USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 524 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 GLN :FLIP amide:sc= -2.69! C(o=-4.7!,f=-3!) USER MOD Set 1.2: A 71 GLN :FLIP amide:sc= -0.359 F(o=-5.3!,f=-3) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.351 X(o=-0.35,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -30:sc= 1.04 USER MOD Single : A 31 LYS NZ :NH3+ -163:sc= -0.236 (180deg=-0.819) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 37 LYS NZ :NH3+ 174:sc= 0.217 (180deg=0.122) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 41 HIS : no HD1:sc= -0.376 K(o=-0.38,f=-4.6!) USER MOD Single : A 43 SER OG : rot -85:sc= 1.2 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -1.74 USER MOD Single : A 69 GLN : amide:sc= -0.738 K(o=-0.74,f=-4.8!) USER MOD Single : A 72 ASN : amide:sc= -0.749 K(o=-0.75,f=-5.5!) USER MOD Single : A 74 GLN :FLIP amide:sc= -1.77! F(o=-2.5,f=-1.8!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.0375 X(o=-0.037,f=0) USER MOD Single : A 79 ASN : amide:sc= -0.013 K(o=-0.013,f=-1.1) USER MOD Single : A 80 SER OG : rot 81:sc= 0.0947! USER MOD ----------------------------------------------------------------- ATOM 147 N ILE A 13 15.835 -2.339 -5.520 1.00 0.00 N ATOM 148 CA ILE A 13 14.364 -2.187 -5.349 1.00 0.00 C ATOM 149 C ILE A 13 13.817 -3.434 -4.649 1.00 0.00 C ATOM 150 O ILE A 13 14.302 -4.529 -4.860 1.00 0.00 O ATOM 151 CB ILE A 13 13.715 -2.044 -6.733 1.00 0.00 C ATOM 152 CG1 ILE A 13 14.469 -0.987 -7.549 1.00 0.00 C ATOM 153 CG2 ILE A 13 12.247 -1.625 -6.592 1.00 0.00 C ATOM 154 CD1 ILE A 13 14.596 0.313 -6.745 1.00 0.00 C ATOM 0 HA ILE A 13 14.141 -1.304 -4.750 1.00 0.00 H new ATOM 0 HB ILE A 13 13.763 -3.006 -7.243 1.00 0.00 H new ATOM 0 HG12 ILE A 13 15.459 -1.359 -7.812 1.00 0.00 H new ATOM 0 HG13 ILE A 13 13.942 -0.795 -8.484 1.00 0.00 H new ATOM 0 HG21 ILE A 13 11.800 -1.527 -7.581 1.00 0.00 H new ATOM 0 HG22 ILE A 13 11.706 -2.381 -6.022 1.00 0.00 H new ATOM 0 HG23 ILE A 13 12.190 -0.669 -6.072 1.00 0.00 H new ATOM 0 HD11 ILE A 13 15.133 1.055 -7.336 1.00 0.00 H new ATOM 0 HD12 ILE A 13 13.602 0.691 -6.505 1.00 0.00 H new ATOM 0 HD13 ILE A 13 15.143 0.118 -5.823 1.00 0.00 H new ATOM 166 N ILE A 14 12.829 -3.279 -3.802 1.00 0.00 N ATOM 167 CA ILE A 14 12.259 -4.447 -3.057 1.00 0.00 C ATOM 168 C ILE A 14 10.755 -4.530 -3.311 1.00 0.00 C ATOM 169 O ILE A 14 10.095 -3.524 -3.484 1.00 0.00 O ATOM 170 CB ILE A 14 12.509 -4.226 -1.563 1.00 0.00 C ATOM 171 CG1 ILE A 14 14.017 -4.135 -1.318 1.00 0.00 C ATOM 172 CG2 ILE A 14 11.933 -5.393 -0.756 1.00 0.00 C ATOM 173 CD1 ILE A 14 14.278 -3.710 0.127 1.00 0.00 C ATOM 0 H ILE A 14 12.388 -2.384 -3.592 1.00 0.00 H new ATOM 0 HA ILE A 14 12.728 -5.373 -3.390 1.00 0.00 H new ATOM 0 HB ILE A 14 12.023 -3.303 -1.248 1.00 0.00 H new ATOM 0 HG12 ILE A 14 14.486 -5.099 -1.514 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.464 -3.417 -2.005 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.116 -5.227 0.306 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.860 -5.463 -0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 14 12.413 -6.321 -1.066 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.352 -3.646 0.299 1.00 0.00 H new ATOM 0 HD12 ILE A 14 13.823 -2.736 0.308 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.845 -4.444 0.806 1.00 0.00 H new ATOM 185 N THR A 15 10.200 -5.717 -3.312 1.00 0.00 N ATOM 186 CA THR A 15 8.730 -5.882 -3.527 1.00 0.00 C ATOM 187 C THR A 15 8.165 -6.713 -2.375 1.00 0.00 C ATOM 188 O THR A 15 8.752 -7.689 -1.951 1.00 0.00 O ATOM 189 CB THR A 15 8.481 -6.614 -4.847 1.00 0.00 C ATOM 190 OG1 THR A 15 9.321 -6.070 -5.856 1.00 0.00 O ATOM 191 CG2 THR A 15 7.017 -6.452 -5.254 1.00 0.00 C ATOM 0 H THR A 15 10.710 -6.589 -3.171 1.00 0.00 H new ATOM 0 HA THR A 15 8.247 -4.906 -3.564 1.00 0.00 H new ATOM 0 HB THR A 15 8.705 -7.674 -4.723 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.163 -6.540 -6.701 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.841 -6.974 -6.195 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.375 -6.873 -4.480 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.789 -5.393 -5.378 1.00 0.00 H new ATOM 199 N THR A 16 7.029 -6.327 -1.868 1.00 0.00 N ATOM 200 CA THR A 16 6.398 -7.075 -0.738 1.00 0.00 C ATOM 201 C THR A 16 4.890 -7.153 -0.984 1.00 0.00 C ATOM 202 O THR A 16 4.310 -6.228 -1.517 1.00 0.00 O ATOM 203 CB THR A 16 6.676 -6.335 0.577 1.00 0.00 C ATOM 204 OG1 THR A 16 6.016 -7.000 1.644 1.00 0.00 O ATOM 205 CG2 THR A 16 6.170 -4.894 0.482 1.00 0.00 C ATOM 0 H THR A 16 6.502 -5.515 -2.190 1.00 0.00 H new ATOM 0 HA THR A 16 6.811 -8.082 -0.674 1.00 0.00 H new ATOM 0 HB THR A 16 7.750 -6.325 0.761 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.195 -6.528 2.484 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.371 -4.375 1.419 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.681 -4.382 -0.333 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.097 -4.897 0.292 1.00 0.00 H new ATOM 213 N GLN A 17 4.245 -8.243 -0.618 1.00 0.00 N ATOM 214 CA GLN A 17 2.762 -8.354 -0.861 1.00 0.00 C ATOM 215 C GLN A 17 2.003 -8.321 0.466 1.00 0.00 C ATOM 216 O GLN A 17 2.477 -8.795 1.480 1.00 0.00 O ATOM 217 CB GLN A 17 2.452 -9.661 -1.596 1.00 0.00 C ATOM 218 CG GLN A 17 3.026 -9.603 -3.012 1.00 0.00 C ATOM 219 CD GLN A 17 2.930 -10.987 -3.659 1.00 0.00 C ATOM 220 OE1 GLN A 17 3.808 -11.389 -4.395 1.00 0.00 O ATOM 221 NE2 GLN A 17 1.891 -11.738 -3.411 1.00 0.00 N ATOM 0 H GLN A 17 4.674 -9.051 -0.167 1.00 0.00 H new ATOM 0 HA GLN A 17 2.444 -7.509 -1.472 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.879 -10.505 -1.054 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.374 -9.821 -1.636 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.479 -8.873 -3.608 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.065 -9.275 -2.981 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.153 -11.400 -2.793 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.817 -12.662 -3.836 1.00 0.00 H new ATOM 230 N VAL A 18 0.820 -7.750 0.457 1.00 0.00 N ATOM 231 CA VAL A 18 -0.010 -7.652 1.699 1.00 0.00 C ATOM 232 C VAL A 18 -1.386 -8.266 1.424 1.00 0.00 C ATOM 233 O VAL A 18 -1.874 -8.245 0.310 1.00 0.00 O ATOM 234 CB VAL A 18 -0.190 -6.166 2.048 1.00 0.00 C ATOM 235 CG1 VAL A 18 -0.635 -6.017 3.505 1.00 0.00 C ATOM 236 CG2 VAL A 18 1.137 -5.433 1.845 1.00 0.00 C ATOM 0 H VAL A 18 0.389 -7.342 -0.373 1.00 0.00 H new ATOM 0 HA VAL A 18 0.475 -8.178 2.521 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.952 -5.737 1.398 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.759 -4.960 3.741 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.583 -6.535 3.651 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.120 -6.449 4.162 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.012 -4.379 2.092 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.897 -5.870 2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.449 -5.527 0.805 1.00 0.00 H new ATOM 246 N THR A 19 -2.016 -8.804 2.437 1.00 0.00 N ATOM 247 CA THR A 19 -3.374 -9.419 2.271 1.00 0.00 C ATOM 248 C THR A 19 -4.325 -8.753 3.273 1.00 0.00 C ATOM 249 O THR A 19 -4.024 -8.641 4.444 1.00 0.00 O ATOM 250 CB THR A 19 -3.286 -10.927 2.546 1.00 0.00 C ATOM 251 OG1 THR A 19 -2.102 -11.442 1.953 1.00 0.00 O ATOM 252 CG2 THR A 19 -4.505 -11.635 1.948 1.00 0.00 C ATOM 0 H THR A 19 -1.644 -8.845 3.386 1.00 0.00 H new ATOM 0 HA THR A 19 -3.743 -9.271 1.256 1.00 0.00 H new ATOM 0 HB THR A 19 -3.264 -11.099 3.622 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.041 -12.404 2.127 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.438 -12.705 2.146 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.414 -11.239 2.400 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.532 -11.466 0.872 1.00 0.00 H new ATOM 260 N ILE A 20 -5.466 -8.303 2.811 1.00 0.00 N ATOM 261 CA ILE A 20 -6.460 -7.623 3.713 1.00 0.00 C ATOM 262 C ILE A 20 -7.826 -8.327 3.557 1.00 0.00 C ATOM 263 O ILE A 20 -8.227 -8.616 2.447 1.00 0.00 O ATOM 264 CB ILE A 20 -6.606 -6.132 3.274 1.00 0.00 C ATOM 265 CG1 ILE A 20 -6.011 -5.926 1.867 1.00 0.00 C ATOM 266 CG2 ILE A 20 -5.870 -5.213 4.263 1.00 0.00 C ATOM 267 CD1 ILE A 20 -6.172 -4.466 1.419 1.00 0.00 C ATOM 0 H ILE A 20 -5.758 -8.377 1.837 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.125 -7.673 4.749 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.667 -5.884 3.261 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.955 -6.197 1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.507 -6.587 1.156 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.979 -4.176 3.946 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.296 -5.335 5.259 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.812 -5.476 4.286 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.746 -4.342 0.424 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -7.231 -4.207 1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.654 -3.811 2.120 1.00 0.00 H new ATOM 279 N PRO A 21 -8.565 -8.575 4.614 1.00 0.00 N ATOM 280 CA PRO A 21 -9.898 -9.211 4.445 1.00 0.00 C ATOM 281 C PRO A 21 -10.786 -8.357 3.526 1.00 0.00 C ATOM 282 O PRO A 21 -10.828 -7.149 3.648 1.00 0.00 O ATOM 283 CB PRO A 21 -10.444 -9.267 5.887 1.00 0.00 C ATOM 284 CG PRO A 21 -9.398 -8.640 6.835 1.00 0.00 C ATOM 285 CD PRO A 21 -8.154 -8.254 6.011 1.00 0.00 C ATOM 0 HA PRO A 21 -9.862 -10.195 3.977 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.388 -8.727 5.955 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.646 -10.299 6.175 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.813 -7.761 7.327 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.127 -9.347 7.620 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.905 -7.199 6.126 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.276 -8.824 6.315 1.00 0.00 H new ATOM 293 N LYS A 22 -11.462 -8.973 2.589 1.00 0.00 N ATOM 294 CA LYS A 22 -12.319 -8.213 1.637 1.00 0.00 C ATOM 295 C LYS A 22 -13.052 -7.067 2.347 1.00 0.00 C ATOM 296 O LYS A 22 -13.187 -5.984 1.811 1.00 0.00 O ATOM 297 CB LYS A 22 -13.336 -9.176 1.019 1.00 0.00 C ATOM 298 CG LYS A 22 -14.288 -8.399 0.112 1.00 0.00 C ATOM 299 CD LYS A 22 -15.128 -9.375 -0.734 1.00 0.00 C ATOM 300 CE LYS A 22 -14.375 -9.753 -2.016 1.00 0.00 C ATOM 301 NZ LYS A 22 -15.240 -10.626 -2.859 1.00 0.00 N ATOM 0 H LYS A 22 -11.454 -9.983 2.444 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.689 -7.777 0.861 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.821 -9.948 0.447 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.897 -9.682 1.804 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -14.944 -7.770 0.714 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.721 -7.735 -0.541 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.348 -10.272 -0.155 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -16.084 -8.917 -0.987 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.099 -8.854 -2.567 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.449 -10.271 -1.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.731 -10.883 -3.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.482 -11.489 -2.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -16.112 -10.116 -3.106 1.00 0.00 H new ATOM 315 N ASP A 23 -13.541 -7.294 3.534 1.00 0.00 N ATOM 316 CA ASP A 23 -14.277 -6.213 4.251 1.00 0.00 C ATOM 317 C ASP A 23 -13.356 -5.020 4.534 1.00 0.00 C ATOM 318 O ASP A 23 -13.742 -3.869 4.393 1.00 0.00 O ATOM 319 CB ASP A 23 -14.834 -6.757 5.568 1.00 0.00 C ATOM 320 CG ASP A 23 -15.572 -5.641 6.309 1.00 0.00 C ATOM 321 OD1 ASP A 23 -14.906 -4.793 6.879 1.00 0.00 O ATOM 322 OD2 ASP A 23 -16.792 -5.654 6.293 1.00 0.00 O ATOM 0 H ASP A 23 -13.464 -8.177 4.038 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.096 -5.874 3.617 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.511 -7.588 5.373 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.024 -7.144 6.186 1.00 0.00 H new ATOM 327 N LEU A 24 -12.131 -5.270 4.908 1.00 0.00 N ATOM 328 CA LEU A 24 -11.182 -4.160 5.184 1.00 0.00 C ATOM 329 C LEU A 24 -10.682 -3.603 3.856 1.00 0.00 C ATOM 330 O LEU A 24 -10.294 -2.457 3.754 1.00 0.00 O ATOM 331 CB LEU A 24 -9.980 -4.712 5.980 1.00 0.00 C ATOM 332 CG LEU A 24 -10.245 -4.691 7.494 1.00 0.00 C ATOM 333 CD1 LEU A 24 -10.229 -3.253 8.030 1.00 0.00 C ATOM 334 CD2 LEU A 24 -11.593 -5.349 7.803 1.00 0.00 C ATOM 0 H LEU A 24 -11.746 -6.206 5.035 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.678 -3.377 5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.770 -5.733 5.661 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.093 -4.120 5.757 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.452 -5.253 7.988 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.419 -3.263 9.103 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.255 -2.804 7.838 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.002 -2.670 7.530 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.770 -5.328 8.878 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.389 -4.805 7.294 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.581 -6.383 7.457 1.00 0.00 H new ATOM 346 N ALA A 25 -10.676 -4.416 2.840 1.00 0.00 N ATOM 347 CA ALA A 25 -10.188 -3.950 1.524 1.00 0.00 C ATOM 348 C ALA A 25 -11.028 -2.762 1.061 1.00 0.00 C ATOM 349 O ALA A 25 -10.536 -1.823 0.471 1.00 0.00 O ATOM 350 CB ALA A 25 -10.323 -5.085 0.513 1.00 0.00 C ATOM 0 H ALA A 25 -10.990 -5.386 2.868 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.144 -3.647 1.606 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.965 -4.750 -0.460 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.731 -5.939 0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.370 -5.379 0.433 1.00 0.00 H new ATOM 356 N ARG A 26 -12.310 -2.815 1.321 1.00 0.00 N ATOM 357 CA ARG A 26 -13.200 -1.706 0.888 1.00 0.00 C ATOM 358 C ARG A 26 -13.014 -0.524 1.831 1.00 0.00 C ATOM 359 O ARG A 26 -13.172 0.615 1.441 1.00 0.00 O ATOM 360 CB ARG A 26 -14.658 -2.167 0.883 1.00 0.00 C ATOM 361 CG ARG A 26 -14.809 -3.358 -0.065 1.00 0.00 C ATOM 362 CD ARG A 26 -16.265 -3.826 -0.073 1.00 0.00 C ATOM 363 NE ARG A 26 -17.119 -2.785 -0.711 1.00 0.00 N ATOM 364 CZ ARG A 26 -18.327 -3.083 -1.101 1.00 0.00 C ATOM 365 NH1 ARG A 26 -18.786 -4.293 -0.937 1.00 0.00 N ATOM 366 NH2 ARG A 26 -19.077 -2.171 -1.658 1.00 0.00 N ATOM 0 H ARG A 26 -12.774 -3.578 1.814 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.940 -1.402 -0.126 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.966 -2.448 1.890 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -15.308 -1.351 0.567 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.502 -3.075 -1.072 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.157 -4.172 0.251 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -16.353 -4.767 -0.617 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -16.603 -4.014 0.946 1.00 0.00 H new ATOM 0 HE ARG A 26 -16.759 -1.840 -0.843 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -18.200 -5.006 -0.504 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -19.731 -4.526 -1.242 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -18.718 -1.225 -1.788 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -20.022 -2.404 -1.963 1.00 0.00 H new ATOM 380 N SER A 27 -12.667 -0.767 3.066 1.00 0.00 N ATOM 381 CA SER A 27 -12.461 0.365 4.009 1.00 0.00 C ATOM 382 C SER A 27 -11.146 1.070 3.664 1.00 0.00 C ATOM 383 O SER A 27 -10.953 2.224 3.993 1.00 0.00 O ATOM 384 CB SER A 27 -12.392 -0.171 5.439 1.00 0.00 C ATOM 385 OG SER A 27 -11.202 -0.934 5.598 1.00 0.00 O ATOM 0 H SER A 27 -12.518 -1.696 3.460 1.00 0.00 H new ATOM 0 HA SER A 27 -13.289 1.069 3.927 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.406 0.655 6.150 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.265 -0.789 5.651 1.00 0.00 H new ATOM 0 HG SER A 27 -10.961 -1.346 4.742 1.00 0.00 H new ATOM 391 N ILE A 28 -10.218 0.381 3.040 1.00 0.00 N ATOM 392 CA ILE A 28 -8.899 1.009 2.719 1.00 0.00 C ATOM 393 C ILE A 28 -8.898 1.561 1.289 1.00 0.00 C ATOM 394 O ILE A 28 -8.394 2.635 1.029 1.00 0.00 O ATOM 395 CB ILE A 28 -7.818 -0.065 2.855 1.00 0.00 C ATOM 396 CG1 ILE A 28 -7.650 -0.439 4.337 1.00 0.00 C ATOM 397 CG2 ILE A 28 -6.490 0.458 2.304 1.00 0.00 C ATOM 398 CD1 ILE A 28 -6.982 -1.809 4.440 1.00 0.00 C ATOM 0 H ILE A 28 -10.319 -0.589 2.740 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.709 1.836 3.403 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.116 -0.947 2.288 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.046 0.312 4.847 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.621 -0.457 4.832 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.726 -0.313 2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.609 0.716 1.252 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.188 1.344 2.863 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.861 -2.077 5.490 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.603 -2.555 3.944 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.004 -1.774 3.960 1.00 0.00 H new ATOM 410 N ILE A 29 -9.436 0.823 0.362 1.00 0.00 N ATOM 411 CA ILE A 29 -9.434 1.307 -1.047 1.00 0.00 C ATOM 412 C ILE A 29 -10.376 2.505 -1.186 1.00 0.00 C ATOM 413 O ILE A 29 -10.111 3.415 -1.939 1.00 0.00 O ATOM 414 CB ILE A 29 -9.868 0.176 -1.991 1.00 0.00 C ATOM 415 CG1 ILE A 29 -8.914 -1.023 -1.839 1.00 0.00 C ATOM 416 CG2 ILE A 29 -9.824 0.674 -3.440 1.00 0.00 C ATOM 417 CD1 ILE A 29 -9.575 -2.279 -2.413 1.00 0.00 C ATOM 0 H ILE A 29 -9.873 -0.086 0.514 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.425 1.619 -1.316 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.883 -0.132 -1.738 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.977 -0.823 -2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.670 -1.176 -0.788 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.132 -0.129 -4.110 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.500 1.521 -3.554 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.809 0.984 -3.688 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -8.899 -3.127 -2.305 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.501 -2.482 -1.874 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.796 -2.123 -3.469 1.00 0.00 H new ATOM 429 N GLY A 30 -11.478 2.529 -0.487 1.00 0.00 N ATOM 430 CA GLY A 30 -12.416 3.682 -0.626 1.00 0.00 C ATOM 431 C GLY A 30 -13.404 3.374 -1.753 1.00 0.00 C ATOM 432 O GLY A 30 -13.438 2.276 -2.272 1.00 0.00 O ATOM 0 H GLY A 30 -11.769 1.806 0.171 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.950 3.851 0.309 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.863 4.595 -0.847 1.00 0.00 H new ATOM 436 N LYS A 31 -14.211 4.327 -2.140 1.00 0.00 N ATOM 437 CA LYS A 31 -15.195 4.075 -3.237 1.00 0.00 C ATOM 438 C LYS A 31 -14.580 4.453 -4.588 1.00 0.00 C ATOM 439 O LYS A 31 -15.096 4.107 -5.631 1.00 0.00 O ATOM 440 CB LYS A 31 -16.447 4.918 -2.999 1.00 0.00 C ATOM 441 CG LYS A 31 -17.576 4.425 -3.911 1.00 0.00 C ATOM 442 CD LYS A 31 -18.877 5.174 -3.586 1.00 0.00 C ATOM 443 CE LYS A 31 -20.029 4.596 -4.418 1.00 0.00 C ATOM 444 NZ LYS A 31 -19.528 4.209 -5.767 1.00 0.00 N ATOM 0 H LYS A 31 -14.232 5.267 -1.746 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.458 3.017 -3.245 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -16.752 4.849 -1.955 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -16.235 5.968 -3.200 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.307 4.583 -4.955 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -17.721 3.353 -3.778 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -19.103 5.085 -2.523 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -18.759 6.236 -3.799 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -20.454 3.728 -3.914 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -20.827 5.332 -4.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -20.332 4.093 -6.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -18.895 4.951 -6.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -19.006 3.312 -5.699 1.00 0.00 H new ATOM 458 N GLY A 32 -13.485 5.169 -4.577 1.00 0.00 N ATOM 459 CA GLY A 32 -12.834 5.584 -5.862 1.00 0.00 C ATOM 460 C GLY A 32 -11.317 5.449 -5.734 1.00 0.00 C ATOM 461 O GLY A 32 -10.575 6.038 -6.495 1.00 0.00 O ATOM 0 H GLY A 32 -13.010 5.486 -3.732 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.197 4.964 -6.682 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.099 6.614 -6.100 1.00 0.00 H new ATOM 465 N GLY A 33 -10.838 4.699 -4.783 1.00 0.00 N ATOM 466 CA GLY A 33 -9.362 4.568 -4.635 1.00 0.00 C ATOM 467 C GLY A 33 -8.811 5.865 -4.040 1.00 0.00 C ATOM 468 O GLY A 33 -7.650 5.947 -3.692 1.00 0.00 O ATOM 0 H GLY A 33 -11.396 4.176 -4.108 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.121 3.724 -3.989 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.901 4.371 -5.603 1.00 0.00 H new ATOM 472 N GLN A 34 -9.630 6.890 -3.965 1.00 0.00 N ATOM 473 CA GLN A 34 -9.173 8.219 -3.438 1.00 0.00 C ATOM 474 C GLN A 34 -8.163 8.031 -2.293 1.00 0.00 C ATOM 475 O GLN A 34 -7.329 8.883 -2.053 1.00 0.00 O ATOM 476 CB GLN A 34 -10.399 8.973 -2.887 1.00 0.00 C ATOM 477 CG GLN A 34 -11.220 9.565 -4.041 1.00 0.00 C ATOM 478 CD GLN A 34 -12.428 10.314 -3.474 1.00 0.00 C ATOM 479 OE1 GLN A 34 -12.390 10.794 -2.360 1.00 0.00 O ATOM 480 NE2 GLN A 34 -13.505 10.435 -4.201 1.00 0.00 N ATOM 0 H GLN A 34 -10.609 6.862 -4.250 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.697 8.776 -4.245 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.019 8.295 -2.301 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.075 9.769 -2.216 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.603 10.242 -4.631 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.552 8.771 -4.710 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -13.536 10.031 -5.137 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -14.315 10.933 -3.833 1.00 0.00 H new ATOM 489 N ARG A 35 -8.237 6.945 -1.569 1.00 0.00 N ATOM 490 CA ARG A 35 -7.283 6.750 -0.431 1.00 0.00 C ATOM 491 C ARG A 35 -5.982 6.129 -0.941 1.00 0.00 C ATOM 492 O ARG A 35 -4.909 6.456 -0.474 1.00 0.00 O ATOM 493 CB ARG A 35 -7.910 5.821 0.623 1.00 0.00 C ATOM 494 CG ARG A 35 -7.117 5.918 1.941 1.00 0.00 C ATOM 495 CD ARG A 35 -7.560 7.156 2.755 1.00 0.00 C ATOM 496 NE ARG A 35 -6.358 7.854 3.316 1.00 0.00 N ATOM 497 CZ ARG A 35 -5.411 7.191 3.930 1.00 0.00 C ATOM 498 NH1 ARG A 35 -5.548 5.918 4.178 1.00 0.00 N ATOM 499 NH2 ARG A 35 -4.338 7.817 4.331 1.00 0.00 N ATOM 0 H ARG A 35 -8.908 6.190 -1.712 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.070 7.720 0.019 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.950 6.098 0.793 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.909 4.793 0.262 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.271 5.014 2.531 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.050 5.981 1.726 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.123 7.838 2.118 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.225 6.852 3.563 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.276 8.866 3.217 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.398 5.431 3.893 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.805 5.409 4.657 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.240 8.819 4.165 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.597 7.304 4.810 1.00 0.00 H new ATOM 513 N ILE A 36 -6.053 5.251 -1.905 1.00 0.00 N ATOM 514 CA ILE A 36 -4.800 4.643 -2.434 1.00 0.00 C ATOM 515 C ILE A 36 -4.065 5.697 -3.283 1.00 0.00 C ATOM 516 O ILE A 36 -2.862 5.642 -3.450 1.00 0.00 O ATOM 517 CB ILE A 36 -5.142 3.368 -3.246 1.00 0.00 C ATOM 518 CG1 ILE A 36 -5.058 2.125 -2.331 1.00 0.00 C ATOM 519 CG2 ILE A 36 -4.193 3.194 -4.443 1.00 0.00 C ATOM 520 CD1 ILE A 36 -3.600 1.663 -2.158 1.00 0.00 C ATOM 0 H ILE A 36 -6.916 4.931 -2.345 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.140 4.339 -1.621 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.157 3.476 -3.630 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.487 2.357 -1.356 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.651 1.316 -2.756 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.460 2.291 -4.991 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.278 4.057 -5.103 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.167 3.111 -4.085 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.570 0.787 -1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.181 1.408 -3.132 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.015 2.466 -1.710 1.00 0.00 H new ATOM 532 N LYS A 37 -4.776 6.659 -3.808 1.00 0.00 N ATOM 533 CA LYS A 37 -4.115 7.711 -4.628 1.00 0.00 C ATOM 534 C LYS A 37 -3.325 8.642 -3.705 1.00 0.00 C ATOM 535 O LYS A 37 -2.179 8.955 -3.960 1.00 0.00 O ATOM 536 CB LYS A 37 -5.177 8.516 -5.379 1.00 0.00 C ATOM 537 CG LYS A 37 -5.915 7.602 -6.359 1.00 0.00 C ATOM 538 CD LYS A 37 -6.904 8.429 -7.183 1.00 0.00 C ATOM 539 CE LYS A 37 -7.550 7.541 -8.249 1.00 0.00 C ATOM 540 NZ LYS A 37 -8.173 6.355 -7.596 1.00 0.00 N ATOM 0 H LYS A 37 -5.786 6.760 -3.704 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.440 7.247 -5.347 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.882 8.954 -4.673 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.710 9.341 -5.917 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.202 7.106 -7.018 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.444 6.819 -5.815 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.671 8.851 -6.533 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.389 9.266 -7.655 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.304 8.104 -8.799 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.801 7.220 -8.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.699 5.805 -8.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.431 5.760 -7.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.825 6.672 -6.851 1.00 0.00 H new ATOM 554 N GLN A 38 -3.926 9.096 -2.637 1.00 0.00 N ATOM 555 CA GLN A 38 -3.199 10.013 -1.712 1.00 0.00 C ATOM 556 C GLN A 38 -1.926 9.333 -1.199 1.00 0.00 C ATOM 557 O GLN A 38 -0.850 9.896 -1.247 1.00 0.00 O ATOM 558 CB GLN A 38 -4.102 10.363 -0.528 1.00 0.00 C ATOM 559 CG GLN A 38 -5.247 11.257 -1.008 1.00 0.00 C ATOM 560 CD GLN A 38 -6.167 11.588 0.169 1.00 0.00 C ATOM 561 OE1 GLN A 38 -5.726 11.657 1.299 1.00 0.00 O ATOM 562 NE2 GLN A 38 -7.436 11.796 -0.050 1.00 0.00 N ATOM 0 H GLN A 38 -4.884 8.873 -2.366 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.929 10.923 -2.248 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.500 9.453 -0.079 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.526 10.874 0.244 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.849 12.175 -1.441 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.811 10.753 -1.793 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.806 11.738 -0.999 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.058 12.017 0.728 1.00 0.00 H new ATOM 571 N ILE A 39 -2.037 8.130 -0.707 1.00 0.00 N ATOM 572 CA ILE A 39 -0.832 7.419 -0.190 1.00 0.00 C ATOM 573 C ILE A 39 0.213 7.294 -1.302 1.00 0.00 C ATOM 574 O ILE A 39 1.402 7.294 -1.053 1.00 0.00 O ATOM 575 CB ILE A 39 -1.235 6.022 0.286 1.00 0.00 C ATOM 576 CG1 ILE A 39 -2.275 6.144 1.401 1.00 0.00 C ATOM 577 CG2 ILE A 39 -0.004 5.286 0.818 1.00 0.00 C ATOM 578 CD1 ILE A 39 -2.886 4.770 1.683 1.00 0.00 C ATOM 0 H ILE A 39 -2.910 7.608 -0.640 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.408 7.984 0.640 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.658 5.464 -0.549 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.810 6.539 2.304 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.055 6.848 1.110 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.293 4.291 1.157 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.738 5.198 0.025 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.421 5.844 1.652 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.627 4.857 2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.365 4.393 0.780 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.102 4.080 1.993 1.00 0.00 H new ATOM 590 N ARG A 40 -0.222 7.181 -2.526 1.00 0.00 N ATOM 591 CA ARG A 40 0.746 7.046 -3.656 1.00 0.00 C ATOM 592 C ARG A 40 1.645 8.283 -3.732 1.00 0.00 C ATOM 593 O ARG A 40 2.843 8.202 -3.545 1.00 0.00 O ATOM 594 CB ARG A 40 -0.023 6.902 -4.975 1.00 0.00 C ATOM 595 CG ARG A 40 0.934 6.444 -6.081 1.00 0.00 C ATOM 596 CD ARG A 40 0.139 6.109 -7.348 1.00 0.00 C ATOM 597 NE ARG A 40 1.048 5.491 -8.354 1.00 0.00 N ATOM 598 CZ ARG A 40 0.552 4.865 -9.385 1.00 0.00 C ATOM 599 NH1 ARG A 40 -0.742 4.779 -9.536 1.00 0.00 N ATOM 600 NH2 ARG A 40 1.349 4.324 -10.265 1.00 0.00 N ATOM 0 H ARG A 40 -1.206 7.176 -2.795 1.00 0.00 H new ATOM 0 HA ARG A 40 1.363 6.163 -3.488 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.832 6.181 -4.859 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.480 7.853 -5.247 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.661 7.228 -6.293 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.495 5.570 -5.751 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.676 5.425 -7.109 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.313 7.013 -7.757 1.00 0.00 H new ATOM 0 HE ARG A 40 2.059 5.558 -8.236 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.365 5.201 -8.848 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.130 4.289 -10.342 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.360 4.391 -10.147 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.961 3.834 -11.071 1.00 0.00 H new ATOM 614 N HIS A 41 1.082 9.423 -4.023 1.00 0.00 N ATOM 615 CA HIS A 41 1.907 10.660 -4.133 1.00 0.00 C ATOM 616 C HIS A 41 2.520 11.013 -2.775 1.00 0.00 C ATOM 617 O HIS A 41 3.637 11.487 -2.694 1.00 0.00 O ATOM 618 CB HIS A 41 1.025 11.817 -4.606 1.00 0.00 C ATOM 619 CG HIS A 41 0.445 11.487 -5.954 1.00 0.00 C ATOM 620 ND1 HIS A 41 -0.403 10.407 -6.150 1.00 0.00 N ATOM 621 CD2 HIS A 41 0.579 12.086 -7.182 1.00 0.00 C ATOM 622 CE1 HIS A 41 -0.742 10.390 -7.452 1.00 0.00 C ATOM 623 NE2 HIS A 41 -0.172 11.391 -8.127 1.00 0.00 N ATOM 0 H HIS A 41 0.084 9.552 -4.190 1.00 0.00 H new ATOM 0 HA HIS A 41 2.710 10.487 -4.850 1.00 0.00 H new ATOM 0 HB2 HIS A 41 0.225 11.995 -3.888 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.611 12.734 -4.665 1.00 0.00 H new ATOM 0 HD2 HIS A 41 1.176 12.963 -7.385 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -1.396 9.655 -7.897 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -0.266 11.601 -9.121 1.00 0.00 H new ATOM 631 N GLU A 42 1.801 10.797 -1.707 1.00 0.00 N ATOM 632 CA GLU A 42 2.349 11.135 -0.362 1.00 0.00 C ATOM 633 C GLU A 42 3.554 10.247 -0.044 1.00 0.00 C ATOM 634 O GLU A 42 4.550 10.706 0.478 1.00 0.00 O ATOM 635 CB GLU A 42 1.267 10.934 0.700 1.00 0.00 C ATOM 636 CG GLU A 42 1.728 11.551 2.022 1.00 0.00 C ATOM 637 CD GLU A 42 1.715 13.076 1.905 1.00 0.00 C ATOM 638 OE1 GLU A 42 0.650 13.653 2.052 1.00 0.00 O ATOM 639 OE2 GLU A 42 2.771 13.641 1.670 1.00 0.00 O ATOM 0 H GLU A 42 0.860 10.402 -1.707 1.00 0.00 H new ATOM 0 HA GLU A 42 2.668 12.177 -0.362 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.335 11.396 0.376 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.066 9.871 0.833 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.073 11.232 2.832 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.731 11.203 2.268 1.00 0.00 H new ATOM 646 N SER A 43 3.471 8.977 -0.336 1.00 0.00 N ATOM 647 CA SER A 43 4.613 8.065 -0.027 1.00 0.00 C ATOM 648 C SER A 43 5.617 8.059 -1.182 1.00 0.00 C ATOM 649 O SER A 43 6.771 7.720 -1.008 1.00 0.00 O ATOM 650 CB SER A 43 4.084 6.648 0.192 1.00 0.00 C ATOM 651 OG SER A 43 3.838 6.038 -1.068 1.00 0.00 O ATOM 0 H SER A 43 2.665 8.531 -0.774 1.00 0.00 H new ATOM 0 HA SER A 43 5.114 8.418 0.874 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.807 6.061 0.758 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.167 6.677 0.780 1.00 0.00 H new ATOM 0 HG SER A 43 2.945 6.288 -1.384 1.00 0.00 H new ATOM 657 N GLY A 44 5.188 8.405 -2.364 1.00 0.00 N ATOM 658 CA GLY A 44 6.126 8.386 -3.523 1.00 0.00 C ATOM 659 C GLY A 44 6.308 6.934 -3.957 1.00 0.00 C ATOM 660 O GLY A 44 7.044 6.626 -4.874 1.00 0.00 O ATOM 0 H GLY A 44 4.235 8.698 -2.578 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.729 8.983 -4.344 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.085 8.824 -3.245 1.00 0.00 H new ATOM 664 N ALA A 45 5.637 6.040 -3.286 1.00 0.00 N ATOM 665 CA ALA A 45 5.746 4.593 -3.618 1.00 0.00 C ATOM 666 C ALA A 45 4.786 4.242 -4.752 1.00 0.00 C ATOM 667 O ALA A 45 3.818 4.930 -5.007 1.00 0.00 O ATOM 668 CB ALA A 45 5.380 3.769 -2.384 1.00 0.00 C ATOM 0 H ALA A 45 5.009 6.254 -2.511 1.00 0.00 H new ATOM 0 HA ALA A 45 6.767 4.373 -3.930 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.457 2.708 -2.619 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.063 4.011 -1.569 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.358 4.000 -2.082 1.00 0.00 H new ATOM 674 N SER A 46 5.033 3.130 -5.391 1.00 0.00 N ATOM 675 CA SER A 46 4.133 2.645 -6.477 1.00 0.00 C ATOM 676 C SER A 46 3.402 1.425 -5.921 1.00 0.00 C ATOM 677 O SER A 46 3.996 0.613 -5.240 1.00 0.00 O ATOM 678 CB SER A 46 4.963 2.240 -7.696 1.00 0.00 C ATOM 679 OG SER A 46 5.682 3.371 -8.171 1.00 0.00 O ATOM 0 H SER A 46 5.834 2.527 -5.203 1.00 0.00 H new ATOM 0 HA SER A 46 3.432 3.420 -6.787 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.654 1.440 -7.430 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.313 1.852 -8.480 1.00 0.00 H new ATOM 0 HG SER A 46 6.217 3.115 -8.951 1.00 0.00 H new ATOM 685 N ILE A 47 2.123 1.285 -6.170 1.00 0.00 N ATOM 686 CA ILE A 47 1.368 0.116 -5.618 1.00 0.00 C ATOM 687 C ILE A 47 0.453 -0.466 -6.693 1.00 0.00 C ATOM 688 O ILE A 47 -0.193 0.253 -7.430 1.00 0.00 O ATOM 689 CB ILE A 47 0.523 0.581 -4.420 1.00 0.00 C ATOM 690 CG1 ILE A 47 1.455 1.010 -3.280 1.00 0.00 C ATOM 691 CG2 ILE A 47 -0.378 -0.563 -3.935 1.00 0.00 C ATOM 692 CD1 ILE A 47 0.642 1.673 -2.166 1.00 0.00 C ATOM 0 H ILE A 47 1.568 1.930 -6.732 1.00 0.00 H new ATOM 0 HA ILE A 47 2.072 -0.651 -5.297 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.100 1.421 -4.727 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.987 0.143 -2.888 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.208 1.703 -3.655 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.972 -0.224 -3.087 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.042 -0.871 -4.743 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.239 -1.408 -3.631 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.309 1.976 -1.359 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.130 2.550 -2.562 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.094 0.966 -1.782 1.00 0.00 H new ATOM 704 N LYS A 48 0.393 -1.767 -6.783 1.00 0.00 N ATOM 705 CA LYS A 48 -0.469 -2.445 -7.796 1.00 0.00 C ATOM 706 C LYS A 48 -1.425 -3.379 -7.056 1.00 0.00 C ATOM 707 O LYS A 48 -1.006 -4.181 -6.245 1.00 0.00 O ATOM 708 CB LYS A 48 0.428 -3.267 -8.731 1.00 0.00 C ATOM 709 CG LYS A 48 -0.400 -3.863 -9.873 1.00 0.00 C ATOM 710 CD LYS A 48 0.421 -4.933 -10.600 1.00 0.00 C ATOM 711 CE LYS A 48 1.772 -4.353 -11.026 1.00 0.00 C ATOM 712 NZ LYS A 48 2.369 -5.214 -12.087 1.00 0.00 N ATOM 0 H LYS A 48 0.917 -2.404 -6.183 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.033 -1.716 -8.378 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.218 -2.635 -9.137 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.915 -4.065 -8.170 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.318 -4.300 -9.480 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.693 -3.079 -10.571 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.574 -5.792 -9.947 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.123 -5.290 -11.474 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.643 -3.336 -11.397 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.442 -4.296 -10.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.287 -4.821 -12.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.506 -6.176 -11.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.731 -5.246 -12.908 1.00 0.00 H new ATOM 726 N ILE A 49 -2.704 -3.286 -7.313 1.00 0.00 N ATOM 727 CA ILE A 49 -3.689 -4.165 -6.615 1.00 0.00 C ATOM 728 C ILE A 49 -4.058 -5.320 -7.549 1.00 0.00 C ATOM 729 O ILE A 49 -4.297 -5.124 -8.725 1.00 0.00 O ATOM 730 CB ILE A 49 -4.932 -3.332 -6.275 1.00 0.00 C ATOM 731 CG1 ILE A 49 -4.506 -2.115 -5.445 1.00 0.00 C ATOM 732 CG2 ILE A 49 -5.922 -4.174 -5.467 1.00 0.00 C ATOM 733 CD1 ILE A 49 -5.673 -1.137 -5.320 1.00 0.00 C ATOM 0 H ILE A 49 -3.111 -2.633 -7.982 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.268 -4.570 -5.695 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.412 -3.006 -7.198 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.181 -2.435 -4.455 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.656 -1.622 -5.916 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.801 -3.575 -5.230 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.222 -5.043 -6.052 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.449 -4.505 -4.543 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.364 -0.275 -4.729 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.978 -0.806 -6.313 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.511 -1.631 -4.829 1.00 0.00 H new ATOM 745 N ASP A 50 -4.109 -6.525 -7.042 1.00 0.00 N ATOM 746 CA ASP A 50 -4.465 -7.695 -7.903 1.00 0.00 C ATOM 747 C ASP A 50 -5.960 -7.977 -7.763 1.00 0.00 C ATOM 748 O ASP A 50 -6.552 -7.714 -6.735 1.00 0.00 O ATOM 749 CB ASP A 50 -3.674 -8.922 -7.442 1.00 0.00 C ATOM 750 CG ASP A 50 -3.933 -10.086 -8.399 1.00 0.00 C ATOM 751 OD1 ASP A 50 -4.910 -10.788 -8.197 1.00 0.00 O ATOM 752 OD2 ASP A 50 -3.151 -10.255 -9.320 1.00 0.00 O ATOM 0 H ASP A 50 -3.919 -6.751 -6.066 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.225 -7.476 -8.943 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.609 -8.691 -7.413 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.968 -9.198 -6.429 1.00 0.00 H new ATOM 757 N GLU A 51 -6.579 -8.525 -8.773 1.00 0.00 N ATOM 758 CA GLU A 51 -8.031 -8.836 -8.674 1.00 0.00 C ATOM 759 C GLU A 51 -8.220 -9.932 -7.611 1.00 0.00 C ATOM 760 O GLU A 51 -7.309 -10.690 -7.346 1.00 0.00 O ATOM 761 CB GLU A 51 -8.515 -9.344 -10.046 1.00 0.00 C ATOM 762 CG GLU A 51 -8.894 -8.159 -10.939 1.00 0.00 C ATOM 763 CD GLU A 51 -9.231 -8.666 -12.342 1.00 0.00 C ATOM 764 OE1 GLU A 51 -9.949 -9.646 -12.440 1.00 0.00 O ATOM 765 OE2 GLU A 51 -8.764 -8.064 -13.297 1.00 0.00 O ATOM 0 H GLU A 51 -6.141 -8.770 -9.661 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.603 -7.952 -8.392 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.731 -9.933 -10.522 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.374 -10.002 -9.917 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.748 -7.630 -10.517 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.070 -7.447 -10.986 1.00 0.00 H new ATOM 772 N PRO A 52 -9.381 -10.030 -7.001 1.00 0.00 N ATOM 773 CA PRO A 52 -9.609 -11.079 -5.965 1.00 0.00 C ATOM 774 C PRO A 52 -9.544 -12.495 -6.558 1.00 0.00 C ATOM 775 O PRO A 52 -9.979 -12.735 -7.667 1.00 0.00 O ATOM 776 CB PRO A 52 -11.029 -10.743 -5.468 1.00 0.00 C ATOM 777 CG PRO A 52 -11.672 -9.798 -6.496 1.00 0.00 C ATOM 778 CD PRO A 52 -10.537 -9.127 -7.284 1.00 0.00 C ATOM 0 HA PRO A 52 -8.855 -11.079 -5.178 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.622 -11.651 -5.360 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.989 -10.270 -4.487 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.329 -10.352 -7.167 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.286 -9.049 -5.996 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.759 -9.071 -8.350 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.351 -8.108 -6.943 1.00 0.00 H new ATOM 853 N ASP A 58 -10.633 -12.362 0.139 1.00 0.00 N ATOM 854 CA ASP A 58 -9.486 -11.491 0.556 1.00 0.00 C ATOM 855 C ASP A 58 -8.968 -10.708 -0.653 1.00 0.00 C ATOM 856 O ASP A 58 -9.094 -11.129 -1.785 1.00 0.00 O ATOM 857 CB ASP A 58 -8.361 -12.369 1.108 1.00 0.00 C ATOM 858 CG ASP A 58 -8.861 -13.123 2.341 1.00 0.00 C ATOM 859 OD1 ASP A 58 -9.409 -14.201 2.170 1.00 0.00 O ATOM 860 OD2 ASP A 58 -8.690 -12.611 3.436 1.00 0.00 O ATOM 0 HA ASP A 58 -9.821 -10.793 1.323 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.029 -13.075 0.347 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.500 -11.754 1.369 1.00 0.00 H new ATOM 865 N ARG A 59 -8.363 -9.572 -0.402 1.00 0.00 N ATOM 866 CA ARG A 59 -7.792 -8.728 -1.498 1.00 0.00 C ATOM 867 C ARG A 59 -6.290 -8.602 -1.246 1.00 0.00 C ATOM 868 O ARG A 59 -5.864 -8.434 -0.121 1.00 0.00 O ATOM 869 CB ARG A 59 -8.448 -7.343 -1.453 1.00 0.00 C ATOM 870 CG ARG A 59 -9.884 -7.424 -2.016 1.00 0.00 C ATOM 871 CD ARG A 59 -9.877 -7.203 -3.533 1.00 0.00 C ATOM 872 NE ARG A 59 -9.577 -5.773 -3.823 1.00 0.00 N ATOM 873 CZ ARG A 59 -9.223 -5.409 -5.025 1.00 0.00 C ATOM 874 NH1 ARG A 59 -9.091 -6.303 -5.963 1.00 0.00 N ATOM 875 NH2 ARG A 59 -8.992 -4.151 -5.284 1.00 0.00 N ATOM 0 H ARG A 59 -8.239 -9.187 0.535 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.975 -9.173 -2.476 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.470 -6.975 -0.427 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.860 -6.633 -2.034 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -10.317 -8.397 -1.786 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.512 -6.674 -1.536 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.131 -7.845 -4.002 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.844 -7.476 -3.956 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.648 -5.077 -3.081 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.264 -7.287 -5.758 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.814 -6.019 -6.903 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.088 -3.453 -4.547 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.715 -3.866 -6.224 1.00 0.00 H new ATOM 889 N ILE A 60 -5.480 -8.713 -2.272 1.00 0.00 N ATOM 890 CA ILE A 60 -3.995 -8.633 -2.078 1.00 0.00 C ATOM 891 C ILE A 60 -3.431 -7.338 -2.673 1.00 0.00 C ATOM 892 O ILE A 60 -3.987 -6.757 -3.584 1.00 0.00 O ATOM 893 CB ILE A 60 -3.357 -9.849 -2.749 1.00 0.00 C ATOM 894 CG1 ILE A 60 -3.733 -11.097 -1.941 1.00 0.00 C ATOM 895 CG2 ILE A 60 -1.833 -9.698 -2.771 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.450 -12.344 -2.765 1.00 0.00 C ATOM 0 H ILE A 60 -5.782 -8.856 -3.236 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.767 -8.629 -1.012 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.715 -9.936 -3.775 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.164 -11.126 -1.012 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.788 -11.061 -1.668 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.388 -10.570 -3.251 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.564 -8.800 -3.328 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.461 -9.617 -1.750 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.718 -13.230 -2.189 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.039 -12.316 -3.682 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.390 -12.382 -3.016 1.00 0.00 H new ATOM 908 N ILE A 61 -2.323 -6.888 -2.144 1.00 0.00 N ATOM 909 CA ILE A 61 -1.698 -5.627 -2.651 1.00 0.00 C ATOM 910 C ILE A 61 -0.183 -5.794 -2.754 1.00 0.00 C ATOM 911 O ILE A 61 0.437 -6.419 -1.919 1.00 0.00 O ATOM 912 CB ILE A 61 -2.008 -4.481 -1.679 1.00 0.00 C ATOM 913 CG1 ILE A 61 -3.515 -4.210 -1.702 1.00 0.00 C ATOM 914 CG2 ILE A 61 -1.242 -3.217 -2.111 1.00 0.00 C ATOM 915 CD1 ILE A 61 -3.855 -3.095 -0.714 1.00 0.00 C ATOM 0 H ILE A 61 -1.821 -7.340 -1.380 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.103 -5.403 -3.638 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.699 -4.754 -0.670 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.827 -3.926 -2.707 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.061 -5.117 -1.443 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.463 -2.404 -1.420 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.171 -3.420 -2.102 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.549 -2.932 -3.117 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.928 -2.906 -0.734 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.558 -3.396 0.291 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.321 -2.186 -0.993 1.00 0.00 H new ATOM 927 N THR A 62 0.415 -5.234 -3.779 1.00 0.00 N ATOM 928 CA THR A 62 1.898 -5.346 -3.962 1.00 0.00 C ATOM 929 C THR A 62 2.528 -3.954 -3.861 1.00 0.00 C ATOM 930 O THR A 62 2.161 -3.043 -4.575 1.00 0.00 O ATOM 931 CB THR A 62 2.190 -5.946 -5.342 1.00 0.00 C ATOM 932 OG1 THR A 62 1.538 -7.203 -5.455 1.00 0.00 O ATOM 933 CG2 THR A 62 3.696 -6.138 -5.508 1.00 0.00 C ATOM 0 H THR A 62 -0.065 -4.699 -4.503 1.00 0.00 H new ATOM 0 HA THR A 62 2.319 -5.989 -3.189 1.00 0.00 H new ATOM 0 HB THR A 62 1.824 -5.272 -6.117 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.721 -7.589 -6.337 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.902 -6.565 -6.490 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.198 -5.174 -5.418 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.064 -6.812 -4.735 1.00 0.00 H new ATOM 941 N ILE A 63 3.474 -3.781 -2.968 1.00 0.00 N ATOM 942 CA ILE A 63 4.141 -2.453 -2.794 1.00 0.00 C ATOM 943 C ILE A 63 5.533 -2.493 -3.431 1.00 0.00 C ATOM 944 O ILE A 63 6.288 -3.413 -3.187 1.00 0.00 O ATOM 945 CB ILE A 63 4.303 -2.178 -1.296 1.00 0.00 C ATOM 946 CG1 ILE A 63 2.957 -2.403 -0.596 1.00 0.00 C ATOM 947 CG2 ILE A 63 4.768 -0.730 -1.087 1.00 0.00 C ATOM 948 CD1 ILE A 63 3.045 -1.941 0.861 1.00 0.00 C ATOM 0 H ILE A 63 3.815 -4.513 -2.345 1.00 0.00 H new ATOM 0 HA ILE A 63 3.539 -1.676 -3.266 1.00 0.00 H new ATOM 0 HB ILE A 63 5.048 -2.853 -0.874 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.171 -1.853 -1.114 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.688 -3.458 -0.637 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.883 -0.535 -0.021 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.724 -0.579 -1.589 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.028 -0.047 -1.503 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.086 -2.103 1.353 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.818 -2.510 1.377 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.294 -0.880 0.892 1.00 0.00 H new ATOM 960 N THR A 64 5.893 -1.513 -4.224 1.00 0.00 N ATOM 961 CA THR A 64 7.263 -1.516 -4.848 1.00 0.00 C ATOM 962 C THR A 64 7.930 -0.163 -4.598 1.00 0.00 C ATOM 963 O THR A 64 7.340 0.876 -4.823 1.00 0.00 O ATOM 964 CB THR A 64 7.144 -1.760 -6.354 1.00 0.00 C ATOM 965 OG1 THR A 64 6.308 -2.885 -6.585 1.00 0.00 O ATOM 966 CG2 THR A 64 8.531 -2.024 -6.940 1.00 0.00 C ATOM 0 H THR A 64 5.306 -0.715 -4.468 1.00 0.00 H new ATOM 0 HA THR A 64 7.865 -2.310 -4.405 1.00 0.00 H new ATOM 0 HB THR A 64 6.711 -0.881 -6.832 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.229 -3.042 -7.549 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.446 -2.198 -8.013 1.00 0.00 H new ATOM 0 HG22 THR A 64 9.172 -1.160 -6.762 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.966 -2.903 -6.464 1.00 0.00 H new ATOM 974 N GLY A 65 9.150 -0.158 -4.124 1.00 0.00 N ATOM 975 CA GLY A 65 9.855 1.124 -3.845 1.00 0.00 C ATOM 976 C GLY A 65 11.045 0.845 -2.916 1.00 0.00 C ATOM 977 O GLY A 65 11.365 -0.292 -2.631 1.00 0.00 O ATOM 0 H GLY A 65 9.691 -0.998 -3.917 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.201 1.574 -4.775 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.173 1.836 -3.380 1.00 0.00 H new ATOM 981 N THR A 66 11.700 1.868 -2.437 1.00 0.00 N ATOM 982 CA THR A 66 12.863 1.645 -1.524 1.00 0.00 C ATOM 983 C THR A 66 12.355 1.226 -0.140 1.00 0.00 C ATOM 984 O THR A 66 11.203 1.411 0.200 1.00 0.00 O ATOM 985 CB THR A 66 13.689 2.930 -1.413 1.00 0.00 C ATOM 986 OG1 THR A 66 12.816 4.042 -1.275 1.00 0.00 O ATOM 987 CG2 THR A 66 14.542 3.102 -2.671 1.00 0.00 C ATOM 0 H THR A 66 11.483 2.845 -2.636 1.00 0.00 H new ATOM 0 HA THR A 66 13.494 0.853 -1.928 1.00 0.00 H new ATOM 0 HB THR A 66 14.341 2.868 -0.541 1.00 0.00 H new ATOM 0 HG1 THR A 66 13.343 4.865 -1.202 1.00 0.00 H new ATOM 0 HG21 THR A 66 15.129 4.017 -2.590 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.212 2.249 -2.776 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.893 3.163 -3.545 1.00 0.00 H new ATOM 995 N GLN A 67 13.218 0.644 0.655 1.00 0.00 N ATOM 996 CA GLN A 67 12.820 0.183 2.018 1.00 0.00 C ATOM 997 C GLN A 67 12.052 1.286 2.753 1.00 0.00 C ATOM 998 O GLN A 67 11.020 1.045 3.346 1.00 0.00 O ATOM 999 CB GLN A 67 14.085 -0.177 2.819 1.00 0.00 C ATOM 1000 CG GLN A 67 13.729 -1.150 3.949 1.00 0.00 C ATOM 1001 CD GLN A 67 12.739 -0.487 4.907 1.00 0.00 C ATOM 1002 OE1 GLN A 67 11.511 -0.927 4.965 1.00 0.00 O flip ATOM 1003 NE2 GLN A 67 13.085 0.440 5.612 1.00 0.00 N flip ATOM 0 H GLN A 67 14.193 0.467 0.413 1.00 0.00 H new ATOM 0 HA GLN A 67 12.175 -0.691 1.922 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.827 -0.628 2.160 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.533 0.726 3.233 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.295 -2.060 3.535 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.630 -1.443 4.487 1.00 0.00 H new ATOM 0 HE21 GLN A 67 14.044 0.784 5.567 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.416 0.874 6.249 1.00 0.00 H new ATOM 1012 N ASP A 68 12.557 2.487 2.737 1.00 0.00 N ATOM 1013 CA ASP A 68 11.864 3.591 3.456 1.00 0.00 C ATOM 1014 C ASP A 68 10.538 3.913 2.769 1.00 0.00 C ATOM 1015 O ASP A 68 9.512 4.007 3.411 1.00 0.00 O ATOM 1016 CB ASP A 68 12.755 4.836 3.466 1.00 0.00 C ATOM 1017 CG ASP A 68 12.062 5.953 4.247 1.00 0.00 C ATOM 1018 OD1 ASP A 68 11.907 5.803 5.447 1.00 0.00 O ATOM 1019 OD2 ASP A 68 11.697 6.942 3.630 1.00 0.00 O ATOM 0 H ASP A 68 13.418 2.752 2.258 1.00 0.00 H new ATOM 0 HA ASP A 68 11.665 3.278 4.481 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.718 4.603 3.921 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.955 5.161 2.445 1.00 0.00 H new ATOM 1024 N GLN A 69 10.538 4.095 1.479 1.00 0.00 N ATOM 1025 CA GLN A 69 9.261 4.423 0.789 1.00 0.00 C ATOM 1026 C GLN A 69 8.232 3.327 1.085 1.00 0.00 C ATOM 1027 O GLN A 69 7.057 3.588 1.251 1.00 0.00 O ATOM 1028 CB GLN A 69 9.500 4.514 -0.722 1.00 0.00 C ATOM 1029 CG GLN A 69 10.557 5.590 -1.020 1.00 0.00 C ATOM 1030 CD GLN A 69 9.910 6.978 -1.015 1.00 0.00 C ATOM 1031 OE1 GLN A 69 9.221 7.340 -0.082 1.00 0.00 O ATOM 1032 NE2 GLN A 69 10.107 7.776 -2.028 1.00 0.00 N ATOM 0 H GLN A 69 11.359 4.032 0.877 1.00 0.00 H new ATOM 0 HA GLN A 69 8.886 5.381 1.149 1.00 0.00 H new ATOM 0 HB2 GLN A 69 9.832 3.549 -1.105 1.00 0.00 H new ATOM 0 HB3 GLN A 69 8.568 4.756 -1.233 1.00 0.00 H new ATOM 0 HG2 GLN A 69 11.351 5.547 -0.274 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.019 5.399 -1.989 1.00 0.00 H new ATOM 0 HE21 GLN A 69 10.685 7.472 -2.811 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.683 8.704 -2.037 1.00 0.00 H new ATOM 1041 N ILE A 70 8.677 2.098 1.160 1.00 0.00 N ATOM 1042 CA ILE A 70 7.748 0.970 1.455 1.00 0.00 C ATOM 1043 C ILE A 70 7.277 1.044 2.911 1.00 0.00 C ATOM 1044 O ILE A 70 6.105 0.897 3.194 1.00 0.00 O ATOM 1045 CB ILE A 70 8.475 -0.366 1.224 1.00 0.00 C ATOM 1046 CG1 ILE A 70 8.683 -0.579 -0.280 1.00 0.00 C ATOM 1047 CG2 ILE A 70 7.638 -1.524 1.791 1.00 0.00 C ATOM 1048 CD1 ILE A 70 9.595 -1.788 -0.510 1.00 0.00 C ATOM 0 H ILE A 70 9.652 1.828 1.028 1.00 0.00 H new ATOM 0 HA ILE A 70 6.884 1.040 0.795 1.00 0.00 H new ATOM 0 HB ILE A 70 9.440 -0.340 1.730 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.723 -0.737 -0.771 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.125 0.312 -0.725 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.160 -2.466 1.623 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.490 -1.376 2.861 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.670 -1.552 1.291 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.740 -1.936 -1.580 1.00 0.00 H new ATOM 0 HD12 ILE A 70 10.560 -1.612 -0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.135 -2.678 -0.080 1.00 0.00 H new ATOM 1060 N GLN A 71 8.166 1.273 3.844 1.00 0.00 N ATOM 1061 CA GLN A 71 7.756 1.356 5.270 1.00 0.00 C ATOM 1062 C GLN A 71 6.759 2.501 5.447 1.00 0.00 C ATOM 1063 O GLN A 71 5.766 2.371 6.135 1.00 0.00 O ATOM 1064 CB GLN A 71 8.993 1.624 6.129 1.00 0.00 C ATOM 1065 CG GLN A 71 8.642 1.440 7.605 1.00 0.00 C ATOM 1066 CD GLN A 71 8.506 -0.051 7.923 1.00 0.00 C ATOM 1067 OE1 GLN A 71 8.711 -0.932 6.982 1.00 0.00 O flip ATOM 1068 NE2 GLN A 71 8.210 -0.419 9.043 1.00 0.00 N flip ATOM 0 H GLN A 71 9.163 1.406 3.674 1.00 0.00 H new ATOM 0 HA GLN A 71 7.290 0.419 5.574 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.797 0.944 5.849 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.357 2.637 5.955 1.00 0.00 H new ATOM 0 HG2 GLN A 71 9.415 1.886 8.231 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.710 1.957 7.834 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.049 0.268 9.780 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.122 -1.415 9.246 1.00 0.00 H new ATOM 1077 N ASN A 72 7.014 3.623 4.830 1.00 0.00 N ATOM 1078 CA ASN A 72 6.077 4.770 4.963 1.00 0.00 C ATOM 1079 C ASN A 72 4.723 4.368 4.385 1.00 0.00 C ATOM 1080 O ASN A 72 3.681 4.724 4.900 1.00 0.00 O ATOM 1081 CB ASN A 72 6.629 5.976 4.199 1.00 0.00 C ATOM 1082 CG ASN A 72 7.940 6.431 4.841 1.00 0.00 C ATOM 1083 OD1 ASN A 72 8.694 5.623 5.348 1.00 0.00 O ATOM 1084 ND2 ASN A 72 8.248 7.699 4.841 1.00 0.00 N ATOM 0 H ASN A 72 7.829 3.793 4.241 1.00 0.00 H new ATOM 0 HA ASN A 72 5.965 5.038 6.014 1.00 0.00 H new ATOM 0 HB2 ASN A 72 6.796 5.713 3.154 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.904 6.790 4.211 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.121 8.012 5.266 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.616 8.377 4.416 1.00 0.00 H new ATOM 1091 N ALA A 73 4.733 3.623 3.314 1.00 0.00 N ATOM 1092 CA ALA A 73 3.453 3.190 2.693 1.00 0.00 C ATOM 1093 C ALA A 73 2.790 2.135 3.580 1.00 0.00 C ATOM 1094 O ALA A 73 1.602 2.179 3.832 1.00 0.00 O ATOM 1095 CB ALA A 73 3.734 2.596 1.313 1.00 0.00 C ATOM 0 H ALA A 73 5.576 3.295 2.842 1.00 0.00 H new ATOM 0 HA ALA A 73 2.788 4.047 2.590 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.797 2.278 0.856 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.208 3.348 0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.398 1.737 1.415 1.00 0.00 H new ATOM 1101 N GLN A 74 3.548 1.181 4.052 1.00 0.00 N ATOM 1102 CA GLN A 74 2.968 0.117 4.917 1.00 0.00 C ATOM 1103 C GLN A 74 2.331 0.743 6.159 1.00 0.00 C ATOM 1104 O GLN A 74 1.211 0.435 6.514 1.00 0.00 O ATOM 1105 CB GLN A 74 4.075 -0.846 5.349 1.00 0.00 C ATOM 1106 CG GLN A 74 4.475 -1.732 4.168 1.00 0.00 C ATOM 1107 CD GLN A 74 5.551 -2.723 4.615 1.00 0.00 C ATOM 1108 OE1 GLN A 74 6.254 -3.354 3.715 1.00 0.00 O flip ATOM 1109 NE2 GLN A 74 5.754 -2.926 5.796 1.00 0.00 N flip ATOM 0 H GLN A 74 4.549 1.094 3.874 1.00 0.00 H new ATOM 0 HA GLN A 74 2.206 -0.423 4.356 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.939 -0.286 5.705 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.731 -1.463 6.179 1.00 0.00 H new ATOM 0 HG2 GLN A 74 3.605 -2.269 3.792 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.849 -1.118 3.349 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.205 -2.433 6.500 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.474 -3.589 6.083 1.00 0.00 H new ATOM 1118 N TYR A 75 3.037 1.611 6.832 1.00 0.00 N ATOM 1119 CA TYR A 75 2.466 2.238 8.057 1.00 0.00 C ATOM 1120 C TYR A 75 1.179 2.988 7.704 1.00 0.00 C ATOM 1121 O TYR A 75 0.207 2.934 8.431 1.00 0.00 O ATOM 1122 CB TYR A 75 3.483 3.203 8.671 1.00 0.00 C ATOM 1123 CG TYR A 75 2.984 3.679 10.015 1.00 0.00 C ATOM 1124 CD1 TYR A 75 2.160 4.807 10.096 1.00 0.00 C ATOM 1125 CD2 TYR A 75 3.346 2.992 11.180 1.00 0.00 C ATOM 1126 CE1 TYR A 75 1.697 5.248 11.341 1.00 0.00 C ATOM 1127 CE2 TYR A 75 2.885 3.433 12.426 1.00 0.00 C ATOM 1128 CZ TYR A 75 2.061 4.562 12.506 1.00 0.00 C ATOM 1129 OH TYR A 75 1.605 4.998 13.734 1.00 0.00 O ATOM 0 H TYR A 75 3.980 1.912 6.587 1.00 0.00 H new ATOM 0 HA TYR A 75 2.235 1.458 8.783 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.447 2.707 8.785 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.638 4.054 8.008 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.881 5.337 9.198 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.981 2.121 11.117 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.059 6.117 11.403 1.00 0.00 H new ATOM 0 HE2 TYR A 75 3.165 2.903 13.324 1.00 0.00 H new ATOM 0 HH TYR A 75 1.949 4.410 14.438 1.00 0.00 H new ATOM 1139 N LEU A 76 1.151 3.683 6.599 1.00 0.00 N ATOM 1140 CA LEU A 76 -0.096 4.417 6.234 1.00 0.00 C ATOM 1141 C LEU A 76 -1.196 3.402 5.921 1.00 0.00 C ATOM 1142 O LEU A 76 -2.368 3.684 6.075 1.00 0.00 O ATOM 1143 CB LEU A 76 0.147 5.320 5.016 1.00 0.00 C ATOM 1144 CG LEU A 76 1.142 6.441 5.369 1.00 0.00 C ATOM 1145 CD1 LEU A 76 1.780 6.985 4.085 1.00 0.00 C ATOM 1146 CD2 LEU A 76 0.416 7.588 6.085 1.00 0.00 C ATOM 0 H LEU A 76 1.925 3.774 5.941 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.401 5.047 7.070 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.536 4.727 4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.796 5.754 4.683 1.00 0.00 H new ATOM 0 HG LEU A 76 1.911 6.032 6.025 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.484 7.778 4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.308 6.181 3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.003 7.383 3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.130 8.374 6.329 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.359 7.991 5.433 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.040 7.214 7.002 1.00 0.00 H new ATOM 1158 N LEU A 77 -0.841 2.216 5.507 1.00 0.00 N ATOM 1159 CA LEU A 77 -1.889 1.196 5.221 1.00 0.00 C ATOM 1160 C LEU A 77 -2.426 0.669 6.556 1.00 0.00 C ATOM 1161 O LEU A 77 -3.617 0.526 6.747 1.00 0.00 O ATOM 1162 CB LEU A 77 -1.289 0.035 4.401 1.00 0.00 C ATOM 1163 CG LEU A 77 -1.286 0.385 2.898 1.00 0.00 C ATOM 1164 CD1 LEU A 77 -0.296 -0.525 2.163 1.00 0.00 C ATOM 1165 CD2 LEU A 77 -2.684 0.187 2.286 1.00 0.00 C ATOM 0 H LEU A 77 0.121 1.911 5.356 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.697 1.644 4.642 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.272 -0.168 4.736 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.867 -0.874 4.568 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.995 1.430 2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.294 -0.278 1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.704 -0.380 2.571 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.593 -1.566 2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.656 0.440 1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.988 -0.853 2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.399 0.834 2.795 1.00 0.00 H new ATOM 1177 N GLN A 78 -1.546 0.387 7.480 1.00 0.00 N ATOM 1178 CA GLN A 78 -1.980 -0.124 8.811 1.00 0.00 C ATOM 1179 C GLN A 78 -2.851 0.923 9.512 1.00 0.00 C ATOM 1180 O GLN A 78 -3.820 0.599 10.169 1.00 0.00 O ATOM 1181 CB GLN A 78 -0.740 -0.408 9.667 1.00 0.00 C ATOM 1182 CG GLN A 78 -1.164 -1.074 10.977 1.00 0.00 C ATOM 1183 CD GLN A 78 0.080 -1.512 11.752 1.00 0.00 C ATOM 1184 OE1 GLN A 78 0.288 -1.098 12.874 1.00 0.00 O ATOM 1185 NE2 GLN A 78 0.922 -2.340 11.195 1.00 0.00 N ATOM 0 H GLN A 78 -0.537 0.490 7.368 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.558 -1.039 8.677 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.051 -1.055 9.124 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -0.208 0.521 9.875 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -1.753 -0.380 11.576 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.799 -1.935 10.771 1.00 0.00 H new ATOM 0 HE21 GLN A 78 0.747 -2.688 10.252 1.00 0.00 H new ATOM 0 HE22 GLN A 78 1.755 -2.639 11.703 1.00 0.00 H new ATOM 1194 N ASN A 79 -2.512 2.183 9.390 1.00 0.00 N ATOM 1195 CA ASN A 79 -3.333 3.231 10.064 1.00 0.00 C ATOM 1196 C ASN A 79 -4.599 3.496 9.247 1.00 0.00 C ATOM 1197 O ASN A 79 -5.592 3.951 9.782 1.00 0.00 O ATOM 1198 CB ASN A 79 -2.527 4.519 10.245 1.00 0.00 C ATOM 1199 CG ASN A 79 -3.361 5.538 11.023 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -4.123 5.175 11.898 1.00 0.00 O ATOM 1201 ND2 ASN A 79 -3.251 6.806 10.740 1.00 0.00 N ATOM 0 H ASN A 79 -1.712 2.527 8.859 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.618 2.874 11.054 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.600 4.309 10.779 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.250 4.927 9.273 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -3.804 7.493 11.253 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.612 7.111 10.006 1.00 0.00 H new ATOM 1208 N SER A 80 -4.607 3.221 7.971 1.00 0.00 N ATOM 1209 CA SER A 80 -5.860 3.481 7.210 1.00 0.00 C ATOM 1210 C SER A 80 -6.935 2.557 7.788 1.00 0.00 C ATOM 1211 O SER A 80 -8.089 2.917 7.896 1.00 0.00 O ATOM 1212 CB SER A 80 -5.654 3.207 5.716 1.00 0.00 C ATOM 1213 OG SER A 80 -4.559 3.981 5.246 1.00 0.00 O ATOM 0 H SER A 80 -3.826 2.840 7.437 1.00 0.00 H new ATOM 0 HA SER A 80 -6.159 4.525 7.304 1.00 0.00 H new ATOM 0 HB2 SER A 80 -5.463 2.147 5.551 1.00 0.00 H new ATOM 0 HB3 SER A 80 -6.557 3.458 5.160 1.00 0.00 H new ATOM 0 HG SER A 80 -3.718 3.536 5.482 1.00 0.00 H new ATOM 1219 N VAL A 81 -6.547 1.366 8.163 1.00 0.00 N ATOM 1220 CA VAL A 81 -7.506 0.378 8.746 1.00 0.00 C ATOM 1221 C VAL A 81 -8.461 1.087 9.713 1.00 0.00 C ATOM 1222 O VAL A 81 -9.652 0.846 9.708 1.00 0.00 O ATOM 1223 CB VAL A 81 -6.710 -0.695 9.504 1.00 0.00 C ATOM 1224 CG1 VAL A 81 -7.641 -1.824 9.974 1.00 0.00 C ATOM 1225 CG2 VAL A 81 -5.637 -1.279 8.580 1.00 0.00 C ATOM 0 H VAL A 81 -5.587 1.029 8.089 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.089 -0.083 7.949 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.244 -0.235 10.375 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.060 -2.575 10.509 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.403 -1.415 10.637 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.120 -2.284 9.110 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.071 -2.041 9.116 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.113 -1.727 7.708 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.963 -0.485 8.258 1.00 0.00 H new