USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=13 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 24 ASN : amide:sc= -1.54 K(o=-4.4,f=-3.1) USER MOD Set 1.2: A 85 ASN : amide:sc= -2.82! C(o=-4.4!,f=-3.1!) USER MOD Set 2.1: A 16 THR OG1 : rot -100:sc= -3.05! USER MOD Set 2.2: A 19 ASN : amide:sc= -4.48! C(o=-7.5!,f=-11!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -4.34! C(o=-4.3!,f=-20!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) 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+ -150:sc= 0.152 (180deg=-0.65) USER MOD Single : A 39 SER OG : rot 81:sc= 1.16 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -2.83! K(o=-2.8!,f=-2.1) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -160:sc= -0.61 USER MOD Single : A 57 ASN : amide:sc= -0.0271 X(o=-0.027,f=-0.013) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -4.14! USER MOD Single : A 67 SER OG : rot -85:sc= -1.79! USER MOD Single : A 73 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.206) USER MOD Single : A 78 THR OG1 : rot -107:sc= 0.771 USER MOD Single : A 81 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.338) USER MOD Single : A 88 LYS NZ :NH3+ -145:sc= 0.37 (180deg=-1.05) USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 15 70.511 10.753 -2.174 1.00 0.00 N ATOM 191 CA THR A 15 70.618 11.671 -0.992 1.00 0.00 C ATOM 192 C THR A 15 72.094 11.918 -0.654 1.00 0.00 C ATOM 193 O THR A 15 72.422 12.736 0.181 1.00 0.00 O ATOM 194 CB THR A 15 69.864 10.970 0.158 1.00 0.00 C ATOM 195 OG1 THR A 15 69.037 11.915 0.820 1.00 0.00 O ATOM 196 CG2 THR A 15 70.842 10.356 1.171 1.00 0.00 C ATOM 0 HA THR A 15 70.182 12.651 -1.184 1.00 0.00 H new ATOM 0 HB THR A 15 69.260 10.168 -0.266 1.00 0.00 H new ATOM 0 HG1 THR A 15 68.555 11.473 1.550 1.00 0.00 H new ATOM 0 HG21 THR A 15 70.281 9.869 1.969 1.00 0.00 H new ATOM 0 HG22 THR A 15 71.471 9.621 0.669 1.00 0.00 H new ATOM 0 HG23 THR A 15 71.468 11.141 1.594 1.00 0.00 H new ATOM 204 N THR A 16 72.981 11.217 -1.303 1.00 0.00 N ATOM 205 CA THR A 16 74.432 11.413 -1.024 1.00 0.00 C ATOM 206 C THR A 16 75.202 11.611 -2.331 1.00 0.00 C ATOM 207 O THR A 16 74.786 11.149 -3.375 1.00 0.00 O ATOM 208 CB THR A 16 74.883 10.130 -0.332 1.00 0.00 C ATOM 209 OG1 THR A 16 74.559 9.015 -1.151 1.00 0.00 O ATOM 210 CG2 THR A 16 74.175 10.000 1.015 1.00 0.00 C ATOM 0 H THR A 16 72.765 10.518 -2.014 1.00 0.00 H new ATOM 0 HA THR A 16 74.615 12.294 -0.409 1.00 0.00 H new ATOM 0 HB THR A 16 75.961 10.162 -0.171 1.00 0.00 H new ATOM 0 HG1 THR A 16 73.738 8.594 -0.821 1.00 0.00 H new ATOM 0 HG21 THR A 16 74.498 9.083 1.509 1.00 0.00 H new ATOM 0 HG22 THR A 16 74.424 10.857 1.641 1.00 0.00 H new ATOM 0 HG23 THR A 16 73.097 9.967 0.858 1.00 0.00 H new ATOM 218 N PRO A 17 76.302 12.302 -2.224 1.00 0.00 N ATOM 219 CA PRO A 17 77.147 12.580 -3.405 1.00 0.00 C ATOM 220 C PRO A 17 78.031 11.373 -3.736 1.00 0.00 C ATOM 221 O PRO A 17 78.500 11.225 -4.847 1.00 0.00 O ATOM 222 CB PRO A 17 77.999 13.762 -2.961 1.00 0.00 C ATOM 223 CG PRO A 17 78.053 13.676 -1.465 1.00 0.00 C ATOM 224 CD PRO A 17 76.850 12.893 -1.000 1.00 0.00 C ATOM 0 HA PRO A 17 76.566 12.785 -4.304 1.00 0.00 H new ATOM 0 HB2 PRO A 17 78.998 13.710 -3.394 1.00 0.00 H new ATOM 0 HB3 PRO A 17 77.560 14.706 -3.284 1.00 0.00 H new ATOM 0 HG2 PRO A 17 78.973 13.187 -1.144 1.00 0.00 H new ATOM 0 HG3 PRO A 17 78.052 14.673 -1.026 1.00 0.00 H new ATOM 0 HD2 PRO A 17 77.131 12.125 -0.279 1.00 0.00 H new ATOM 0 HD3 PRO A 17 76.121 13.539 -0.510 1.00 0.00 H new ATOM 232 N PHE A 18 78.275 10.513 -2.783 1.00 0.00 N ATOM 233 CA PHE A 18 79.142 9.330 -3.060 1.00 0.00 C ATOM 234 C PHE A 18 78.339 8.028 -2.975 1.00 0.00 C ATOM 235 O PHE A 18 77.952 7.589 -1.909 1.00 0.00 O ATOM 236 CB PHE A 18 80.223 9.373 -1.981 1.00 0.00 C ATOM 237 CG PHE A 18 81.169 10.512 -2.272 1.00 0.00 C ATOM 238 CD1 PHE A 18 82.188 10.351 -3.219 1.00 0.00 C ATOM 239 CD2 PHE A 18 81.024 11.731 -1.600 1.00 0.00 C ATOM 240 CE1 PHE A 18 83.061 11.410 -3.493 1.00 0.00 C ATOM 241 CE2 PHE A 18 81.898 12.790 -1.873 1.00 0.00 C ATOM 242 CZ PHE A 18 82.916 12.629 -2.820 1.00 0.00 C ATOM 0 H PHE A 18 77.914 10.577 -1.831 1.00 0.00 H new ATOM 0 HA PHE A 18 79.564 9.361 -4.065 1.00 0.00 H new ATOM 0 HB2 PHE A 18 79.768 9.504 -0.999 1.00 0.00 H new ATOM 0 HB3 PHE A 18 80.768 8.429 -1.957 1.00 0.00 H new ATOM 0 HD1 PHE A 18 82.300 9.410 -3.738 1.00 0.00 H new ATOM 0 HD2 PHE A 18 80.237 11.855 -0.870 1.00 0.00 H new ATOM 0 HE1 PHE A 18 83.847 11.287 -4.224 1.00 0.00 H new ATOM 0 HE2 PHE A 18 81.787 13.730 -1.353 1.00 0.00 H new ATOM 0 HZ PHE A 18 83.590 13.446 -3.032 1.00 0.00 H new ATOM 252 N ASN A 19 78.099 7.406 -4.096 1.00 0.00 N ATOM 253 CA ASN A 19 77.339 6.128 -4.111 1.00 0.00 C ATOM 254 C ASN A 19 78.009 5.161 -5.086 1.00 0.00 C ATOM 255 O ASN A 19 78.598 5.568 -6.067 1.00 0.00 O ATOM 256 CB ASN A 19 75.937 6.492 -4.608 1.00 0.00 C ATOM 257 CG ASN A 19 75.472 7.806 -3.973 1.00 0.00 C ATOM 258 OD1 ASN A 19 76.140 8.816 -4.071 1.00 0.00 O ATOM 259 ND2 ASN A 19 74.338 7.837 -3.326 1.00 0.00 N ATOM 0 H ASN A 19 78.402 7.734 -5.013 1.00 0.00 H new ATOM 0 HA ASN A 19 77.304 5.651 -3.132 1.00 0.00 H new ATOM 0 HB2 ASN A 19 75.942 6.587 -5.694 1.00 0.00 H new ATOM 0 HB3 ASN A 19 75.238 5.693 -4.361 1.00 0.00 H new ATOM 0 HD21 ASN A 19 74.015 8.708 -2.904 1.00 0.00 H new ATOM 0 HD22 ASN A 19 73.775 6.990 -3.242 1.00 0.00 H new ATOM 266 N LEU A 20 77.932 3.890 -4.827 1.00 0.00 N ATOM 267 CA LEU A 20 78.576 2.911 -5.747 1.00 0.00 C ATOM 268 C LEU A 20 78.044 1.506 -5.480 1.00 0.00 C ATOM 269 O LEU A 20 77.327 1.269 -4.529 1.00 0.00 O ATOM 270 CB LEU A 20 80.075 3.000 -5.441 1.00 0.00 C ATOM 271 CG LEU A 20 80.399 2.216 -4.166 1.00 0.00 C ATOM 272 CD1 LEU A 20 81.862 2.447 -3.783 1.00 0.00 C ATOM 273 CD2 LEU A 20 79.494 2.693 -3.029 1.00 0.00 C ATOM 0 H LEU A 20 77.454 3.485 -4.022 1.00 0.00 H new ATOM 0 HA LEU A 20 78.368 3.128 -6.795 1.00 0.00 H new ATOM 0 HB2 LEU A 20 80.649 2.602 -6.278 1.00 0.00 H new ATOM 0 HB3 LEU A 20 80.368 4.043 -5.320 1.00 0.00 H new ATOM 0 HG LEU A 20 80.232 1.153 -4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 20 82.093 1.889 -2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 20 82.508 2.107 -4.592 1.00 0.00 H new ATOM 0 HD13 LEU A 20 82.029 3.510 -3.608 1.00 0.00 H new ATOM 0 HD21 LEU A 20 79.725 2.135 -2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 20 79.660 3.756 -2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 20 78.451 2.529 -3.301 1.00 0.00 H new ATOM 285 N PHE A 21 78.390 0.575 -6.317 1.00 0.00 N ATOM 286 CA PHE A 21 77.908 -0.814 -6.122 1.00 0.00 C ATOM 287 C PHE A 21 78.908 -1.576 -5.251 1.00 0.00 C ATOM 288 O PHE A 21 80.052 -1.187 -5.121 1.00 0.00 O ATOM 289 CB PHE A 21 77.852 -1.395 -7.535 1.00 0.00 C ATOM 290 CG PHE A 21 76.701 -2.373 -7.686 1.00 0.00 C ATOM 291 CD1 PHE A 21 75.903 -2.734 -6.586 1.00 0.00 C ATOM 292 CD2 PHE A 21 76.434 -2.922 -8.946 1.00 0.00 C ATOM 293 CE1 PHE A 21 74.846 -3.637 -6.755 1.00 0.00 C ATOM 294 CE2 PHE A 21 75.377 -3.826 -9.111 1.00 0.00 C ATOM 295 CZ PHE A 21 74.584 -4.182 -8.017 1.00 0.00 C ATOM 0 H PHE A 21 78.988 0.717 -7.131 1.00 0.00 H new ATOM 0 HA PHE A 21 76.941 -0.874 -5.623 1.00 0.00 H new ATOM 0 HB2 PHE A 21 77.742 -0.587 -8.258 1.00 0.00 H new ATOM 0 HB3 PHE A 21 78.792 -1.899 -7.760 1.00 0.00 H new ATOM 0 HD1 PHE A 21 76.105 -2.315 -5.611 1.00 0.00 H new ATOM 0 HD2 PHE A 21 77.045 -2.648 -9.793 1.00 0.00 H new ATOM 0 HE1 PHE A 21 74.232 -3.913 -5.910 1.00 0.00 H new ATOM 0 HE2 PHE A 21 75.175 -4.248 -10.084 1.00 0.00 H new ATOM 0 HZ PHE A 21 73.768 -4.878 -8.145 1.00 0.00 H new ATOM 305 N ILE A 22 78.494 -2.652 -4.648 1.00 0.00 N ATOM 306 CA ILE A 22 79.428 -3.423 -3.785 1.00 0.00 C ATOM 307 C ILE A 22 79.081 -4.906 -3.850 1.00 0.00 C ATOM 308 O ILE A 22 78.000 -5.281 -4.253 1.00 0.00 O ATOM 309 CB ILE A 22 79.206 -2.873 -2.374 1.00 0.00 C ATOM 310 CG1 ILE A 22 79.954 -1.545 -2.224 1.00 0.00 C ATOM 311 CG2 ILE A 22 79.730 -3.871 -1.340 1.00 0.00 C ATOM 312 CD1 ILE A 22 78.989 -0.384 -2.475 1.00 0.00 C ATOM 0 H ILE A 22 77.550 -3.031 -4.715 1.00 0.00 H new ATOM 0 HA ILE A 22 80.468 -3.324 -4.096 1.00 0.00 H new ATOM 0 HB ILE A 22 78.140 -2.715 -2.212 1.00 0.00 H new ATOM 0 HG12 ILE A 22 80.381 -1.467 -1.224 1.00 0.00 H new ATOM 0 HG13 ILE A 22 80.784 -1.501 -2.929 1.00 0.00 H new ATOM 0 HG21 ILE A 22 79.569 -3.474 -0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 22 79.199 -4.817 -1.445 1.00 0.00 H new ATOM 0 HG23 ILE A 22 80.796 -4.034 -1.499 1.00 0.00 H new ATOM 0 HD11 ILE A 22 79.521 0.561 -2.368 1.00 0.00 H new ATOM 0 HD12 ILE A 22 78.583 -0.460 -3.484 1.00 0.00 H new ATOM 0 HD13 ILE A 22 78.174 -0.425 -1.752 1.00 0.00 H new ATOM 324 N GLY A 23 79.986 -5.754 -3.461 1.00 0.00 N ATOM 325 CA GLY A 23 79.691 -7.210 -3.505 1.00 0.00 C ATOM 326 C GLY A 23 80.644 -7.966 -2.583 1.00 0.00 C ATOM 327 O GLY A 23 81.234 -7.404 -1.684 1.00 0.00 O ATOM 0 H GLY A 23 80.913 -5.505 -3.116 1.00 0.00 H new ATOM 0 HA2 GLY A 23 78.660 -7.389 -3.201 1.00 0.00 H new ATOM 0 HA3 GLY A 23 79.791 -7.579 -4.526 1.00 0.00 H new ATOM 331 N ASN A 24 80.791 -9.243 -2.798 1.00 0.00 N ATOM 332 CA ASN A 24 81.703 -10.047 -1.933 1.00 0.00 C ATOM 333 C ASN A 24 81.144 -10.128 -0.509 1.00 0.00 C ATOM 334 O ASN A 24 81.806 -9.783 0.449 1.00 0.00 O ATOM 335 CB ASN A 24 83.033 -9.292 -1.945 1.00 0.00 C ATOM 336 CG ASN A 24 84.188 -10.294 -1.956 1.00 0.00 C ATOM 337 OD1 ASN A 24 84.504 -10.864 -2.982 1.00 0.00 O ATOM 338 ND2 ASN A 24 84.838 -10.535 -0.850 1.00 0.00 N ATOM 0 H ASN A 24 80.319 -9.767 -3.535 1.00 0.00 H new ATOM 0 HA ASN A 24 81.814 -11.071 -2.290 1.00 0.00 H new ATOM 0 HB2 ASN A 24 83.089 -8.647 -2.822 1.00 0.00 H new ATOM 0 HB3 ASN A 24 83.105 -8.647 -1.069 1.00 0.00 H new ATOM 0 HD21 ASN A 24 85.610 -11.201 -0.847 1.00 0.00 H new ATOM 0 HD22 ASN A 24 84.574 -10.057 0.011 1.00 0.00 H new ATOM 345 N LEU A 25 79.929 -10.581 -0.366 1.00 0.00 N ATOM 346 CA LEU A 25 79.325 -10.683 0.994 1.00 0.00 C ATOM 347 C LEU A 25 79.315 -12.145 1.457 1.00 0.00 C ATOM 348 O LEU A 25 80.302 -12.844 1.343 1.00 0.00 O ATOM 349 CB LEU A 25 77.902 -10.146 0.834 1.00 0.00 C ATOM 350 CG LEU A 25 77.957 -8.686 0.381 1.00 0.00 C ATOM 351 CD1 LEU A 25 76.852 -8.427 -0.642 1.00 0.00 C ATOM 352 CD2 LEU A 25 77.754 -7.771 1.592 1.00 0.00 C ATOM 0 H LEU A 25 79.328 -10.885 -1.132 1.00 0.00 H new ATOM 0 HA LEU A 25 79.883 -10.123 1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 25 77.356 -10.744 0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 25 77.363 -10.225 1.778 1.00 0.00 H new ATOM 0 HG LEU A 25 78.927 -8.482 -0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 25 76.891 -7.387 -0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 25 76.993 -9.080 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 25 75.882 -8.630 -0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 25 77.793 -6.730 1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 25 76.784 -7.976 2.044 1.00 0.00 H new ATOM 0 HD23 LEU A 25 78.541 -7.955 2.323 1.00 0.00 H new ATOM 364 N ASN A 26 78.216 -12.611 1.984 1.00 0.00 N ATOM 365 CA ASN A 26 78.162 -14.021 2.456 1.00 0.00 C ATOM 366 C ASN A 26 76.784 -14.624 2.167 1.00 0.00 C ATOM 367 O ASN A 26 75.803 -14.255 2.781 1.00 0.00 O ATOM 368 CB ASN A 26 78.409 -13.927 3.961 1.00 0.00 C ATOM 369 CG ASN A 26 78.388 -15.328 4.575 1.00 0.00 C ATOM 370 OD1 ASN A 26 77.674 -16.196 4.115 1.00 0.00 O ATOM 371 ND2 ASN A 26 79.148 -15.584 5.605 1.00 0.00 N ATOM 0 H ASN A 26 77.356 -12.077 2.107 1.00 0.00 H new ATOM 0 HA ASN A 26 78.891 -14.660 1.958 1.00 0.00 H new ATOM 0 HB2 ASN A 26 79.370 -13.450 4.153 1.00 0.00 H new ATOM 0 HB3 ASN A 26 77.645 -13.304 4.426 1.00 0.00 H new ATOM 0 HD21 ASN A 26 79.143 -16.514 6.024 1.00 0.00 H new ATOM 0 HD22 ASN A 26 79.747 -14.854 5.991 1.00 0.00 H new ATOM 378 N PRO A 27 76.760 -15.535 1.232 1.00 0.00 N ATOM 379 CA PRO A 27 75.492 -16.200 0.845 1.00 0.00 C ATOM 380 C PRO A 27 75.065 -17.216 1.912 1.00 0.00 C ATOM 381 O PRO A 27 74.070 -17.897 1.767 1.00 0.00 O ATOM 382 CB PRO A 27 75.843 -16.904 -0.462 1.00 0.00 C ATOM 383 CG PRO A 27 77.323 -17.119 -0.406 1.00 0.00 C ATOM 384 CD PRO A 27 77.902 -16.021 0.450 1.00 0.00 C ATOM 0 HA PRO A 27 74.660 -15.503 0.742 1.00 0.00 H new ATOM 0 HB2 PRO A 27 75.311 -17.851 -0.555 1.00 0.00 H new ATOM 0 HB3 PRO A 27 75.566 -16.297 -1.323 1.00 0.00 H new ATOM 0 HG2 PRO A 27 77.554 -18.097 0.016 1.00 0.00 H new ATOM 0 HG3 PRO A 27 77.753 -17.094 -1.407 1.00 0.00 H new ATOM 0 HD2 PRO A 27 78.696 -16.396 1.096 1.00 0.00 H new ATOM 0 HD3 PRO A 27 78.334 -15.227 -0.159 1.00 0.00 H new ATOM 392 N ASN A 28 75.801 -17.316 2.985 1.00 0.00 N ATOM 393 CA ASN A 28 75.428 -18.278 4.060 1.00 0.00 C ATOM 394 C ASN A 28 75.036 -17.501 5.314 1.00 0.00 C ATOM 395 O ASN A 28 75.015 -18.026 6.409 1.00 0.00 O ATOM 396 CB ASN A 28 76.688 -19.108 4.307 1.00 0.00 C ATOM 397 CG ASN A 28 76.812 -20.184 3.227 1.00 0.00 C ATOM 398 OD1 ASN A 28 76.279 -21.267 3.367 1.00 0.00 O ATOM 399 ND2 ASN A 28 77.500 -19.932 2.147 1.00 0.00 N ATOM 0 H ASN A 28 76.645 -16.772 3.164 1.00 0.00 H new ATOM 0 HA ASN A 28 74.583 -18.911 3.789 1.00 0.00 H new ATOM 0 HB2 ASN A 28 77.568 -18.464 4.296 1.00 0.00 H new ATOM 0 HB3 ASN A 28 76.644 -19.571 5.293 1.00 0.00 H new ATOM 0 HD21 ASN A 28 77.590 -20.644 1.422 1.00 0.00 H new ATOM 0 HD22 ASN A 28 77.948 -19.023 2.028 1.00 0.00 H new ATOM 406 N LYS A 29 74.733 -16.245 5.151 1.00 0.00 N ATOM 407 CA LYS A 29 74.346 -15.403 6.312 1.00 0.00 C ATOM 408 C LYS A 29 73.176 -14.500 5.928 1.00 0.00 C ATOM 409 O LYS A 29 72.455 -14.770 4.987 1.00 0.00 O ATOM 410 CB LYS A 29 75.591 -14.567 6.607 1.00 0.00 C ATOM 411 CG LYS A 29 75.798 -14.457 8.116 1.00 0.00 C ATOM 412 CD LYS A 29 75.803 -15.853 8.740 1.00 0.00 C ATOM 413 CE LYS A 29 77.044 -16.016 9.620 1.00 0.00 C ATOM 414 NZ LYS A 29 76.979 -17.418 10.121 1.00 0.00 N ATOM 0 H LYS A 29 74.737 -15.762 4.253 1.00 0.00 H new ATOM 0 HA LYS A 29 74.029 -15.990 7.174 1.00 0.00 H new ATOM 0 HB2 LYS A 29 76.465 -15.025 6.144 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.484 -13.573 6.173 1.00 0.00 H new ATOM 0 HG2 LYS A 29 76.740 -13.951 8.327 1.00 0.00 H new ATOM 0 HG3 LYS A 29 75.005 -13.854 8.558 1.00 0.00 H new ATOM 0 HD2 LYS A 29 74.901 -16.000 9.334 1.00 0.00 H new ATOM 0 HD3 LYS A 29 75.797 -16.612 7.958 1.00 0.00 H new ATOM 0 HE2 LYS A 29 77.957 -15.842 9.051 1.00 0.00 H new ATOM 0 HE3 LYS A 29 77.041 -15.302 10.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 77.798 -17.606 10.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 76.103 -17.552 10.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 76.991 -18.075 9.315 1.00 0.00 H new ATOM 428 N SER A 30 72.986 -13.426 6.636 1.00 0.00 N ATOM 429 CA SER A 30 71.869 -12.503 6.298 1.00 0.00 C ATOM 430 C SER A 30 72.425 -11.231 5.668 1.00 0.00 C ATOM 431 O SER A 30 73.463 -10.734 6.062 1.00 0.00 O ATOM 432 CB SER A 30 71.198 -12.173 7.624 1.00 0.00 C ATOM 433 OG SER A 30 71.315 -13.284 8.504 1.00 0.00 O ATOM 0 H SER A 30 73.555 -13.146 7.435 1.00 0.00 H new ATOM 0 HA SER A 30 71.171 -12.949 5.589 1.00 0.00 H new ATOM 0 HB2 SER A 30 71.661 -11.293 8.069 1.00 0.00 H new ATOM 0 HB3 SER A 30 70.147 -11.933 7.462 1.00 0.00 H new ATOM 0 HG SER A 30 70.885 -13.071 9.358 1.00 0.00 H new ATOM 439 N VAL A 31 71.746 -10.690 4.699 1.00 0.00 N ATOM 440 CA VAL A 31 72.255 -9.448 4.069 1.00 0.00 C ATOM 441 C VAL A 31 72.141 -8.292 5.062 1.00 0.00 C ATOM 442 O VAL A 31 72.955 -7.390 5.077 1.00 0.00 O ATOM 443 CB VAL A 31 71.375 -9.207 2.843 1.00 0.00 C ATOM 444 CG1 VAL A 31 72.104 -8.271 1.880 1.00 0.00 C ATOM 445 CG2 VAL A 31 71.096 -10.538 2.136 1.00 0.00 C ATOM 0 H VAL A 31 70.870 -11.050 4.320 1.00 0.00 H new ATOM 0 HA VAL A 31 73.303 -9.529 3.782 1.00 0.00 H new ATOM 0 HB VAL A 31 70.432 -8.759 3.156 1.00 0.00 H new ATOM 0 HG11 VAL A 31 71.482 -8.095 1.003 1.00 0.00 H new ATOM 0 HG12 VAL A 31 72.306 -7.323 2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 31 73.045 -8.727 1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 31 70.468 -10.361 1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 31 72.038 -10.987 1.821 1.00 0.00 H new ATOM 0 HG23 VAL A 31 70.583 -11.213 2.821 1.00 0.00 H new ATOM 455 N ALA A 32 71.148 -8.324 5.909 1.00 0.00 N ATOM 456 CA ALA A 32 71.000 -7.239 6.916 1.00 0.00 C ATOM 457 C ALA A 32 72.217 -7.249 7.841 1.00 0.00 C ATOM 458 O ALA A 32 72.609 -6.235 8.385 1.00 0.00 O ATOM 459 CB ALA A 32 69.728 -7.583 7.691 1.00 0.00 C ATOM 0 H ALA A 32 70.436 -9.053 5.946 1.00 0.00 H new ATOM 0 HA ALA A 32 70.934 -6.248 6.467 1.00 0.00 H new ATOM 0 HB1 ALA A 32 69.551 -6.826 8.455 1.00 0.00 H new ATOM 0 HB2 ALA A 32 68.881 -7.612 7.006 1.00 0.00 H new ATOM 0 HB3 ALA A 32 69.844 -8.557 8.166 1.00 0.00 H new ATOM 465 N GLU A 33 72.823 -8.393 8.010 1.00 0.00 N ATOM 466 CA GLU A 33 74.025 -8.483 8.886 1.00 0.00 C ATOM 467 C GLU A 33 75.244 -7.936 8.140 1.00 0.00 C ATOM 468 O GLU A 33 76.043 -7.204 8.689 1.00 0.00 O ATOM 469 CB GLU A 33 74.188 -9.977 9.181 1.00 0.00 C ATOM 470 CG GLU A 33 72.925 -10.504 9.864 1.00 0.00 C ATOM 471 CD GLU A 33 72.979 -10.177 11.357 1.00 0.00 C ATOM 472 OE1 GLU A 33 73.685 -10.871 12.070 1.00 0.00 O ATOM 473 OE2 GLU A 33 72.314 -9.238 11.763 1.00 0.00 O ATOM 0 H GLU A 33 72.536 -9.271 7.578 1.00 0.00 H new ATOM 0 HA GLU A 33 73.925 -7.903 9.804 1.00 0.00 H new ATOM 0 HB2 GLU A 33 74.368 -10.524 8.255 1.00 0.00 H new ATOM 0 HB3 GLU A 33 75.055 -10.139 9.821 1.00 0.00 H new ATOM 0 HG2 GLU A 33 72.040 -10.054 9.414 1.00 0.00 H new ATOM 0 HG3 GLU A 33 72.843 -11.581 9.719 1.00 0.00 H new ATOM 480 N LEU A 34 75.382 -8.270 6.885 1.00 0.00 N ATOM 481 CA LEU A 34 76.527 -7.758 6.098 1.00 0.00 C ATOM 482 C LEU A 34 76.447 -6.236 6.033 1.00 0.00 C ATOM 483 O LEU A 34 77.443 -5.542 6.096 1.00 0.00 O ATOM 484 CB LEU A 34 76.336 -8.363 4.710 1.00 0.00 C ATOM 485 CG LEU A 34 76.593 -9.869 4.764 1.00 0.00 C ATOM 486 CD1 LEU A 34 75.571 -10.591 3.882 1.00 0.00 C ATOM 487 CD2 LEU A 34 78.005 -10.162 4.251 1.00 0.00 C ATOM 0 H LEU A 34 74.744 -8.879 6.373 1.00 0.00 H new ATOM 0 HA LEU A 34 77.495 -8.018 6.526 1.00 0.00 H new ATOM 0 HB2 LEU A 34 75.324 -8.170 4.355 1.00 0.00 H new ATOM 0 HB3 LEU A 34 77.018 -7.893 4.001 1.00 0.00 H new ATOM 0 HG LEU A 34 76.499 -10.219 5.792 1.00 0.00 H new ATOM 0 HD11 LEU A 34 75.753 -11.665 3.919 1.00 0.00 H new ATOM 0 HD12 LEU A 34 74.565 -10.380 4.244 1.00 0.00 H new ATOM 0 HD13 LEU A 34 75.667 -10.242 2.854 1.00 0.00 H new ATOM 0 HD21 LEU A 34 78.190 -11.235 4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 34 78.098 -9.814 3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 34 78.734 -9.646 4.876 1.00 0.00 H new ATOM 499 N LYS A 35 75.258 -5.717 5.913 1.00 0.00 N ATOM 500 CA LYS A 35 75.092 -4.242 5.850 1.00 0.00 C ATOM 501 C LYS A 35 75.567 -3.616 7.160 1.00 0.00 C ATOM 502 O LYS A 35 76.385 -2.717 7.170 1.00 0.00 O ATOM 503 CB LYS A 35 73.593 -4.016 5.652 1.00 0.00 C ATOM 504 CG LYS A 35 73.315 -3.692 4.182 1.00 0.00 C ATOM 505 CD LYS A 35 72.901 -4.967 3.446 1.00 0.00 C ATOM 506 CE LYS A 35 74.150 -5.692 2.938 1.00 0.00 C ATOM 507 NZ LYS A 35 74.583 -4.919 1.741 1.00 0.00 N ATOM 0 H LYS A 35 74.392 -6.254 5.856 1.00 0.00 H new ATOM 0 HA LYS A 35 75.673 -3.788 5.047 1.00 0.00 H new ATOM 0 HB2 LYS A 35 73.038 -4.905 5.951 1.00 0.00 H new ATOM 0 HB3 LYS A 35 73.251 -3.199 6.287 1.00 0.00 H new ATOM 0 HG2 LYS A 35 72.526 -2.944 4.107 1.00 0.00 H new ATOM 0 HG3 LYS A 35 74.204 -3.265 3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 35 72.336 -5.618 4.113 1.00 0.00 H new ATOM 0 HD3 LYS A 35 72.245 -4.721 2.611 1.00 0.00 H new ATOM 0 HE2 LYS A 35 74.931 -5.713 3.698 1.00 0.00 H new ATOM 0 HE3 LYS A 35 73.928 -6.728 2.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 75.054 -5.556 1.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 73.752 -4.489 1.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 75.245 -4.171 2.031 1.00 0.00 H new ATOM 521 N VAL A 36 75.074 -4.097 8.268 1.00 0.00 N ATOM 522 CA VAL A 36 75.516 -3.540 9.577 1.00 0.00 C ATOM 523 C VAL A 36 77.003 -3.806 9.759 1.00 0.00 C ATOM 524 O VAL A 36 77.693 -3.068 10.421 1.00 0.00 O ATOM 525 CB VAL A 36 74.716 -4.297 10.627 1.00 0.00 C ATOM 526 CG1 VAL A 36 75.049 -3.752 12.016 1.00 0.00 C ATOM 527 CG2 VAL A 36 73.217 -4.127 10.359 1.00 0.00 C ATOM 0 H VAL A 36 74.387 -4.849 8.324 1.00 0.00 H new ATOM 0 HA VAL A 36 75.357 -2.464 9.648 1.00 0.00 H new ATOM 0 HB VAL A 36 74.973 -5.355 10.579 1.00 0.00 H new ATOM 0 HG11 VAL A 36 74.475 -4.295 12.767 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.114 -3.879 12.211 1.00 0.00 H new ATOM 0 HG13 VAL A 36 74.796 -2.693 12.062 1.00 0.00 H new ATOM 0 HG21 VAL A 36 72.649 -4.671 11.113 1.00 0.00 H new ATOM 0 HG22 VAL A 36 72.957 -3.069 10.402 1.00 0.00 H new ATOM 0 HG23 VAL A 36 72.977 -4.520 9.371 1.00 0.00 H new ATOM 537 N ALA A 37 77.507 -4.852 9.167 1.00 0.00 N ATOM 538 CA ALA A 37 78.957 -5.140 9.305 1.00 0.00 C ATOM 539 C ALA A 37 79.741 -4.011 8.648 1.00 0.00 C ATOM 540 O ALA A 37 80.799 -3.629 9.100 1.00 0.00 O ATOM 541 CB ALA A 37 79.182 -6.463 8.575 1.00 0.00 C ATOM 0 H ALA A 37 76.980 -5.515 8.598 1.00 0.00 H new ATOM 0 HA ALA A 37 79.283 -5.211 10.343 1.00 0.00 H new ATOM 0 HB1 ALA A 37 80.235 -6.738 8.636 1.00 0.00 H new ATOM 0 HB2 ALA A 37 78.576 -7.242 9.038 1.00 0.00 H new ATOM 0 HB3 ALA A 37 78.896 -6.355 7.529 1.00 0.00 H new ATOM 547 N ILE A 38 79.211 -3.460 7.594 1.00 0.00 N ATOM 548 CA ILE A 38 79.905 -2.335 6.918 1.00 0.00 C ATOM 549 C ILE A 38 79.554 -1.030 7.634 1.00 0.00 C ATOM 550 O ILE A 38 80.305 -0.075 7.613 1.00 0.00 O ATOM 551 CB ILE A 38 79.365 -2.333 5.486 1.00 0.00 C ATOM 552 CG1 ILE A 38 80.040 -3.451 4.688 1.00 0.00 C ATOM 553 CG2 ILE A 38 79.663 -0.986 4.827 1.00 0.00 C ATOM 554 CD1 ILE A 38 79.036 -4.049 3.700 1.00 0.00 C ATOM 0 H ILE A 38 78.326 -3.741 7.172 1.00 0.00 H new ATOM 0 HA ILE A 38 80.990 -2.435 6.931 1.00 0.00 H new ATOM 0 HB ILE A 38 78.287 -2.496 5.504 1.00 0.00 H new ATOM 0 HG12 ILE A 38 80.905 -3.059 4.152 1.00 0.00 H new ATOM 0 HG13 ILE A 38 80.407 -4.224 5.363 1.00 0.00 H new ATOM 0 HG21 ILE A 38 79.278 -0.987 3.807 1.00 0.00 H new ATOM 0 HG22 ILE A 38 79.184 -0.189 5.395 1.00 0.00 H new ATOM 0 HG23 ILE A 38 80.740 -0.821 4.808 1.00 0.00 H new ATOM 0 HD11 ILE A 38 79.516 -4.845 3.131 1.00 0.00 H new ATOM 0 HD12 ILE A 38 78.185 -4.455 4.247 1.00 0.00 H new ATOM 0 HD13 ILE A 38 78.691 -3.273 3.017 1.00 0.00 H new ATOM 566 N SER A 39 78.420 -0.991 8.287 1.00 0.00 N ATOM 567 CA SER A 39 78.036 0.250 9.017 1.00 0.00 C ATOM 568 C SER A 39 78.768 0.290 10.356 1.00 0.00 C ATOM 569 O SER A 39 79.071 1.343 10.887 1.00 0.00 O ATOM 570 CB SER A 39 76.526 0.136 9.230 1.00 0.00 C ATOM 571 OG SER A 39 75.902 -0.191 7.995 1.00 0.00 O ATOM 0 H SER A 39 77.751 -1.758 8.345 1.00 0.00 H new ATOM 0 HA SER A 39 78.294 1.159 8.474 1.00 0.00 H new ATOM 0 HB2 SER A 39 76.309 -0.630 9.975 1.00 0.00 H new ATOM 0 HB3 SER A 39 76.129 1.076 9.614 1.00 0.00 H new ATOM 0 HG SER A 39 75.983 -1.154 7.833 1.00 0.00 H new ATOM 577 N GLU A 40 79.071 -0.857 10.895 1.00 0.00 N ATOM 578 CA GLU A 40 79.795 -0.908 12.190 1.00 0.00 C ATOM 579 C GLU A 40 81.287 -0.734 11.938 1.00 0.00 C ATOM 580 O GLU A 40 81.989 -0.089 12.691 1.00 0.00 O ATOM 581 CB GLU A 40 79.495 -2.293 12.741 1.00 0.00 C ATOM 582 CG GLU A 40 79.193 -2.198 14.236 1.00 0.00 C ATOM 583 CD GLU A 40 80.413 -2.659 15.036 1.00 0.00 C ATOM 584 OE1 GLU A 40 80.952 -3.703 14.707 1.00 0.00 O ATOM 585 OE2 GLU A 40 80.789 -1.960 15.962 1.00 0.00 O ATOM 0 H GLU A 40 78.846 -1.766 10.490 1.00 0.00 H new ATOM 0 HA GLU A 40 79.492 -0.124 12.884 1.00 0.00 H new ATOM 0 HB2 GLU A 40 78.645 -2.728 12.215 1.00 0.00 H new ATOM 0 HB3 GLU A 40 80.345 -2.954 12.573 1.00 0.00 H new ATOM 0 HG2 GLU A 40 78.938 -1.172 14.501 1.00 0.00 H new ATOM 0 HG3 GLU A 40 78.329 -2.815 14.483 1.00 0.00 H new ATOM 592 N LEU A 41 81.771 -1.294 10.868 1.00 0.00 N ATOM 593 CA LEU A 41 83.214 -1.154 10.546 1.00 0.00 C ATOM 594 C LEU A 41 83.497 0.285 10.130 1.00 0.00 C ATOM 595 O LEU A 41 84.570 0.807 10.350 1.00 0.00 O ATOM 596 CB LEU A 41 83.463 -2.114 9.382 1.00 0.00 C ATOM 597 CG LEU A 41 84.840 -2.760 9.539 1.00 0.00 C ATOM 598 CD1 LEU A 41 84.711 -4.277 9.396 1.00 0.00 C ATOM 599 CD2 LEU A 41 85.780 -2.223 8.458 1.00 0.00 C ATOM 0 H LEU A 41 81.228 -1.843 10.202 1.00 0.00 H new ATOM 0 HA LEU A 41 83.860 -1.384 11.393 1.00 0.00 H new ATOM 0 HB2 LEU A 41 82.690 -2.882 9.358 1.00 0.00 H new ATOM 0 HB3 LEU A 41 83.407 -1.577 8.435 1.00 0.00 H new ATOM 0 HG LEU A 41 85.244 -2.522 10.523 1.00 0.00 H new ATOM 0 HD11 LEU A 41 85.692 -4.738 9.508 1.00 0.00 H new ATOM 0 HD12 LEU A 41 84.041 -4.659 10.166 1.00 0.00 H new ATOM 0 HD13 LEU A 41 84.308 -4.517 8.412 1.00 0.00 H new ATOM 0 HD21 LEU A 41 86.762 -2.683 8.569 1.00 0.00 H new ATOM 0 HD22 LEU A 41 85.377 -2.461 7.474 1.00 0.00 H new ATOM 0 HD23 LEU A 41 85.872 -1.142 8.560 1.00 0.00 H new ATOM 611 N PHE A 42 82.532 0.937 9.542 1.00 0.00 N ATOM 612 CA PHE A 42 82.733 2.344 9.126 1.00 0.00 C ATOM 613 C PHE A 42 82.276 3.274 10.248 1.00 0.00 C ATOM 614 O PHE A 42 82.574 4.447 10.259 1.00 0.00 O ATOM 615 CB PHE A 42 81.843 2.513 7.904 1.00 0.00 C ATOM 616 CG PHE A 42 82.574 2.050 6.667 1.00 0.00 C ATOM 617 CD1 PHE A 42 83.387 0.911 6.721 1.00 0.00 C ATOM 618 CD2 PHE A 42 82.438 2.757 5.467 1.00 0.00 C ATOM 619 CE1 PHE A 42 84.063 0.480 5.573 1.00 0.00 C ATOM 620 CE2 PHE A 42 83.113 2.325 4.320 1.00 0.00 C ATOM 621 CZ PHE A 42 83.926 1.187 4.373 1.00 0.00 C ATOM 0 H PHE A 42 81.612 0.550 9.333 1.00 0.00 H new ATOM 0 HA PHE A 42 83.775 2.579 8.909 1.00 0.00 H new ATOM 0 HB2 PHE A 42 80.925 1.939 8.030 1.00 0.00 H new ATOM 0 HB3 PHE A 42 81.554 3.558 7.796 1.00 0.00 H new ATOM 0 HD1 PHE A 42 83.492 0.366 7.647 1.00 0.00 H new ATOM 0 HD2 PHE A 42 81.812 3.636 5.426 1.00 0.00 H new ATOM 0 HE1 PHE A 42 84.690 -0.398 5.614 1.00 0.00 H new ATOM 0 HE2 PHE A 42 83.007 2.870 3.394 1.00 0.00 H new ATOM 0 HZ PHE A 42 84.448 0.854 3.488 1.00 0.00 H new ATOM 631 N ALA A 43 81.550 2.756 11.195 1.00 0.00 N ATOM 632 CA ALA A 43 81.081 3.613 12.318 1.00 0.00 C ATOM 633 C ALA A 43 82.084 3.549 13.468 1.00 0.00 C ATOM 634 O ALA A 43 82.238 4.484 14.229 1.00 0.00 O ATOM 635 CB ALA A 43 79.744 3.015 12.739 1.00 0.00 C ATOM 0 H ALA A 43 81.261 1.779 11.241 1.00 0.00 H new ATOM 0 HA ALA A 43 80.983 4.661 12.033 1.00 0.00 H new ATOM 0 HB1 ALA A 43 79.331 3.593 13.566 1.00 0.00 H new ATOM 0 HB2 ALA A 43 79.052 3.042 11.897 1.00 0.00 H new ATOM 0 HB3 ALA A 43 79.891 1.982 13.056 1.00 0.00 H new ATOM 641 N LYS A 44 82.780 2.454 13.588 1.00 0.00 N ATOM 642 CA LYS A 44 83.788 2.324 14.675 1.00 0.00 C ATOM 643 C LYS A 44 85.145 2.792 14.156 1.00 0.00 C ATOM 644 O LYS A 44 86.024 3.154 14.912 1.00 0.00 O ATOM 645 CB LYS A 44 83.823 0.834 15.018 1.00 0.00 C ATOM 646 CG LYS A 44 83.016 0.584 16.292 1.00 0.00 C ATOM 647 CD LYS A 44 83.518 -0.690 16.974 1.00 0.00 C ATOM 648 CE LYS A 44 83.365 -1.876 16.019 1.00 0.00 C ATOM 649 NZ LYS A 44 84.752 -2.368 15.793 1.00 0.00 N ATOM 0 H LYS A 44 82.694 1.641 12.978 1.00 0.00 H new ATOM 0 HA LYS A 44 83.545 2.925 15.551 1.00 0.00 H new ATOM 0 HB2 LYS A 44 83.412 0.251 14.194 1.00 0.00 H new ATOM 0 HB3 LYS A 44 84.853 0.506 15.157 1.00 0.00 H new ATOM 0 HG2 LYS A 44 83.112 1.433 16.968 1.00 0.00 H new ATOM 0 HG3 LYS A 44 81.957 0.487 16.051 1.00 0.00 H new ATOM 0 HD2 LYS A 44 84.563 -0.574 17.261 1.00 0.00 H new ATOM 0 HD3 LYS A 44 82.954 -0.871 17.889 1.00 0.00 H new ATOM 0 HE2 LYS A 44 82.736 -2.653 16.452 1.00 0.00 H new ATOM 0 HE3 LYS A 44 82.896 -1.572 15.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 84.730 -3.183 15.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 85.326 -1.609 15.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 85.170 -2.657 16.700 1.00 0.00 H new ATOM 663 N ASN A 45 85.312 2.796 12.865 1.00 0.00 N ATOM 664 CA ASN A 45 86.595 3.248 12.276 1.00 0.00 C ATOM 665 C ASN A 45 86.636 4.773 12.261 1.00 0.00 C ATOM 666 O ASN A 45 87.489 5.380 12.874 1.00 0.00 O ATOM 667 CB ASN A 45 86.572 2.706 10.849 1.00 0.00 C ATOM 668 CG ASN A 45 87.219 1.323 10.815 1.00 0.00 C ATOM 669 OD1 ASN A 45 88.236 1.129 10.179 1.00 0.00 O ATOM 670 ND2 ASN A 45 86.668 0.346 11.480 1.00 0.00 N ATOM 0 H ASN A 45 84.607 2.502 12.189 1.00 0.00 H new ATOM 0 HA ASN A 45 87.465 2.902 12.834 1.00 0.00 H new ATOM 0 HB2 ASN A 45 85.545 2.647 10.488 1.00 0.00 H new ATOM 0 HB3 ASN A 45 87.105 3.384 10.183 1.00 0.00 H new ATOM 0 HD21 ASN A 45 87.091 -0.582 11.467 1.00 0.00 H new ATOM 0 HD22 ASN A 45 85.814 0.510 12.014 1.00 0.00 H new ATOM 677 N ASP A 46 85.687 5.371 11.572 1.00 0.00 N ATOM 678 CA ASP A 46 85.575 6.862 11.467 1.00 0.00 C ATOM 679 C ASP A 46 85.006 7.244 10.099 1.00 0.00 C ATOM 680 O ASP A 46 85.324 8.281 9.553 1.00 0.00 O ATOM 681 CB ASP A 46 86.981 7.454 11.613 1.00 0.00 C ATOM 682 CG ASP A 46 87.202 7.905 13.059 1.00 0.00 C ATOM 683 OD1 ASP A 46 86.303 8.520 13.610 1.00 0.00 O ATOM 684 OD2 ASP A 46 88.264 7.627 13.590 1.00 0.00 O ATOM 0 H ASP A 46 84.962 4.866 11.062 1.00 0.00 H new ATOM 0 HA ASP A 46 84.913 7.245 12.244 1.00 0.00 H new ATOM 0 HB2 ASP A 46 87.729 6.712 11.335 1.00 0.00 H new ATOM 0 HB3 ASP A 46 87.103 8.299 10.935 1.00 0.00 H new ATOM 689 N LEU A 47 84.170 6.417 9.541 1.00 0.00 N ATOM 690 CA LEU A 47 83.588 6.734 8.215 1.00 0.00 C ATOM 691 C LEU A 47 82.193 7.333 8.395 1.00 0.00 C ATOM 692 O LEU A 47 81.861 7.857 9.440 1.00 0.00 O ATOM 693 CB LEU A 47 83.520 5.384 7.493 1.00 0.00 C ATOM 694 CG LEU A 47 84.776 5.200 6.643 1.00 0.00 C ATOM 695 CD1 LEU A 47 84.759 6.195 5.482 1.00 0.00 C ATOM 696 CD2 LEU A 47 86.015 5.445 7.507 1.00 0.00 C ATOM 0 H LEU A 47 83.865 5.533 9.949 1.00 0.00 H new ATOM 0 HA LEU A 47 84.173 7.463 7.654 1.00 0.00 H new ATOM 0 HB2 LEU A 47 83.437 4.575 8.219 1.00 0.00 H new ATOM 0 HB3 LEU A 47 82.631 5.340 6.863 1.00 0.00 H new ATOM 0 HG LEU A 47 84.802 4.184 6.248 1.00 0.00 H new ATOM 0 HD11 LEU A 47 85.656 6.063 4.876 1.00 0.00 H new ATOM 0 HD12 LEU A 47 83.876 6.021 4.867 1.00 0.00 H new ATOM 0 HD13 LEU A 47 84.733 7.212 5.874 1.00 0.00 H new ATOM 0 HD21 LEU A 47 86.912 5.314 6.902 1.00 0.00 H new ATOM 0 HD22 LEU A 47 85.988 6.461 7.902 1.00 0.00 H new ATOM 0 HD23 LEU A 47 86.028 4.735 8.334 1.00 0.00 H new ATOM 708 N ALA A 48 81.376 7.260 7.388 1.00 0.00 N ATOM 709 CA ALA A 48 80.002 7.824 7.499 1.00 0.00 C ATOM 710 C ALA A 48 79.074 7.152 6.486 1.00 0.00 C ATOM 711 O ALA A 48 78.555 7.783 5.587 1.00 0.00 O ATOM 712 CB ALA A 48 80.155 9.312 7.188 1.00 0.00 C ATOM 0 H ALA A 48 81.598 6.833 6.489 1.00 0.00 H new ATOM 0 HA ALA A 48 79.566 7.661 8.485 1.00 0.00 H new ATOM 0 HB1 ALA A 48 79.182 9.799 7.250 1.00 0.00 H new ATOM 0 HB2 ALA A 48 80.834 9.766 7.909 1.00 0.00 H new ATOM 0 HB3 ALA A 48 80.558 9.434 6.183 1.00 0.00 H new ATOM 718 N VAL A 49 78.861 5.875 6.632 1.00 0.00 N ATOM 719 CA VAL A 49 77.975 5.153 5.699 1.00 0.00 C ATOM 720 C VAL A 49 76.588 5.782 5.714 1.00 0.00 C ATOM 721 O VAL A 49 75.906 5.811 6.720 1.00 0.00 O ATOM 722 CB VAL A 49 77.934 3.727 6.235 1.00 0.00 C ATOM 723 CG1 VAL A 49 79.280 3.045 5.980 1.00 0.00 C ATOM 724 CG2 VAL A 49 77.657 3.755 7.741 1.00 0.00 C ATOM 0 H VAL A 49 79.271 5.300 7.368 1.00 0.00 H new ATOM 0 HA VAL A 49 78.325 5.188 4.667 1.00 0.00 H new ATOM 0 HB VAL A 49 77.144 3.173 5.728 1.00 0.00 H new ATOM 0 HG11 VAL A 49 79.250 2.025 6.364 1.00 0.00 H new ATOM 0 HG12 VAL A 49 79.480 3.024 4.909 1.00 0.00 H new ATOM 0 HG13 VAL A 49 80.070 3.600 6.486 1.00 0.00 H new ATOM 0 HG21 VAL A 49 77.628 2.735 8.125 1.00 0.00 H new ATOM 0 HG22 VAL A 49 78.448 4.310 8.246 1.00 0.00 H new ATOM 0 HG23 VAL A 49 76.698 4.240 7.926 1.00 0.00 H new ATOM 734 N VAL A 50 76.178 6.294 4.599 1.00 0.00 N ATOM 735 CA VAL A 50 74.838 6.944 4.513 1.00 0.00 C ATOM 736 C VAL A 50 73.778 5.917 4.113 1.00 0.00 C ATOM 737 O VAL A 50 72.700 5.875 4.674 1.00 0.00 O ATOM 738 CB VAL A 50 74.973 8.024 3.431 1.00 0.00 C ATOM 739 CG1 VAL A 50 73.915 9.104 3.657 1.00 0.00 C ATOM 740 CG2 VAL A 50 76.360 8.668 3.503 1.00 0.00 C ATOM 0 H VAL A 50 76.713 6.294 3.731 1.00 0.00 H new ATOM 0 HA VAL A 50 74.530 7.368 5.469 1.00 0.00 H new ATOM 0 HB VAL A 50 74.836 7.564 2.453 1.00 0.00 H new ATOM 0 HG11 VAL A 50 74.009 9.872 2.889 1.00 0.00 H new ATOM 0 HG12 VAL A 50 72.922 8.658 3.603 1.00 0.00 H new ATOM 0 HG13 VAL A 50 74.058 9.554 4.640 1.00 0.00 H new ATOM 0 HG21 VAL A 50 76.446 9.433 2.731 1.00 0.00 H new ATOM 0 HG22 VAL A 50 76.499 9.124 4.483 1.00 0.00 H new ATOM 0 HG23 VAL A 50 77.123 7.906 3.346 1.00 0.00 H new ATOM 750 N ASP A 51 74.068 5.087 3.147 1.00 0.00 N ATOM 751 CA ASP A 51 73.062 4.070 2.724 1.00 0.00 C ATOM 752 C ASP A 51 73.740 2.734 2.402 1.00 0.00 C ATOM 753 O ASP A 51 74.891 2.684 2.020 1.00 0.00 O ATOM 754 CB ASP A 51 72.414 4.656 1.469 1.00 0.00 C ATOM 755 CG ASP A 51 71.377 3.671 0.922 1.00 0.00 C ATOM 756 OD1 ASP A 51 70.897 2.857 1.694 1.00 0.00 O ATOM 757 OD2 ASP A 51 71.082 3.748 -0.259 1.00 0.00 O ATOM 0 H ASP A 51 74.951 5.069 2.636 1.00 0.00 H new ATOM 0 HA ASP A 51 72.334 3.867 3.509 1.00 0.00 H new ATOM 0 HB2 ASP A 51 71.938 5.608 1.703 1.00 0.00 H new ATOM 0 HB3 ASP A 51 73.174 4.857 0.714 1.00 0.00 H new ATOM 762 N VAL A 52 73.027 1.653 2.552 1.00 0.00 N ATOM 763 CA VAL A 52 73.611 0.312 2.252 1.00 0.00 C ATOM 764 C VAL A 52 72.494 -0.649 1.838 1.00 0.00 C ATOM 765 O VAL A 52 71.722 -1.105 2.659 1.00 0.00 O ATOM 766 CB VAL A 52 74.267 -0.155 3.555 1.00 0.00 C ATOM 767 CG1 VAL A 52 75.273 -1.264 3.248 1.00 0.00 C ATOM 768 CG2 VAL A 52 74.995 1.017 4.220 1.00 0.00 C ATOM 0 H VAL A 52 72.058 1.639 2.871 1.00 0.00 H new ATOM 0 HA VAL A 52 74.334 0.348 1.437 1.00 0.00 H new ATOM 0 HB VAL A 52 73.497 -0.531 4.229 1.00 0.00 H new ATOM 0 HG11 VAL A 52 75.741 -1.598 4.174 1.00 0.00 H new ATOM 0 HG12 VAL A 52 74.758 -2.103 2.779 1.00 0.00 H new ATOM 0 HG13 VAL A 52 76.038 -0.884 2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 52 75.459 0.678 5.146 1.00 0.00 H new ATOM 0 HG22 VAL A 52 75.763 1.397 3.547 1.00 0.00 H new ATOM 0 HG23 VAL A 52 74.281 1.810 4.441 1.00 0.00 H new ATOM 778 N ARG A 53 72.393 -0.954 0.573 1.00 0.00 N ATOM 779 CA ARG A 53 71.316 -1.878 0.115 1.00 0.00 C ATOM 780 C ARG A 53 71.908 -3.232 -0.283 1.00 0.00 C ATOM 781 O ARG A 53 73.105 -3.380 -0.420 1.00 0.00 O ATOM 782 CB ARG A 53 70.694 -1.189 -1.099 1.00 0.00 C ATOM 783 CG ARG A 53 69.324 -0.624 -0.722 1.00 0.00 C ATOM 784 CD ARG A 53 68.439 -0.556 -1.969 1.00 0.00 C ATOM 785 NE ARG A 53 67.462 -1.666 -1.808 1.00 0.00 N ATOM 786 CZ ARG A 53 66.219 -1.405 -1.511 1.00 0.00 C ATOM 787 NH1 ARG A 53 65.621 -0.378 -2.052 1.00 0.00 N ATOM 788 NH2 ARG A 53 65.573 -2.168 -0.672 1.00 0.00 N ATOM 0 H ARG A 53 73.008 -0.604 -0.162 1.00 0.00 H new ATOM 0 HA ARG A 53 70.582 -2.072 0.897 1.00 0.00 H new ATOM 0 HB2 ARG A 53 71.345 -0.388 -1.449 1.00 0.00 H new ATOM 0 HB3 ARG A 53 70.593 -1.899 -1.920 1.00 0.00 H new ATOM 0 HG2 ARG A 53 68.856 -1.252 0.036 1.00 0.00 H new ATOM 0 HG3 ARG A 53 69.436 0.369 -0.288 1.00 0.00 H new ATOM 0 HD2 ARG A 53 67.934 0.407 -2.042 1.00 0.00 H new ATOM 0 HD3 ARG A 53 69.028 -0.677 -2.878 1.00 0.00 H new ATOM 0 HE ARG A 53 67.764 -2.632 -1.930 1.00 0.00 H new ATOM 0 HH11 ARG A 53 66.126 0.220 -2.706 1.00 0.00 H new ATOM 0 HH12 ARG A 53 64.649 -0.173 -1.820 1.00 0.00 H new ATOM 0 HH21 ARG A 53 66.040 -2.969 -0.248 1.00 0.00 H new ATOM 0 HH22 ARG A 53 64.601 -1.963 -0.441 1.00 0.00 H new ATOM 802 N THR A 54 71.076 -4.220 -0.464 1.00 0.00 N ATOM 803 CA THR A 54 71.582 -5.558 -0.848 1.00 0.00 C ATOM 804 C THR A 54 71.760 -5.646 -2.364 1.00 0.00 C ATOM 805 O THR A 54 71.237 -4.844 -3.112 1.00 0.00 O ATOM 806 CB THR A 54 70.492 -6.518 -0.382 1.00 0.00 C ATOM 807 OG1 THR A 54 69.311 -6.295 -1.140 1.00 0.00 O ATOM 808 CG2 THR A 54 70.201 -6.286 1.100 1.00 0.00 C ATOM 0 H THR A 54 70.063 -4.153 -0.361 1.00 0.00 H new ATOM 0 HA THR A 54 72.553 -5.782 -0.407 1.00 0.00 H new ATOM 0 HB THR A 54 70.828 -7.545 -0.525 1.00 0.00 H new ATOM 0 HG1 THR A 54 68.610 -6.912 -0.843 1.00 0.00 H new ATOM 0 HG21 THR A 54 69.422 -6.973 1.430 1.00 0.00 H new ATOM 0 HG22 THR A 54 71.107 -6.459 1.680 1.00 0.00 H new ATOM 0 HG23 THR A 54 69.866 -5.259 1.249 1.00 0.00 H new ATOM 816 N GLY A 55 72.493 -6.621 -2.819 1.00 0.00 N ATOM 817 CA GLY A 55 72.712 -6.782 -4.282 1.00 0.00 C ATOM 818 C GLY A 55 72.604 -8.263 -4.640 1.00 0.00 C ATOM 819 O GLY A 55 73.106 -9.117 -3.937 1.00 0.00 O ATOM 0 H GLY A 55 72.954 -7.319 -2.235 1.00 0.00 H new ATOM 0 HA2 GLY A 55 71.974 -6.205 -4.839 1.00 0.00 H new ATOM 0 HA3 GLY A 55 73.693 -6.398 -4.561 1.00 0.00 H new ATOM 823 N THR A 56 71.946 -8.576 -5.720 1.00 0.00 N ATOM 824 CA THR A 56 71.800 -10.007 -6.116 1.00 0.00 C ATOM 825 C THR A 56 71.067 -10.782 -5.016 1.00 0.00 C ATOM 826 O THR A 56 70.747 -10.243 -3.975 1.00 0.00 O ATOM 827 CB THR A 56 73.233 -10.526 -6.283 1.00 0.00 C ATOM 828 OG1 THR A 56 73.957 -9.668 -7.159 1.00 0.00 O ATOM 829 CG2 THR A 56 73.201 -11.939 -6.867 1.00 0.00 C ATOM 0 H THR A 56 71.502 -7.905 -6.347 1.00 0.00 H new ATOM 0 HA THR A 56 71.220 -10.127 -7.031 1.00 0.00 H new ATOM 0 HB THR A 56 73.723 -10.545 -5.310 1.00 0.00 H new ATOM 0 HG1 THR A 56 74.736 -10.145 -7.514 1.00 0.00 H new ATOM 0 HG21 THR A 56 74.220 -12.307 -6.985 1.00 0.00 H new ATOM 0 HG22 THR A 56 72.653 -12.598 -6.194 1.00 0.00 H new ATOM 0 HG23 THR A 56 72.707 -11.920 -7.838 1.00 0.00 H new ATOM 837 N ASN A 57 70.795 -12.040 -5.241 1.00 0.00 N ATOM 838 CA ASN A 57 70.078 -12.847 -4.211 1.00 0.00 C ATOM 839 C ASN A 57 70.602 -12.519 -2.809 1.00 0.00 C ATOM 840 O ASN A 57 69.865 -12.082 -1.947 1.00 0.00 O ATOM 841 CB ASN A 57 70.381 -14.303 -4.568 1.00 0.00 C ATOM 842 CG ASN A 57 69.556 -14.711 -5.789 1.00 0.00 C ATOM 843 OD1 ASN A 57 70.103 -15.075 -6.812 1.00 0.00 O ATOM 844 ND2 ASN A 57 68.253 -14.666 -5.727 1.00 0.00 N ATOM 0 H ASN A 57 71.038 -12.544 -6.094 1.00 0.00 H new ATOM 0 HA ASN A 57 69.008 -12.640 -4.202 1.00 0.00 H new ATOM 0 HB2 ASN A 57 71.444 -14.424 -4.777 1.00 0.00 H new ATOM 0 HB3 ASN A 57 70.147 -14.952 -3.724 1.00 0.00 H new ATOM 0 HD21 ASN A 57 67.694 -14.936 -6.536 1.00 0.00 H new ATOM 0 HD22 ASN A 57 67.793 -14.361 -4.869 1.00 0.00 H new ATOM 851 N ARG A 58 71.869 -12.726 -2.573 1.00 0.00 N ATOM 852 CA ARG A 58 72.434 -12.426 -1.225 1.00 0.00 C ATOM 853 C ARG A 58 73.964 -12.463 -1.273 1.00 0.00 C ATOM 854 O ARG A 58 74.614 -12.874 -0.331 1.00 0.00 O ATOM 855 CB ARG A 58 71.899 -13.533 -0.318 1.00 0.00 C ATOM 856 CG ARG A 58 72.387 -14.891 -0.823 1.00 0.00 C ATOM 857 CD ARG A 58 72.023 -15.976 0.193 1.00 0.00 C ATOM 858 NE ARG A 58 72.445 -17.254 -0.443 1.00 0.00 N ATOM 859 CZ ARG A 58 71.933 -18.385 -0.040 1.00 0.00 C ATOM 860 NH1 ARG A 58 71.664 -18.565 1.224 1.00 0.00 N ATOM 861 NH2 ARG A 58 71.689 -19.334 -0.902 1.00 0.00 N ATOM 0 H ARG A 58 72.537 -13.089 -3.253 1.00 0.00 H new ATOM 0 HA ARG A 58 72.152 -11.435 -0.869 1.00 0.00 H new ATOM 0 HB2 ARG A 58 72.236 -13.372 0.706 1.00 0.00 H new ATOM 0 HB3 ARG A 58 70.809 -13.510 -0.303 1.00 0.00 H new ATOM 0 HG2 ARG A 58 71.934 -15.116 -1.789 1.00 0.00 H new ATOM 0 HG3 ARG A 58 73.466 -14.868 -0.975 1.00 0.00 H new ATOM 0 HD2 ARG A 58 72.537 -15.818 1.141 1.00 0.00 H new ATOM 0 HD3 ARG A 58 70.954 -15.975 0.406 1.00 0.00 H new ATOM 0 HE ARG A 58 73.135 -17.246 -1.194 1.00 0.00 H new ATOM 0 HH11 ARG A 58 71.854 -17.822 1.897 1.00 0.00 H new ATOM 0 HH12 ARG A 58 71.264 -19.449 1.539 1.00 0.00 H new ATOM 0 HH21 ARG A 58 71.898 -19.192 -1.890 1.00 0.00 H new ATOM 0 HH22 ARG A 58 71.289 -20.218 -0.588 1.00 0.00 H new ATOM 875 N LYS A 59 74.545 -12.038 -2.361 1.00 0.00 N ATOM 876 CA LYS A 59 76.033 -12.052 -2.464 1.00 0.00 C ATOM 877 C LYS A 59 76.555 -10.668 -2.866 1.00 0.00 C ATOM 878 O LYS A 59 77.740 -10.405 -2.815 1.00 0.00 O ATOM 879 CB LYS A 59 76.345 -13.080 -3.552 1.00 0.00 C ATOM 880 CG LYS A 59 77.638 -13.817 -3.202 1.00 0.00 C ATOM 881 CD LYS A 59 78.055 -14.705 -4.376 1.00 0.00 C ATOM 882 CE LYS A 59 79.160 -15.662 -3.925 1.00 0.00 C ATOM 883 NZ LYS A 59 80.116 -15.708 -5.066 1.00 0.00 N ATOM 0 H LYS A 59 74.056 -11.682 -3.182 1.00 0.00 H new ATOM 0 HA LYS A 59 76.508 -12.304 -1.516 1.00 0.00 H new ATOM 0 HB2 LYS A 59 75.523 -13.790 -3.643 1.00 0.00 H new ATOM 0 HB3 LYS A 59 76.446 -12.584 -4.517 1.00 0.00 H new ATOM 0 HG2 LYS A 59 78.428 -13.100 -2.976 1.00 0.00 H new ATOM 0 HG3 LYS A 59 77.493 -14.423 -2.308 1.00 0.00 H new ATOM 0 HD2 LYS A 59 77.197 -15.270 -4.741 1.00 0.00 H new ATOM 0 HD3 LYS A 59 78.408 -14.090 -5.204 1.00 0.00 H new ATOM 0 HE2 LYS A 59 79.646 -15.305 -3.017 1.00 0.00 H new ATOM 0 HE3 LYS A 59 78.760 -16.652 -3.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 80.904 -16.345 -4.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 79.627 -16.058 -5.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 80.485 -14.753 -5.248 1.00 0.00 H new ATOM 897 N PHE A 60 75.683 -9.783 -3.266 1.00 0.00 N ATOM 898 CA PHE A 60 76.136 -8.421 -3.668 1.00 0.00 C ATOM 899 C PHE A 60 75.437 -7.357 -2.817 1.00 0.00 C ATOM 900 O PHE A 60 74.632 -7.667 -1.961 1.00 0.00 O ATOM 901 CB PHE A 60 75.736 -8.290 -5.138 1.00 0.00 C ATOM 902 CG PHE A 60 76.814 -7.551 -5.891 1.00 0.00 C ATOM 903 CD1 PHE A 60 78.081 -8.124 -6.048 1.00 0.00 C ATOM 904 CD2 PHE A 60 76.545 -6.289 -6.435 1.00 0.00 C ATOM 905 CE1 PHE A 60 79.078 -7.437 -6.749 1.00 0.00 C ATOM 906 CE2 PHE A 60 77.542 -5.601 -7.136 1.00 0.00 C ATOM 907 CZ PHE A 60 78.810 -6.175 -7.292 1.00 0.00 C ATOM 0 H PHE A 60 74.678 -9.944 -3.332 1.00 0.00 H new ATOM 0 HA PHE A 60 77.208 -8.281 -3.525 1.00 0.00 H new ATOM 0 HB2 PHE A 60 75.585 -9.278 -5.574 1.00 0.00 H new ATOM 0 HB3 PHE A 60 74.789 -7.757 -5.222 1.00 0.00 H new ATOM 0 HD1 PHE A 60 78.289 -9.097 -5.628 1.00 0.00 H new ATOM 0 HD2 PHE A 60 75.567 -5.846 -6.314 1.00 0.00 H new ATOM 0 HE1 PHE A 60 80.055 -7.881 -6.871 1.00 0.00 H new ATOM 0 HE2 PHE A 60 77.334 -4.628 -7.556 1.00 0.00 H new ATOM 0 HZ PHE A 60 79.581 -5.644 -7.831 1.00 0.00 H new ATOM 917 N GLY A 61 75.738 -6.106 -3.041 1.00 0.00 N ATOM 918 CA GLY A 61 75.087 -5.027 -2.240 1.00 0.00 C ATOM 919 C GLY A 61 75.593 -3.653 -2.691 1.00 0.00 C ATOM 920 O GLY A 61 76.602 -3.537 -3.358 1.00 0.00 O ATOM 0 H GLY A 61 76.405 -5.784 -3.742 1.00 0.00 H new ATOM 0 HA2 GLY A 61 74.005 -5.080 -2.357 1.00 0.00 H new ATOM 0 HA3 GLY A 61 75.301 -5.171 -1.181 1.00 0.00 H new ATOM 924 N TYR A 62 74.894 -2.611 -2.324 1.00 0.00 N ATOM 925 CA TYR A 62 75.317 -1.231 -2.716 1.00 0.00 C ATOM 926 C TYR A 62 75.422 -0.354 -1.476 1.00 0.00 C ATOM 927 O TYR A 62 74.833 -0.637 -0.451 1.00 0.00 O ATOM 928 CB TYR A 62 74.215 -0.727 -3.650 1.00 0.00 C ATOM 929 CG TYR A 62 74.653 0.557 -4.312 1.00 0.00 C ATOM 930 CD1 TYR A 62 74.742 1.736 -3.562 1.00 0.00 C ATOM 931 CD2 TYR A 62 74.967 0.570 -5.676 1.00 0.00 C ATOM 932 CE1 TYR A 62 75.144 2.928 -4.176 1.00 0.00 C ATOM 933 CE2 TYR A 62 75.370 1.762 -6.290 1.00 0.00 C ATOM 934 CZ TYR A 62 75.459 2.941 -5.540 1.00 0.00 C ATOM 935 OH TYR A 62 75.856 4.115 -6.146 1.00 0.00 O ATOM 0 H TYR A 62 74.042 -2.656 -1.765 1.00 0.00 H new ATOM 0 HA TYR A 62 76.292 -1.213 -3.203 1.00 0.00 H new ATOM 0 HB2 TYR A 62 73.994 -1.480 -4.407 1.00 0.00 H new ATOM 0 HB3 TYR A 62 73.296 -0.562 -3.087 1.00 0.00 H new ATOM 0 HD1 TYR A 62 74.500 1.726 -2.509 1.00 0.00 H new ATOM 0 HD2 TYR A 62 74.898 -0.339 -6.255 1.00 0.00 H new ATOM 0 HE1 TYR A 62 75.211 3.838 -3.598 1.00 0.00 H new ATOM 0 HE2 TYR A 62 75.612 1.772 -7.342 1.00 0.00 H new ATOM 0 HH TYR A 62 76.038 3.948 -7.095 1.00 0.00 H new ATOM 945 N VAL A 63 76.187 0.699 -1.549 1.00 0.00 N ATOM 946 CA VAL A 63 76.344 1.569 -0.358 1.00 0.00 C ATOM 947 C VAL A 63 76.645 3.012 -0.774 1.00 0.00 C ATOM 948 O VAL A 63 77.321 3.262 -1.753 1.00 0.00 O ATOM 949 CB VAL A 63 77.533 0.973 0.397 1.00 0.00 C ATOM 950 CG1 VAL A 63 77.557 1.529 1.811 1.00 0.00 C ATOM 951 CG2 VAL A 63 77.404 -0.551 0.465 1.00 0.00 C ATOM 0 H VAL A 63 76.706 0.991 -2.377 1.00 0.00 H new ATOM 0 HA VAL A 63 75.439 1.605 0.248 1.00 0.00 H new ATOM 0 HB VAL A 63 78.453 1.234 -0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 63 78.403 1.107 2.354 1.00 0.00 H new ATOM 0 HG12 VAL A 63 77.654 2.614 1.774 1.00 0.00 H new ATOM 0 HG13 VAL A 63 76.631 1.265 2.321 1.00 0.00 H new ATOM 0 HG21 VAL A 63 78.256 -0.965 1.005 1.00 0.00 H new ATOM 0 HG22 VAL A 63 76.483 -0.815 0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 63 77.381 -0.960 -0.545 1.00 0.00 H new ATOM 961 N ASP A 64 76.150 3.961 -0.030 1.00 0.00 N ATOM 962 CA ASP A 64 76.402 5.388 -0.360 1.00 0.00 C ATOM 963 C ASP A 64 77.207 6.043 0.764 1.00 0.00 C ATOM 964 O ASP A 64 77.026 5.737 1.927 1.00 0.00 O ATOM 965 CB ASP A 64 75.015 6.015 -0.455 1.00 0.00 C ATOM 966 CG ASP A 64 74.135 5.172 -1.381 1.00 0.00 C ATOM 967 OD1 ASP A 64 73.946 4.004 -1.084 1.00 0.00 O ATOM 968 OD2 ASP A 64 73.664 5.709 -2.370 1.00 0.00 O ATOM 0 H ASP A 64 75.577 3.806 0.799 1.00 0.00 H new ATOM 0 HA ASP A 64 76.971 5.513 -1.281 1.00 0.00 H new ATOM 0 HB2 ASP A 64 74.564 6.077 0.535 1.00 0.00 H new ATOM 0 HB3 ASP A 64 75.090 7.034 -0.836 1.00 0.00 H new ATOM 973 N PHE A 65 78.095 6.938 0.431 1.00 0.00 N ATOM 974 CA PHE A 65 78.909 7.604 1.488 1.00 0.00 C ATOM 975 C PHE A 65 78.453 9.050 1.686 1.00 0.00 C ATOM 976 O PHE A 65 77.565 9.528 1.009 1.00 0.00 O ATOM 977 CB PHE A 65 80.348 7.536 0.981 1.00 0.00 C ATOM 978 CG PHE A 65 80.848 6.123 1.155 1.00 0.00 C ATOM 979 CD1 PHE A 65 80.701 5.483 2.392 1.00 0.00 C ATOM 980 CD2 PHE A 65 81.446 5.449 0.084 1.00 0.00 C ATOM 981 CE1 PHE A 65 81.150 4.168 2.558 1.00 0.00 C ATOM 982 CE2 PHE A 65 81.897 4.133 0.251 1.00 0.00 C ATOM 983 CZ PHE A 65 81.748 3.493 1.489 1.00 0.00 C ATOM 0 H PHE A 65 78.292 7.237 -0.524 1.00 0.00 H new ATOM 0 HA PHE A 65 78.804 7.120 2.459 1.00 0.00 H new ATOM 0 HB2 PHE A 65 80.395 7.828 -0.068 1.00 0.00 H new ATOM 0 HB3 PHE A 65 80.978 8.232 1.534 1.00 0.00 H new ATOM 0 HD1 PHE A 65 80.241 6.005 3.218 1.00 0.00 H new ATOM 0 HD2 PHE A 65 81.560 5.943 -0.870 1.00 0.00 H new ATOM 0 HE1 PHE A 65 81.035 3.674 3.512 1.00 0.00 H new ATOM 0 HE2 PHE A 65 82.359 3.612 -0.574 1.00 0.00 H new ATOM 0 HZ PHE A 65 82.095 2.478 1.617 1.00 0.00 H new ATOM 993 N GLU A 66 79.032 9.741 2.628 1.00 0.00 N ATOM 994 CA GLU A 66 78.604 11.144 2.890 1.00 0.00 C ATOM 995 C GLU A 66 79.699 12.146 2.518 1.00 0.00 C ATOM 996 O GLU A 66 79.633 13.305 2.876 1.00 0.00 O ATOM 997 CB GLU A 66 78.330 11.193 4.394 1.00 0.00 C ATOM 998 CG GLU A 66 76.827 11.331 4.642 1.00 0.00 C ATOM 999 CD GLU A 66 76.512 12.759 5.089 1.00 0.00 C ATOM 1000 OE1 GLU A 66 76.963 13.138 6.158 1.00 0.00 O ATOM 1001 OE2 GLU A 66 75.824 13.451 4.356 1.00 0.00 O ATOM 0 H GLU A 66 79.782 9.396 3.227 1.00 0.00 H new ATOM 0 HA GLU A 66 77.733 11.413 2.293 1.00 0.00 H new ATOM 0 HB2 GLU A 66 78.705 10.288 4.871 1.00 0.00 H new ATOM 0 HB3 GLU A 66 78.861 12.033 4.843 1.00 0.00 H new ATOM 0 HG2 GLU A 66 76.274 11.093 3.733 1.00 0.00 H new ATOM 0 HG3 GLU A 66 76.507 10.621 5.405 1.00 0.00 H new ATOM 1008 N SER A 67 80.698 11.722 1.800 1.00 0.00 N ATOM 1009 CA SER A 67 81.779 12.679 1.414 1.00 0.00 C ATOM 1010 C SER A 67 82.889 12.001 0.628 1.00 0.00 C ATOM 1011 O SER A 67 82.907 10.801 0.428 1.00 0.00 O ATOM 1012 CB SER A 67 82.354 13.201 2.727 1.00 0.00 C ATOM 1013 OG SER A 67 82.684 12.100 3.564 1.00 0.00 O ATOM 0 H SER A 67 80.817 10.766 1.465 1.00 0.00 H new ATOM 0 HA SER A 67 81.373 13.466 0.778 1.00 0.00 H new ATOM 0 HB2 SER A 67 83.240 13.805 2.535 1.00 0.00 H new ATOM 0 HB3 SER A 67 81.630 13.847 3.224 1.00 0.00 H new ATOM 0 HG SER A 67 81.890 11.822 4.067 1.00 0.00 H new ATOM 1019 N ALA A 68 83.843 12.785 0.229 1.00 0.00 N ATOM 1020 CA ALA A 68 85.012 12.247 -0.503 1.00 0.00 C ATOM 1021 C ALA A 68 85.914 11.578 0.513 1.00 0.00 C ATOM 1022 O ALA A 68 86.720 10.722 0.206 1.00 0.00 O ATOM 1023 CB ALA A 68 85.704 13.478 -1.072 1.00 0.00 C ATOM 0 H ALA A 68 83.862 13.793 0.382 1.00 0.00 H new ATOM 0 HA ALA A 68 84.756 11.529 -1.282 1.00 0.00 H new ATOM 0 HB1 ALA A 68 86.587 13.172 -1.634 1.00 0.00 H new ATOM 0 HB2 ALA A 68 85.018 14.008 -1.734 1.00 0.00 H new ATOM 0 HB3 ALA A 68 86.003 14.137 -0.257 1.00 0.00 H new ATOM 1029 N GLU A 69 85.766 11.989 1.736 1.00 0.00 N ATOM 1030 CA GLU A 69 86.583 11.425 2.828 1.00 0.00 C ATOM 1031 C GLU A 69 85.991 10.087 3.269 1.00 0.00 C ATOM 1032 O GLU A 69 86.687 9.217 3.755 1.00 0.00 O ATOM 1033 CB GLU A 69 86.478 12.475 3.924 1.00 0.00 C ATOM 1034 CG GLU A 69 87.858 12.715 4.531 1.00 0.00 C ATOM 1035 CD GLU A 69 87.854 12.293 6.001 1.00 0.00 C ATOM 1036 OE1 GLU A 69 86.875 12.569 6.674 1.00 0.00 O ATOM 1037 OE2 GLU A 69 88.832 11.703 6.430 1.00 0.00 O ATOM 0 H GLU A 69 85.100 12.705 2.026 1.00 0.00 H new ATOM 0 HA GLU A 69 87.618 11.223 2.552 1.00 0.00 H new ATOM 0 HB2 GLU A 69 86.082 13.405 3.515 1.00 0.00 H new ATOM 0 HB3 GLU A 69 85.782 12.144 4.695 1.00 0.00 H new ATOM 0 HG2 GLU A 69 88.611 12.149 3.982 1.00 0.00 H new ATOM 0 HG3 GLU A 69 88.126 13.768 4.446 1.00 0.00 H new ATOM 1044 N ASP A 70 84.713 9.902 3.068 1.00 0.00 N ATOM 1045 CA ASP A 70 84.087 8.611 3.439 1.00 0.00 C ATOM 1046 C ASP A 70 84.323 7.639 2.295 1.00 0.00 C ATOM 1047 O ASP A 70 84.394 6.441 2.476 1.00 0.00 O ATOM 1048 CB ASP A 70 82.594 8.907 3.591 1.00 0.00 C ATOM 1049 CG ASP A 70 82.374 9.858 4.768 1.00 0.00 C ATOM 1050 OD1 ASP A 70 83.197 9.858 5.668 1.00 0.00 O ATOM 1051 OD2 ASP A 70 81.383 10.570 4.746 1.00 0.00 O ATOM 0 H ASP A 70 84.080 10.592 2.663 1.00 0.00 H new ATOM 0 HA ASP A 70 84.491 8.180 4.355 1.00 0.00 H new ATOM 0 HB2 ASP A 70 82.207 9.352 2.674 1.00 0.00 H new ATOM 0 HB3 ASP A 70 82.044 7.980 3.753 1.00 0.00 H new ATOM 1056 N LEU A 71 84.455 8.166 1.109 1.00 0.00 N ATOM 1057 CA LEU A 71 84.699 7.297 -0.065 1.00 0.00 C ATOM 1058 C LEU A 71 86.172 6.879 -0.103 1.00 0.00 C ATOM 1059 O LEU A 71 86.508 5.783 -0.506 1.00 0.00 O ATOM 1060 CB LEU A 71 84.343 8.160 -1.280 1.00 0.00 C ATOM 1061 CG LEU A 71 84.585 7.372 -2.573 1.00 0.00 C ATOM 1062 CD1 LEU A 71 86.085 7.321 -2.870 1.00 0.00 C ATOM 1063 CD2 LEU A 71 84.047 5.946 -2.417 1.00 0.00 C ATOM 0 H LEU A 71 84.403 9.164 0.907 1.00 0.00 H new ATOM 0 HA LEU A 71 84.109 6.381 -0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 71 83.299 8.470 -1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 71 84.945 9.068 -1.280 1.00 0.00 H new ATOM 0 HG LEU A 71 84.068 7.865 -3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 71 86.255 6.761 -3.789 1.00 0.00 H new ATOM 0 HD12 LEU A 71 86.467 8.335 -2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 71 86.603 6.831 -2.045 1.00 0.00 H new ATOM 0 HD21 LEU A 71 84.221 5.389 -3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 71 84.560 5.452 -1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 71 82.977 5.981 -2.211 1.00 0.00 H new ATOM 1075 N GLU A 72 87.052 7.745 0.325 1.00 0.00 N ATOM 1076 CA GLU A 72 88.503 7.399 0.324 1.00 0.00 C ATOM 1077 C GLU A 72 88.806 6.431 1.470 1.00 0.00 C ATOM 1078 O GLU A 72 89.571 5.494 1.324 1.00 0.00 O ATOM 1079 CB GLU A 72 89.229 8.728 0.535 1.00 0.00 C ATOM 1080 CG GLU A 72 90.574 8.698 -0.194 1.00 0.00 C ATOM 1081 CD GLU A 72 91.659 9.280 0.712 1.00 0.00 C ATOM 1082 OE1 GLU A 72 91.538 9.135 1.917 1.00 0.00 O ATOM 1083 OE2 GLU A 72 92.594 9.861 0.186 1.00 0.00 O ATOM 0 H GLU A 72 86.829 8.677 0.675 1.00 0.00 H new ATOM 0 HA GLU A 72 88.815 6.911 -0.600 1.00 0.00 H new ATOM 0 HB2 GLU A 72 88.619 9.551 0.161 1.00 0.00 H new ATOM 0 HB3 GLU A 72 89.384 8.904 1.599 1.00 0.00 H new ATOM 0 HG2 GLU A 72 90.827 7.674 -0.471 1.00 0.00 H new ATOM 0 HG3 GLU A 72 90.511 9.272 -1.119 1.00 0.00 H new ATOM 1090 N LYS A 73 88.185 6.628 2.601 1.00 0.00 N ATOM 1091 CA LYS A 73 88.412 5.705 3.736 1.00 0.00 C ATOM 1092 C LYS A 73 87.574 4.461 3.495 1.00 0.00 C ATOM 1093 O LYS A 73 87.806 3.413 4.062 1.00 0.00 O ATOM 1094 CB LYS A 73 87.930 6.457 4.978 1.00 0.00 C ATOM 1095 CG LYS A 73 89.027 7.413 5.453 1.00 0.00 C ATOM 1096 CD LYS A 73 88.899 7.628 6.961 1.00 0.00 C ATOM 1097 CE LYS A 73 88.624 9.106 7.246 1.00 0.00 C ATOM 1098 NZ LYS A 73 88.490 9.194 8.727 1.00 0.00 N ATOM 0 H LYS A 73 87.531 7.390 2.783 1.00 0.00 H new ATOM 0 HA LYS A 73 89.453 5.403 3.852 1.00 0.00 H new ATOM 0 HB2 LYS A 73 87.021 7.014 4.749 1.00 0.00 H new ATOM 0 HB3 LYS A 73 87.680 5.751 5.770 1.00 0.00 H new ATOM 0 HG2 LYS A 73 90.009 7.003 5.215 1.00 0.00 H new ATOM 0 HG3 LYS A 73 88.944 8.366 4.931 1.00 0.00 H new ATOM 0 HD2 LYS A 73 88.091 7.014 7.359 1.00 0.00 H new ATOM 0 HD3 LYS A 73 89.815 7.315 7.462 1.00 0.00 H new ATOM 0 HE2 LYS A 73 89.437 9.736 6.885 1.00 0.00 H new ATOM 0 HE3 LYS A 73 87.715 9.442 6.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 87.718 9.848 8.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 88.279 8.252 9.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 89.380 9.544 9.136 1.00 0.00 H new ATOM 1112 N ALA A 74 86.601 4.578 2.632 1.00 0.00 N ATOM 1113 CA ALA A 74 85.746 3.416 2.322 1.00 0.00 C ATOM 1114 C ALA A 74 86.475 2.497 1.344 1.00 0.00 C ATOM 1115 O ALA A 74 86.266 1.300 1.319 1.00 0.00 O ATOM 1116 CB ALA A 74 84.491 4.002 1.681 1.00 0.00 C ATOM 0 H ALA A 74 86.367 5.435 2.131 1.00 0.00 H new ATOM 0 HA ALA A 74 85.503 2.825 3.205 1.00 0.00 H new ATOM 0 HB1 ALA A 74 83.805 3.196 1.422 1.00 0.00 H new ATOM 0 HB2 ALA A 74 84.006 4.680 2.384 1.00 0.00 H new ATOM 0 HB3 ALA A 74 84.765 4.549 0.779 1.00 0.00 H new ATOM 1122 N LEU A 75 87.341 3.054 0.541 1.00 0.00 N ATOM 1123 CA LEU A 75 88.101 2.225 -0.432 1.00 0.00 C ATOM 1124 C LEU A 75 89.247 1.528 0.294 1.00 0.00 C ATOM 1125 O LEU A 75 89.488 0.351 0.111 1.00 0.00 O ATOM 1126 CB LEU A 75 88.637 3.212 -1.468 1.00 0.00 C ATOM 1127 CG LEU A 75 89.617 2.495 -2.398 1.00 0.00 C ATOM 1128 CD1 LEU A 75 89.520 3.095 -3.802 1.00 0.00 C ATOM 1129 CD2 LEU A 75 91.042 2.668 -1.867 1.00 0.00 C ATOM 0 H LEU A 75 87.554 4.051 0.519 1.00 0.00 H new ATOM 0 HA LEU A 75 87.490 1.453 -0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 75 87.813 3.633 -2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 75 89.135 4.044 -0.970 1.00 0.00 H new ATOM 0 HG LEU A 75 89.370 1.434 -2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 75 90.218 2.584 -4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 75 88.505 2.973 -4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 75 89.767 4.156 -3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 75 91.741 2.157 -2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 75 91.289 3.729 -1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 75 91.112 2.241 -0.867 1.00 0.00 H new ATOM 1141 N GLU A 76 89.949 2.242 1.132 1.00 0.00 N ATOM 1142 CA GLU A 76 91.066 1.606 1.881 1.00 0.00 C ATOM 1143 C GLU A 76 90.493 0.657 2.932 1.00 0.00 C ATOM 1144 O GLU A 76 91.136 -0.281 3.360 1.00 0.00 O ATOM 1145 CB GLU A 76 91.805 2.761 2.551 1.00 0.00 C ATOM 1146 CG GLU A 76 93.210 2.885 1.956 1.00 0.00 C ATOM 1147 CD GLU A 76 93.965 4.014 2.660 1.00 0.00 C ATOM 1148 OE1 GLU A 76 93.455 5.123 2.674 1.00 0.00 O ATOM 1149 OE2 GLU A 76 95.040 3.752 3.172 1.00 0.00 O ATOM 0 H GLU A 76 89.798 3.231 1.328 1.00 0.00 H new ATOM 0 HA GLU A 76 91.728 1.025 1.238 1.00 0.00 H new ATOM 0 HB2 GLU A 76 91.255 3.691 2.407 1.00 0.00 H new ATOM 0 HB3 GLU A 76 91.868 2.591 3.626 1.00 0.00 H new ATOM 0 HG2 GLU A 76 93.750 1.945 2.072 1.00 0.00 H new ATOM 0 HG3 GLU A 76 93.147 3.087 0.887 1.00 0.00 H new ATOM 1156 N LEU A 77 89.279 0.899 3.344 1.00 0.00 N ATOM 1157 CA LEU A 77 88.641 0.019 4.363 1.00 0.00 C ATOM 1158 C LEU A 77 88.460 -1.386 3.798 1.00 0.00 C ATOM 1159 O LEU A 77 88.212 -2.330 4.520 1.00 0.00 O ATOM 1160 CB LEU A 77 87.283 0.656 4.629 1.00 0.00 C ATOM 1161 CG LEU A 77 87.264 1.237 6.037 1.00 0.00 C ATOM 1162 CD1 LEU A 77 86.374 2.478 6.055 1.00 0.00 C ATOM 1163 CD2 LEU A 77 86.711 0.189 7.003 1.00 0.00 C ATOM 0 H LEU A 77 88.699 1.672 3.017 1.00 0.00 H new ATOM 0 HA LEU A 77 89.240 -0.071 5.269 1.00 0.00 H new ATOM 0 HB2 LEU A 77 87.087 1.440 3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 77 86.493 -0.087 4.519 1.00 0.00 H new ATOM 0 HG LEU A 77 88.274 1.513 6.341 1.00 0.00 H new ATOM 0 HD11 LEU A 77 86.356 2.899 7.060 1.00 0.00 H new ATOM 0 HD12 LEU A 77 86.768 3.218 5.359 1.00 0.00 H new ATOM 0 HD13 LEU A 77 85.362 2.204 5.759 1.00 0.00 H new ATOM 0 HD21 LEU A 77 86.694 0.598 8.013 1.00 0.00 H new ATOM 0 HD22 LEU A 77 85.698 -0.082 6.705 1.00 0.00 H new ATOM 0 HD23 LEU A 77 87.345 -0.697 6.981 1.00 0.00 H new ATOM 1175 N THR A 78 88.581 -1.519 2.507 1.00 0.00 N ATOM 1176 CA THR A 78 88.414 -2.853 1.859 1.00 0.00 C ATOM 1177 C THR A 78 89.012 -3.953 2.721 1.00 0.00 C ATOM 1178 O THR A 78 88.583 -5.089 2.700 1.00 0.00 O ATOM 1179 CB THR A 78 89.152 -2.748 0.524 1.00 0.00 C ATOM 1180 OG1 THR A 78 90.209 -1.806 0.643 1.00 0.00 O ATOM 1181 CG2 THR A 78 88.179 -2.292 -0.565 1.00 0.00 C ATOM 0 H THR A 78 88.790 -0.754 1.866 1.00 0.00 H new ATOM 0 HA THR A 78 87.363 -3.107 1.723 1.00 0.00 H new ATOM 0 HB THR A 78 89.561 -3.722 0.256 1.00 0.00 H new ATOM 0 HG1 THR A 78 89.970 -0.984 0.166 1.00 0.00 H new ATOM 0 HG21 THR A 78 88.706 -2.218 -1.516 1.00 0.00 H new ATOM 0 HG22 THR A 78 87.369 -3.015 -0.655 1.00 0.00 H new ATOM 0 HG23 THR A 78 87.768 -1.318 -0.301 1.00 0.00 H new ATOM 1189 N GLY A 79 89.988 -3.613 3.486 1.00 0.00 N ATOM 1190 CA GLY A 79 90.627 -4.619 4.378 1.00 0.00 C ATOM 1191 C GLY A 79 89.543 -5.324 5.199 1.00 0.00 C ATOM 1192 O GLY A 79 89.710 -6.449 5.630 1.00 0.00 O ATOM 0 H GLY A 79 90.383 -2.674 3.540 1.00 0.00 H new ATOM 0 HA2 GLY A 79 91.183 -5.346 3.786 1.00 0.00 H new ATOM 0 HA3 GLY A 79 91.343 -4.133 5.040 1.00 0.00 H new ATOM 1196 N LEU A 80 88.433 -4.671 5.423 1.00 0.00 N ATOM 1197 CA LEU A 80 87.341 -5.297 6.217 1.00 0.00 C ATOM 1198 C LEU A 80 86.760 -6.506 5.486 1.00 0.00 C ATOM 1199 O LEU A 80 86.439 -6.447 4.317 1.00 0.00 O ATOM 1200 CB LEU A 80 86.296 -4.187 6.390 1.00 0.00 C ATOM 1201 CG LEU A 80 85.319 -4.158 5.207 1.00 0.00 C ATOM 1202 CD1 LEU A 80 84.146 -3.235 5.539 1.00 0.00 C ATOM 1203 CD2 LEU A 80 86.035 -3.636 3.961 1.00 0.00 C ATOM 0 H LEU A 80 88.237 -3.728 5.088 1.00 0.00 H new ATOM 0 HA LEU A 80 87.691 -5.674 7.178 1.00 0.00 H new ATOM 0 HB2 LEU A 80 85.745 -4.344 7.317 1.00 0.00 H new ATOM 0 HB3 LEU A 80 86.796 -3.222 6.476 1.00 0.00 H new ATOM 0 HG LEU A 80 84.951 -5.167 5.019 1.00 0.00 H new ATOM 0 HD11 LEU A 80 83.451 -3.213 4.699 1.00 0.00 H new ATOM 0 HD12 LEU A 80 83.632 -3.605 6.426 1.00 0.00 H new ATOM 0 HD13 LEU A 80 84.518 -2.228 5.728 1.00 0.00 H new ATOM 0 HD21 LEU A 80 85.339 -3.617 3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 80 86.405 -2.628 4.149 1.00 0.00 H new ATOM 0 HD23 LEU A 80 86.873 -4.291 3.722 1.00 0.00 H new ATOM 1215 N LYS A 81 86.618 -7.596 6.181 1.00 0.00 N ATOM 1216 CA LYS A 81 86.049 -8.820 5.553 1.00 0.00 C ATOM 1217 C LYS A 81 84.674 -9.093 6.110 1.00 0.00 C ATOM 1218 O LYS A 81 84.484 -9.912 6.988 1.00 0.00 O ATOM 1219 CB LYS A 81 86.961 -9.937 5.949 1.00 0.00 C ATOM 1220 CG LYS A 81 87.934 -10.247 4.815 1.00 0.00 C ATOM 1221 CD LYS A 81 89.318 -10.545 5.395 1.00 0.00 C ATOM 1222 CE LYS A 81 90.388 -10.260 4.338 1.00 0.00 C ATOM 1223 NZ LYS A 81 90.122 -11.239 3.248 1.00 0.00 N ATOM 0 H LYS A 81 86.873 -7.694 7.164 1.00 0.00 H new ATOM 0 HA LYS A 81 85.967 -8.712 4.472 1.00 0.00 H new ATOM 0 HB2 LYS A 81 87.513 -9.664 6.848 1.00 0.00 H new ATOM 0 HB3 LYS A 81 86.377 -10.825 6.191 1.00 0.00 H new ATOM 0 HG2 LYS A 81 87.578 -11.102 4.240 1.00 0.00 H new ATOM 0 HG3 LYS A 81 87.990 -9.402 4.129 1.00 0.00 H new ATOM 0 HD2 LYS A 81 89.493 -9.932 6.279 1.00 0.00 H new ATOM 0 HD3 LYS A 81 89.374 -11.586 5.713 1.00 0.00 H new ATOM 0 HE2 LYS A 81 90.320 -9.235 3.973 1.00 0.00 H new ATOM 0 HE3 LYS A 81 91.390 -10.387 4.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 90.975 -11.348 2.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 89.866 -12.158 3.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 89.339 -10.895 2.656 1.00 0.00 H new ATOM 1237 N VAL A 82 83.731 -8.406 5.596 1.00 0.00 N ATOM 1238 CA VAL A 82 82.322 -8.586 6.060 1.00 0.00 C ATOM 1239 C VAL A 82 82.051 -10.077 6.302 1.00 0.00 C ATOM 1240 O VAL A 82 82.219 -10.899 5.423 1.00 0.00 O ATOM 1241 CB VAL A 82 81.447 -8.025 4.928 1.00 0.00 C ATOM 1242 CG1 VAL A 82 81.092 -9.125 3.921 1.00 0.00 C ATOM 1243 CG2 VAL A 82 80.158 -7.455 5.524 1.00 0.00 C ATOM 0 H VAL A 82 83.857 -7.710 4.861 1.00 0.00 H new ATOM 0 HA VAL A 82 82.114 -8.073 6.999 1.00 0.00 H new ATOM 0 HB VAL A 82 82.003 -7.243 4.411 1.00 0.00 H new ATOM 0 HG11 VAL A 82 80.472 -8.706 3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 82 82.006 -9.533 3.490 1.00 0.00 H new ATOM 0 HG13 VAL A 82 80.545 -9.920 4.428 1.00 0.00 H new ATOM 0 HG21 VAL A 82 79.533 -7.056 4.725 1.00 0.00 H new ATOM 0 HG22 VAL A 82 79.618 -8.245 6.046 1.00 0.00 H new ATOM 0 HG23 VAL A 82 80.403 -6.658 6.226 1.00 0.00 H new ATOM 1253 N PHE A 83 81.651 -10.430 7.489 1.00 0.00 N ATOM 1254 CA PHE A 83 81.391 -11.867 7.795 1.00 0.00 C ATOM 1255 C PHE A 83 82.500 -12.754 7.212 1.00 0.00 C ATOM 1256 O PHE A 83 82.296 -13.925 6.959 1.00 0.00 O ATOM 1257 CB PHE A 83 80.048 -12.177 7.138 1.00 0.00 C ATOM 1258 CG PHE A 83 78.947 -11.943 8.141 1.00 0.00 C ATOM 1259 CD1 PHE A 83 78.668 -12.912 9.111 1.00 0.00 C ATOM 1260 CD2 PHE A 83 78.211 -10.754 8.107 1.00 0.00 C ATOM 1261 CE1 PHE A 83 77.650 -12.692 10.047 1.00 0.00 C ATOM 1262 CE2 PHE A 83 77.195 -10.533 9.043 1.00 0.00 C ATOM 1263 CZ PHE A 83 76.914 -11.503 10.014 1.00 0.00 C ATOM 0 H PHE A 83 81.492 -9.786 8.264 1.00 0.00 H new ATOM 0 HA PHE A 83 81.373 -12.060 8.868 1.00 0.00 H new ATOM 0 HB2 PHE A 83 79.901 -11.544 6.263 1.00 0.00 H new ATOM 0 HB3 PHE A 83 80.028 -13.210 6.791 1.00 0.00 H new ATOM 0 HD1 PHE A 83 79.238 -13.829 9.138 1.00 0.00 H new ATOM 0 HD2 PHE A 83 78.427 -10.006 7.358 1.00 0.00 H new ATOM 0 HE1 PHE A 83 77.433 -13.441 10.795 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.627 -9.615 9.017 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.130 -11.333 10.737 1.00 0.00 H new ATOM 1273 N GLY A 84 83.674 -12.214 7.005 1.00 0.00 N ATOM 1274 CA GLY A 84 84.785 -13.041 6.451 1.00 0.00 C ATOM 1275 C GLY A 84 84.822 -12.903 4.928 1.00 0.00 C ATOM 1276 O GLY A 84 85.398 -13.721 4.237 1.00 0.00 O ATOM 0 H GLY A 84 83.910 -11.240 7.195 1.00 0.00 H new ATOM 0 HA2 GLY A 84 85.736 -12.722 6.878 1.00 0.00 H new ATOM 0 HA3 GLY A 84 84.646 -14.086 6.728 1.00 0.00 H new ATOM 1280 N ASN A 85 84.219 -11.876 4.399 1.00 0.00 N ATOM 1281 CA ASN A 85 84.227 -11.691 2.920 1.00 0.00 C ATOM 1282 C ASN A 85 84.583 -10.244 2.571 1.00 0.00 C ATOM 1283 O ASN A 85 83.726 -9.389 2.485 1.00 0.00 O ATOM 1284 CB ASN A 85 82.802 -12.019 2.472 1.00 0.00 C ATOM 1285 CG ASN A 85 82.808 -13.321 1.668 1.00 0.00 C ATOM 1286 OD1 ASN A 85 83.182 -13.334 0.512 1.00 0.00 O ATOM 1287 ND2 ASN A 85 82.406 -14.425 2.236 1.00 0.00 N ATOM 0 H ASN A 85 83.722 -11.157 4.925 1.00 0.00 H new ATOM 0 HA ASN A 85 84.964 -12.326 2.427 1.00 0.00 H new ATOM 0 HB2 ASN A 85 82.150 -12.118 3.340 1.00 0.00 H new ATOM 0 HB3 ASN A 85 82.404 -11.206 1.865 1.00 0.00 H new ATOM 0 HD21 ASN A 85 82.406 -15.299 1.710 1.00 0.00 H new ATOM 0 HD22 ASN A 85 82.092 -14.414 3.206 1.00 0.00 H new ATOM 1294 N GLU A 86 85.844 -9.967 2.371 1.00 0.00 N ATOM 1295 CA GLU A 86 86.266 -8.577 2.028 1.00 0.00 C ATOM 1296 C GLU A 86 85.291 -7.945 1.037 1.00 0.00 C ATOM 1297 O GLU A 86 85.434 -8.074 -0.162 1.00 0.00 O ATOM 1298 CB GLU A 86 87.649 -8.734 1.405 1.00 0.00 C ATOM 1299 CG GLU A 86 88.015 -7.470 0.626 1.00 0.00 C ATOM 1300 CD GLU A 86 89.536 -7.371 0.496 1.00 0.00 C ATOM 1301 OE1 GLU A 86 90.075 -7.985 -0.411 1.00 0.00 O ATOM 1302 OE2 GLU A 86 90.137 -6.684 1.306 1.00 0.00 O ATOM 0 H GLU A 86 86.603 -10.646 2.431 1.00 0.00 H new ATOM 0 HA GLU A 86 86.281 -7.923 2.900 1.00 0.00 H new ATOM 0 HB2 GLU A 86 88.389 -8.919 2.183 1.00 0.00 H new ATOM 0 HB3 GLU A 86 87.662 -9.598 0.741 1.00 0.00 H new ATOM 0 HG2 GLU A 86 87.556 -7.494 -0.362 1.00 0.00 H new ATOM 0 HG3 GLU A 86 87.625 -6.590 1.137 1.00 0.00 H new ATOM 1309 N ILE A 87 84.302 -7.259 1.535 1.00 0.00 N ATOM 1310 CA ILE A 87 83.319 -6.611 0.623 1.00 0.00 C ATOM 1311 C ILE A 87 84.057 -5.856 -0.479 1.00 0.00 C ATOM 1312 O ILE A 87 85.080 -5.241 -0.252 1.00 0.00 O ATOM 1313 CB ILE A 87 82.519 -5.643 1.496 1.00 0.00 C ATOM 1314 CG1 ILE A 87 83.462 -4.912 2.453 1.00 0.00 C ATOM 1315 CG2 ILE A 87 81.478 -6.420 2.300 1.00 0.00 C ATOM 1316 CD1 ILE A 87 83.265 -3.401 2.309 1.00 0.00 C ATOM 0 H ILE A 87 84.131 -7.119 2.531 1.00 0.00 H new ATOM 0 HA ILE A 87 82.667 -7.338 0.139 1.00 0.00 H new ATOM 0 HB ILE A 87 82.017 -4.915 0.859 1.00 0.00 H new ATOM 0 HG12 ILE A 87 83.265 -5.219 3.480 1.00 0.00 H new ATOM 0 HG13 ILE A 87 84.496 -5.177 2.234 1.00 0.00 H new ATOM 0 HG21 ILE A 87 80.909 -5.729 2.922 1.00 0.00 H new ATOM 0 HG22 ILE A 87 80.802 -6.936 1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 87 81.980 -7.150 2.935 1.00 0.00 H new ATOM 0 HD11 ILE A 87 83.937 -2.880 2.991 1.00 0.00 H new ATOM 0 HD12 ILE A 87 83.484 -3.102 1.284 1.00 0.00 H new ATOM 0 HD13 ILE A 87 82.233 -3.144 2.549 1.00 0.00 H new ATOM 1328 N LYS A 88 83.542 -5.902 -1.669 1.00 0.00 N ATOM 1329 CA LYS A 88 84.200 -5.194 -2.800 1.00 0.00 C ATOM 1330 C LYS A 88 83.284 -4.096 -3.331 1.00 0.00 C ATOM 1331 O LYS A 88 82.087 -4.126 -3.138 1.00 0.00 O ATOM 1332 CB LYS A 88 84.417 -6.268 -3.865 1.00 0.00 C ATOM 1333 CG LYS A 88 85.147 -5.661 -5.065 1.00 0.00 C ATOM 1334 CD LYS A 88 86.647 -5.598 -4.771 1.00 0.00 C ATOM 1335 CE LYS A 88 87.152 -4.172 -5.001 1.00 0.00 C ATOM 1336 NZ LYS A 88 86.823 -3.872 -6.423 1.00 0.00 N ATOM 0 H LYS A 88 82.687 -6.403 -1.912 1.00 0.00 H new ATOM 0 HA LYS A 88 85.135 -4.718 -2.504 1.00 0.00 H new ATOM 0 HB2 LYS A 88 84.998 -7.092 -3.452 1.00 0.00 H new ATOM 0 HB3 LYS A 88 83.459 -6.681 -4.180 1.00 0.00 H new ATOM 0 HG2 LYS A 88 84.965 -6.261 -5.956 1.00 0.00 H new ATOM 0 HG3 LYS A 88 84.763 -4.662 -5.270 1.00 0.00 H new ATOM 0 HD2 LYS A 88 86.840 -5.902 -3.742 1.00 0.00 H new ATOM 0 HD3 LYS A 88 87.184 -6.294 -5.415 1.00 0.00 H new ATOM 0 HE2 LYS A 88 86.666 -3.467 -4.326 1.00 0.00 H new ATOM 0 HE3 LYS A 88 88.224 -4.099 -4.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 87.568 -3.273 -6.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 86.759 -4.761 -6.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 85.912 -3.372 -6.471 1.00 0.00 H new ATOM 1350 N LEU A 89 83.835 -3.122 -3.989 1.00 0.00 N ATOM 1351 CA LEU A 89 83.003 -2.020 -4.525 1.00 0.00 C ATOM 1352 C LEU A 89 83.253 -1.852 -6.025 1.00 0.00 C ATOM 1353 O LEU A 89 84.110 -2.494 -6.597 1.00 0.00 O ATOM 1354 CB LEU A 89 83.465 -0.778 -3.765 1.00 0.00 C ATOM 1355 CG LEU A 89 84.982 -0.816 -3.558 1.00 0.00 C ATOM 1356 CD1 LEU A 89 85.530 0.612 -3.532 1.00 0.00 C ATOM 1357 CD2 LEU A 89 85.296 -1.505 -2.227 1.00 0.00 C ATOM 0 H LEU A 89 84.834 -3.042 -4.180 1.00 0.00 H new ATOM 0 HA LEU A 89 81.936 -2.206 -4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 89 83.189 0.119 -4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 89 82.961 -0.725 -2.800 1.00 0.00 H new ATOM 0 HG LEU A 89 85.447 -1.369 -4.375 1.00 0.00 H new ATOM 0 HD11 LEU A 89 86.610 0.585 -3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 89 85.305 1.105 -4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 89 85.066 1.165 -2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 89 86.375 -1.533 -2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 89 84.831 -0.951 -1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 89 84.905 -2.522 -2.243 1.00 0.00 H new ATOM 1369 N GLU A 90 82.513 -0.989 -6.662 1.00 0.00 N ATOM 1370 CA GLU A 90 82.710 -0.775 -8.125 1.00 0.00 C ATOM 1371 C GLU A 90 81.837 0.385 -8.611 1.00 0.00 C ATOM 1372 O GLU A 90 80.624 0.307 -8.603 1.00 0.00 O ATOM 1373 CB GLU A 90 82.280 -2.087 -8.783 1.00 0.00 C ATOM 1374 CG GLU A 90 80.979 -2.580 -8.148 1.00 0.00 C ATOM 1375 CD GLU A 90 81.230 -3.910 -7.433 1.00 0.00 C ATOM 1376 OE1 GLU A 90 81.844 -4.775 -8.036 1.00 0.00 O ATOM 1377 OE2 GLU A 90 80.805 -4.039 -6.298 1.00 0.00 O ATOM 0 H GLU A 90 81.780 -0.422 -6.235 1.00 0.00 H new ATOM 0 HA GLU A 90 83.741 -0.520 -8.369 1.00 0.00 H new ATOM 0 HB2 GLU A 90 82.140 -1.939 -9.854 1.00 0.00 H new ATOM 0 HB3 GLU A 90 83.061 -2.838 -8.664 1.00 0.00 H new ATOM 0 HG2 GLU A 90 80.604 -1.840 -7.441 1.00 0.00 H new ATOM 0 HG3 GLU A 90 80.213 -2.706 -8.914 1.00 0.00 H new