOM 0 H GLY A 84 83.357 -11.401 6.600 1.00 0.00 H new ATOM 0 HA2 GLY A 84 85.010 -13.331 6.797 1.00 0.00 H new ATOM 0 HA3 GLY A 84 83.638 -14.393 6.550 1.00 0.00 H new ATOM 1280 N ASN A 85 84.142 -11.982 4.362 1.00 0.00 N ATOM 1281 CA ASN A 85 84.257 -11.736 2.897 1.00 0.00 C ATOM 1282 C ASN A 85 84.673 -10.288 2.653 1.00 0.00 C ATOM 1283 O ASN A 85 83.870 -9.381 2.731 1.00 0.00 O ATOM 1284 CB ASN A 85 82.860 -11.999 2.338 1.00 0.00 C ATOM 1285 CG ASN A 85 82.654 -13.504 2.161 1.00 0.00 C ATOM 1286 OD1 ASN A 85 82.071 -14.153 3.008 1.00 0.00 O ATOM 1287 ND2 ASN A 85 83.112 -14.092 1.089 1.00 0.00 N ATOM 0 H ASN A 85 84.060 -11.145 4.940 1.00 0.00 H new ATOM 0 HA ASN A 85 85.004 -12.371 2.422 1.00 0.00 H new ATOM 0 HB2 ASN A 85 82.105 -11.595 3.013 1.00 0.00 H new ATOM 0 HB3 ASN A 85 82.738 -11.490 1.382 1.00 0.00 H new ATOM 0 HD21 ASN A 85 82.981 -15.096 0.962 1.00 0.00 H new ATOM 0 HD22 ASN A 85 83.601 -13.548 0.378 1.00 0.00 H new ATOM 1294 N GLU A 86 85.927 -10.061 2.375 1.00 0.00 N ATOM 1295 CA GLU A 86 86.394 -8.668 2.145 1.00 0.00 C ATOM 1296 C GLU A 86 85.485 -7.961 1.149 1.00 0.00 C ATOM 1297 O GLU A 86 85.694 -8.005 -0.048 1.00 0.00 O ATOM 1298 CB GLU A 86 87.811 -8.799 1.596 1.00 0.00 C ATOM 1299 CG GLU A 86 87.774 -9.486 0.229 1.00 0.00 C ATOM 1300 CD GLU A 86 88.756 -10.659 0.220 1.00 0.00 C ATOM 1301 OE1 GLU A 86 89.911 -10.437 -0.102 1.00 0.00 O ATOM 1302 OE2 GLU A 86 88.335 -11.761 0.535 1.00 0.00 O ATOM 0 H GLU A 86 86.647 -10.780 2.298 1.00 0.00 H new ATOM 0 HA GLU A 86 86.375 -8.074 3.059 1.00 0.00 H new ATOM 0 HB2 GLU A 86 88.269 -7.814 1.506 1.00 0.00 H new ATOM 0 HB3 GLU A 86 88.427 -9.375 2.287 1.00 0.00 H new ATOM 0 HG2 GLU A 86 86.766 -9.841 0.016 1.00 0.00 H new ATOM 0 HG3 GLU A 86 88.034 -8.774 -0.555 1.00 0.00 H new ATOM 1309 N ILE A 87 84.476 -7.307 1.643 1.00 0.00 N ATOM 1310 CA ILE A 87 83.540 -6.586 0.738 1.00 0.00 C ATOM 1311 C ILE A 87 84.327 -5.852 -0.345 1.00 0.00 C ATOM 1312 O ILE A 87 85.397 -5.328 -0.110 1.00 0.00 O ATOM 1313 CB ILE A 87 82.784 -5.588 1.619 1.00 0.00 C ATOM 1314 CG1 ILE A 87 83.726 -5.005 2.680 1.00 0.00 C ATOM 1315 CG2 ILE A 87 81.619 -6.300 2.305 1.00 0.00 C ATOM 1316 CD1 ILE A 87 83.594 -3.482 2.699 1.00 0.00 C ATOM 0 H ILE A 87 84.257 -7.239 2.637 1.00 0.00 H new ATOM 0 HA ILE A 87 82.854 -7.270 0.238 1.00 0.00 H new ATOM 0 HB ILE A 87 82.404 -4.777 0.998 1.00 0.00 H new ATOM 0 HG12 ILE A 87 83.483 -5.414 3.661 1.00 0.00 H new ATOM 0 HG13 ILE A 87 84.756 -5.289 2.462 1.00 0.00 H new ATOM 0 HG21 ILE A 87 81.079 -5.592 2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 87 80.944 -6.704 1.550 1.00 0.00 H new ATOM 0 HG23 ILE A 87 82.002 -7.113 2.922 1.00 0.00 H new ATOM 0 HD11 ILE A 87 84.263 -3.068 3.453 1.00 0.00 H new ATOM 0 HD12 ILE A 87 83.858 -3.082 1.720 1.00 0.00 H new ATOM 0 HD13 ILE A 87 82.566 -3.209 2.937 1.00 0.00 H new ATOM 1328 N LYS A 88 83.798 -5.816 -1.529 1.00 0.00 N ATOM 1329 CA LYS A 88 84.499 -5.124 -2.643 1.00 0.00 C ATOM 1330 C LYS A 88 83.634 -3.981 -3.175 1.00 0.00 C ATOM 1331 O LYS A 88 82.438 -3.949 -2.975 1.00 0.00 O ATOM 1332 CB LYS A 88 84.688 -6.196 -3.717 1.00 0.00 C ATOM 1333 CG LYS A 88 85.893 -7.070 -3.362 1.00 0.00 C ATOM 1334 CD LYS A 88 86.713 -7.347 -4.624 1.00 0.00 C ATOM 1335 CE LYS A 88 87.601 -6.139 -4.931 1.00 0.00 C ATOM 1336 NZ LYS A 88 88.719 -6.225 -3.950 1.00 0.00 N ATOM 0 H LYS A 88 82.904 -6.239 -1.778 1.00 0.00 H new ATOM 0 HA LYS A 88 85.448 -4.689 -2.330 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.791 -6.810 -3.794 1.00 0.00 H new ATOM 0 HB3 LYS A 88 84.839 -5.728 -4.690 1.00 0.00 H new ATOM 0 HG2 LYS A 88 86.511 -6.570 -2.616 1.00 0.00 H new ATOM 0 HG3 LYS A 88 85.557 -8.008 -2.920 1.00 0.00 H new ATOM 0 HD2 LYS A 88 87.327 -8.237 -4.484 1.00 0.00 H new ATOM 0 HD3 LYS A 88 86.049 -7.547 -5.465 1.00 0.00 H new ATOM 0 HE2 LYS A 88 87.971 -6.171 -5.956 1.00 0.00 H new ATOM 0 HE3 LYS A 88 87.050 -5.205 -4.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 88.793 -5.328 -3.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 88.535 -7.000 -3.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 89.610 -6.407 -4.454 1.00 0.00 H new ATOM 1350 N LEU A 89 84.233 -3.041 -3.847 1.00 0.00 N ATOM 1351 CA LEU A 89 83.456 -1.899 -4.390 1.00 0.00 C ATOM 1352 C LEU A 89 83.442 -1.948 -5.913 1.00 0.00 C ATOM 1353 O LEU A 89 83.993 -2.841 -6.527 1.00 0.00 O ATOM 1354 CB LEU A 89 84.205 -0.661 -3.904 1.00 0.00 C ATOM 1355 CG LEU A 89 83.826 -0.365 -2.452 1.00 0.00 C ATOM 1356 CD1 LEU A 89 85.050 -0.553 -1.555 1.00 0.00 C ATOM 1357 CD2 LEU A 89 83.329 1.079 -2.339 1.00 0.00 C ATOM 0 H LEU A 89 85.234 -3.016 -4.044 1.00 0.00 H new ATOM 0 HA LEU A 89 82.416 -1.909 -4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 89 85.280 -0.820 -3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 89 83.962 0.194 -4.535 1.00 0.00 H new ATOM 0 HG LEU A 89 83.037 -1.048 -2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 89 84.779 -0.342 -0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 89 85.405 -1.580 -1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 89 85.840 0.129 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 89 83.059 1.291 -1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 89 84.118 1.761 -2.655 1.00 0.00 H new ATOM 0 HD23 LEU A 89 82.456 1.214 -2.977 1.00 0.00 H new ATOM 1369 N GLU A 90 82.807 -0.993 -6.522 1.00 0.00 N ATOM 1370 CA GLU A 90 82.739 -0.974 -8.006 1.00 0.00 C ATOM 1371 C GLU A 90 82.187 0.375 -8.482 1.00 0.00 C ATOM 1372 O GLU A 90 81.386 0.999 -7.815 1.00 0.00 O ATOM 1373 CB GLU A 90 81.792 -2.126 -8.357 1.00 0.00 C ATOM 1374 CG GLU A 90 81.123 -1.867 -9.706 1.00 0.00 C ATOM 1375 CD GLU A 90 81.149 -3.145 -10.546 1.00 0.00 C ATOM 1376 OE1 GLU A 90 80.662 -4.155 -10.066 1.00 0.00 O ATOM 1377 OE2 GLU A 90 81.655 -3.092 -11.654 1.00 0.00 O ATOM 0 H GLU A 90 82.330 -0.221 -6.056 1.00 0.00 H new ATOM 0 HA GLU A 90 83.711 -1.094 -8.485 1.00 0.00 H new ATOM 0 HB2 GLU A 90 82.346 -3.064 -8.392 1.00 0.00 H new ATOM 0 HB3 GLU A 90 81.034 -2.232 -7.581 1.00 0.00 H new ATOM 0 HG2 GLU A 90 80.094 -1.539 -9.556 1.00 0.00 H new ATOM 0 HG3 GLU A 90 81.640 -1.064 -10.231 1.00 0.00 H new