USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 582 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 76 THR OG1 : rot -170:sc= -0.104 USER MOD Set 1.2: A 79 ASN : amide:sc= -0.399 K(o=-0.5,f=-5!) USER MOD Set 2.1: A 59 ASN : amide:sc= -2.65 K(o=-7.1,f=-20!) USER MOD Set 2.2: A 62 GLN : amide:sc= -4.49 K(o=-7.1,f=-10!) USER MOD Single : A 13 ASN : amide:sc= -2.48 K(o=-2.5,f=-5!) USER MOD Single : A 14 HIS : no HE2:sc= -4.22! C(o=-4.2!,f=-4.6!) USER MOD Single : A 19 THR OG1 : rot 88:sc= 0.122! USER MOD Single : A 20 ASN : amide:sc= -0.0528 X(o=-0.053,f=-0.13) USER MOD Single : A 25 THR OG1 : rot -40:sc= -3.49 USER MOD Single : A 26 ASN : amide:sc= -2.09! C(o=-2.1!,f=-14!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 106:sc= 0.576 USER MOD Single : A 32 MET CE :methyl 140:sc= -0.952 (180deg=-3.55!) USER MOD Single : A 35 ASN : amide:sc= -0.0144 K(o=-0.014,f=-0.67) USER MOD Single : A 36 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.1) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -6.52! C(o=-6.5!,f=-4.1!) USER MOD Single : A 71 GLN : amide:sc= -1.4 K(o=-1.4,f=-3.1!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= -0.457 X(o=-0.46,f=0) USER MOD Single : A 81 MET CE :methyl -167:sc= -4.17! (180deg=-4.29!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 172 N ASN A 13 -10.765 0.237 -1.704 1.00 0.00 N ATOM 173 CA ASN A 13 -9.731 1.084 -1.083 1.00 0.00 C ATOM 174 C ASN A 13 -8.791 1.770 -2.103 1.00 0.00 C ATOM 175 O ASN A 13 -9.214 2.789 -2.625 1.00 0.00 O ATOM 176 CB ASN A 13 -8.930 0.288 -0.025 1.00 0.00 C ATOM 177 CG ASN A 13 -8.725 -1.160 -0.489 1.00 0.00 C ATOM 178 OD1 ASN A 13 -8.693 -1.407 -1.684 1.00 0.00 O ATOM 179 ND2 ASN A 13 -8.593 -2.117 0.385 1.00 0.00 N ATOM 0 HA ASN A 13 -10.263 1.895 -0.585 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.964 0.763 0.142 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -9.460 0.300 0.927 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -8.462 -3.079 0.072 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -8.621 -1.904 1.382 1.00 0.00 H new ATOM 186 N HIS A 14 -7.641 1.238 -2.322 1.00 0.00 N ATOM 187 CA HIS A 14 -6.595 1.768 -3.241 1.00 0.00 C ATOM 188 C HIS A 14 -5.615 2.731 -2.513 1.00 0.00 C ATOM 189 O HIS A 14 -4.830 3.456 -3.049 1.00 0.00 O ATOM 190 CB HIS A 14 -7.163 2.388 -4.516 1.00 0.00 C ATOM 191 CG HIS A 14 -7.410 3.853 -4.432 1.00 0.00 C ATOM 192 ND1 HIS A 14 -8.728 4.328 -4.481 1.00 0.00 N ATOM 193 CD2 HIS A 14 -6.722 5.019 -4.318 1.00 0.00 C ATOM 194 CE1 HIS A 14 -8.801 5.660 -4.399 1.00 0.00 C ATOM 195 NE2 HIS A 14 -7.572 6.140 -4.294 1.00 0.00 N ATOM 0 H HIS A 14 -7.352 0.376 -1.860 1.00 0.00 H new ATOM 0 HA HIS A 14 -6.020 0.901 -3.565 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.473 2.195 -5.337 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.100 1.888 -4.762 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -9.544 3.722 -4.570 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -5.646 5.079 -4.253 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -9.709 6.245 -4.416 1.00 0.00 H new ATOM 204 N ILE A 15 -5.695 2.698 -1.193 1.00 0.00 N ATOM 205 CA ILE A 15 -4.844 3.556 -0.310 1.00 0.00 C ATOM 206 C ILE A 15 -4.354 2.617 0.818 1.00 0.00 C ATOM 207 O ILE A 15 -5.114 2.229 1.659 1.00 0.00 O ATOM 208 CB ILE A 15 -5.524 4.791 0.264 1.00 0.00 C ATOM 209 CG1 ILE A 15 -5.303 5.959 -0.725 1.00 0.00 C ATOM 210 CG2 ILE A 15 -4.804 5.162 1.557 1.00 0.00 C ATOM 211 CD1 ILE A 15 -5.953 7.242 -0.252 1.00 0.00 C ATOM 0 H ILE A 15 -6.337 2.090 -0.684 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.037 3.982 -0.906 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.584 4.604 0.433 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.234 6.123 -0.857 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.707 5.688 -1.700 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.270 6.046 1.992 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.870 4.333 2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.756 5.373 1.342 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.770 8.032 -0.980 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.027 7.088 -0.146 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.531 7.530 0.711 1.00 0.00 H new ATOM 223 N LEU A 16 -3.071 2.301 0.775 1.00 0.00 N ATOM 224 CA LEU A 16 -2.454 1.398 1.784 1.00 0.00 C ATOM 225 C LEU A 16 -1.349 2.179 2.554 1.00 0.00 C ATOM 226 O LEU A 16 -0.323 2.581 2.041 1.00 0.00 O ATOM 227 CB LEU A 16 -1.858 0.217 1.045 1.00 0.00 C ATOM 228 CG LEU A 16 -2.682 -0.101 -0.211 1.00 0.00 C ATOM 229 CD1 LEU A 16 -2.092 0.726 -1.367 1.00 0.00 C ATOM 230 CD2 LEU A 16 -2.561 -1.590 -0.463 1.00 0.00 C ATOM 0 H LEU A 16 -2.424 2.644 0.065 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.192 1.045 2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.828 0.437 0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.831 -0.654 1.700 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.737 0.151 -0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.653 0.527 -2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.157 1.787 -1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.048 0.451 -1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.135 -1.857 -1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.513 -1.849 -0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.948 -2.137 0.397 1.00 0.00 H new ATOM 242 N PHE A 17 -1.692 2.381 3.832 1.00 0.00 N ATOM 243 CA PHE A 17 -0.953 3.161 4.814 1.00 0.00 C ATOM 244 C PHE A 17 -0.560 2.182 5.943 1.00 0.00 C ATOM 245 O PHE A 17 -1.411 1.505 6.410 1.00 0.00 O ATOM 246 CB PHE A 17 -1.674 4.339 5.416 1.00 0.00 C ATOM 247 CG PHE A 17 -0.970 4.561 6.771 1.00 0.00 C ATOM 248 CD1 PHE A 17 0.323 5.071 6.734 1.00 0.00 C ATOM 249 CD2 PHE A 17 -1.618 4.258 7.986 1.00 0.00 C ATOM 250 CE1 PHE A 17 0.999 5.286 7.953 1.00 0.00 C ATOM 251 CE2 PHE A 17 -0.927 4.478 9.182 1.00 0.00 C ATOM 252 CZ PHE A 17 0.360 4.985 9.166 1.00 0.00 C ATOM 0 H PHE A 17 -2.543 1.978 4.224 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.109 3.608 4.289 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.599 5.220 4.779 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.736 4.131 5.548 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.800 5.298 5.792 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.624 3.865 7.993 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.004 5.681 7.953 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.402 4.250 10.125 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.879 5.151 10.098 1.00 0.00 H new ATOM 262 N LEU A 18 0.696 2.169 6.192 1.00 0.00 N ATOM 263 CA LEU A 18 1.220 1.339 7.247 1.00 0.00 C ATOM 264 C LEU A 18 2.698 1.569 7.217 1.00 0.00 C ATOM 265 O LEU A 18 3.177 2.441 6.497 1.00 0.00 O ATOM 266 CB LEU A 18 0.696 -0.056 7.456 1.00 0.00 C ATOM 267 CG LEU A 18 -0.466 -0.090 8.490 1.00 0.00 C ATOM 268 CD1 LEU A 18 -0.609 -1.584 8.854 1.00 0.00 C ATOM 269 CD2 LEU A 18 -0.104 0.609 9.782 1.00 0.00 C ATOM 0 H LEU A 18 1.393 2.718 5.688 1.00 0.00 H new ATOM 0 HA LEU A 18 0.791 1.646 8.201 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.348 -0.459 6.505 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.506 -0.701 7.798 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.350 0.389 8.069 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.410 -1.706 9.583 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.844 -2.156 7.957 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.327 -1.946 9.280 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.947 0.559 10.471 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.761 0.120 10.230 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.135 1.653 9.577 1.00 0.00 H new ATOM 281 N THR A 19 3.366 0.945 8.040 1.00 0.00 N ATOM 282 CA THR A 19 4.777 1.146 8.209 1.00 0.00 C ATOM 283 C THR A 19 5.356 -0.242 8.439 1.00 0.00 C ATOM 284 O THR A 19 4.692 -1.271 8.416 1.00 0.00 O ATOM 285 CB THR A 19 4.940 1.939 9.535 1.00 0.00 C ATOM 286 OG1 THR A 19 6.093 1.567 10.243 1.00 0.00 O ATOM 287 CG2 THR A 19 3.735 1.628 10.452 1.00 0.00 C ATOM 0 H THR A 19 2.972 0.240 8.663 1.00 0.00 H new ATOM 0 HA THR A 19 5.248 1.659 7.370 1.00 0.00 H new ATOM 0 HB THR A 19 5.008 2.994 9.271 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.854 2.101 9.932 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.837 2.179 11.387 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.812 1.926 9.954 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.704 0.559 10.662 1.00 0.00 H new ATOM 295 N ASN A 20 6.561 -0.220 8.603 1.00 0.00 N ATOM 296 CA ASN A 20 7.441 -1.414 8.892 1.00 0.00 C ATOM 297 C ASN A 20 8.392 -1.669 7.722 1.00 0.00 C ATOM 298 O ASN A 20 8.664 -2.746 7.267 1.00 0.00 O ATOM 299 CB ASN A 20 6.664 -2.638 9.329 1.00 0.00 C ATOM 300 CG ASN A 20 7.535 -3.636 10.130 1.00 0.00 C ATOM 301 OD1 ASN A 20 8.588 -4.017 9.695 1.00 0.00 O ATOM 302 ND2 ASN A 20 7.096 -4.059 11.297 1.00 0.00 N ATOM 0 H ASN A 20 7.092 0.650 8.555 1.00 0.00 H new ATOM 0 HA ASN A 20 8.056 -1.174 9.759 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.817 -2.328 9.940 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.257 -3.139 8.451 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.652 -4.718 11.843 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.200 -3.728 11.655 1.00 0.00 H new ATOM 309 N LEU A 21 8.934 -0.585 7.209 1.00 0.00 N ATOM 310 CA LEU A 21 9.857 -0.711 6.066 1.00 0.00 C ATOM 311 C LEU A 21 11.312 -0.626 6.564 1.00 0.00 C ATOM 312 O LEU A 21 11.510 0.009 7.573 1.00 0.00 O ATOM 313 CB LEU A 21 9.629 0.421 5.048 1.00 0.00 C ATOM 314 CG LEU A 21 8.326 0.278 4.290 1.00 0.00 C ATOM 315 CD1 LEU A 21 7.280 -0.557 5.007 1.00 0.00 C ATOM 316 CD2 LEU A 21 7.728 1.692 4.123 1.00 0.00 C ATOM 0 H LEU A 21 8.770 0.366 7.539 1.00 0.00 H new ATOM 0 HA LEU A 21 9.670 -1.672 5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.637 1.378 5.569 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.456 0.437 4.339 1.00 0.00 H new ATOM 0 HG LEU A 21 8.560 -0.222 3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.377 -0.611 4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.667 -1.563 5.171 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.043 -0.098 5.967 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.786 1.627 3.579 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.551 2.130 5.105 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.425 2.318 3.567 1.00 0.00 H new ATOM 328 N PRO A 22 12.155 -1.265 5.819 1.00 0.00 N ATOM 329 CA PRO A 22 13.592 -1.319 6.104 1.00 0.00 C ATOM 330 C PRO A 22 14.226 0.076 6.244 1.00 0.00 C ATOM 331 O PRO A 22 13.610 1.107 6.313 1.00 0.00 O ATOM 332 CB PRO A 22 14.270 -2.177 5.027 1.00 0.00 C ATOM 333 CG PRO A 22 13.124 -2.747 4.134 1.00 0.00 C ATOM 334 CD PRO A 22 11.836 -2.032 4.586 1.00 0.00 C ATOM 0 HA PRO A 22 13.745 -1.784 7.078 1.00 0.00 H new ATOM 0 HB2 PRO A 22 14.964 -1.580 4.435 1.00 0.00 H new ATOM 0 HB3 PRO A 22 14.848 -2.983 5.479 1.00 0.00 H new ATOM 0 HG2 PRO A 22 13.323 -2.561 3.079 1.00 0.00 H new ATOM 0 HG3 PRO A 22 13.034 -3.826 4.257 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.474 -1.365 3.804 1.00 0.00 H new ATOM 0 HD3 PRO A 22 11.044 -2.756 4.780 1.00 0.00 H new ATOM 342 N GLU A 23 15.531 0.118 6.292 1.00 0.00 N ATOM 343 CA GLU A 23 16.306 1.383 6.443 1.00 0.00 C ATOM 344 C GLU A 23 16.901 1.849 5.128 1.00 0.00 C ATOM 345 O GLU A 23 16.991 3.019 4.863 1.00 0.00 O ATOM 346 CB GLU A 23 17.392 1.213 7.525 1.00 0.00 C ATOM 347 CG GLU A 23 17.945 2.580 7.897 1.00 0.00 C ATOM 348 CD GLU A 23 19.460 2.668 7.668 1.00 0.00 C ATOM 349 OE1 GLU A 23 20.154 1.768 8.128 1.00 0.00 O ATOM 350 OE2 GLU A 23 19.907 3.607 7.047 1.00 0.00 O ATOM 0 H GLU A 23 16.117 -0.715 6.229 1.00 0.00 H new ATOM 0 HA GLU A 23 15.615 2.163 6.763 1.00 0.00 H new ATOM 0 HB2 GLU A 23 16.972 0.725 8.405 1.00 0.00 H new ATOM 0 HB3 GLU A 23 18.192 0.572 7.156 1.00 0.00 H new ATOM 0 HG2 GLU A 23 17.444 3.347 7.307 1.00 0.00 H new ATOM 0 HG3 GLU A 23 17.724 2.788 8.944 1.00 0.00 H new ATOM 357 N GLU A 24 17.283 0.892 4.325 1.00 0.00 N ATOM 358 CA GLU A 24 17.853 1.322 3.000 1.00 0.00 C ATOM 359 C GLU A 24 16.630 1.702 2.134 1.00 0.00 C ATOM 360 O GLU A 24 16.803 2.242 1.053 1.00 0.00 O ATOM 361 CB GLU A 24 18.679 0.219 2.362 1.00 0.00 C ATOM 362 CG GLU A 24 17.765 -0.861 1.757 1.00 0.00 C ATOM 363 CD GLU A 24 18.383 -2.212 2.083 1.00 0.00 C ATOM 364 OE1 GLU A 24 19.574 -2.356 1.806 1.00 0.00 O ATOM 365 OE2 GLU A 24 17.665 -3.050 2.587 1.00 0.00 O ATOM 0 H GLU A 24 17.234 -0.111 4.504 1.00 0.00 H new ATOM 0 HA GLU A 24 18.539 2.162 3.110 1.00 0.00 H new ATOM 0 HB2 GLU A 24 19.318 0.639 1.585 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.336 -0.229 3.108 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.759 -0.789 2.171 1.00 0.00 H new ATOM 0 HG3 GLU A 24 17.676 -0.729 0.679 1.00 0.00 H new ATOM 372 N THR A 25 15.461 1.419 2.629 1.00 0.00 N ATOM 373 CA THR A 25 14.176 1.702 1.964 1.00 0.00 C ATOM 374 C THR A 25 14.049 3.211 1.795 1.00 0.00 C ATOM 375 O THR A 25 14.138 3.928 2.784 1.00 0.00 O ATOM 376 CB THR A 25 13.057 1.165 2.886 1.00 0.00 C ATOM 377 OG1 THR A 25 13.512 -0.048 3.441 1.00 0.00 O ATOM 378 CG2 THR A 25 11.773 0.879 2.103 1.00 0.00 C ATOM 0 H THR A 25 15.348 0.969 3.537 1.00 0.00 H new ATOM 0 HA THR A 25 14.108 1.230 0.984 1.00 0.00 H new ATOM 0 HB THR A 25 12.835 1.912 3.648 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.991 -0.562 2.757 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.008 0.503 2.783 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.421 1.797 1.633 1.00 0.00 H new ATOM 0 HG23 THR A 25 11.974 0.132 1.335 1.00 0.00 H new ATOM 386 N ASN A 26 13.847 3.707 0.597 1.00 0.00 N ATOM 387 CA ASN A 26 13.721 5.162 0.377 1.00 0.00 C ATOM 388 C ASN A 26 12.501 5.543 -0.490 1.00 0.00 C ATOM 389 O ASN A 26 11.776 4.683 -0.963 1.00 0.00 O ATOM 390 CB ASN A 26 15.041 5.719 -0.199 1.00 0.00 C ATOM 391 CG ASN A 26 15.185 5.449 -1.683 1.00 0.00 C ATOM 392 OD1 ASN A 26 14.508 6.101 -2.462 1.00 0.00 O ATOM 393 ND2 ASN A 26 16.019 4.530 -2.125 1.00 0.00 N ATOM 0 H ASN A 26 13.764 3.142 -0.248 1.00 0.00 H new ATOM 0 HA ASN A 26 13.536 5.628 1.345 1.00 0.00 H new ATOM 0 HB2 ASN A 26 15.086 6.794 -0.022 1.00 0.00 H new ATOM 0 HB3 ASN A 26 15.882 5.273 0.332 1.00 0.00 H new ATOM 0 HD21 ASN A 26 16.104 4.358 -3.127 1.00 0.00 H new ATOM 0 HD22 ASN A 26 16.580 3.991 -1.465 1.00 0.00 H new ATOM 400 N GLU A 27 12.276 6.830 -0.691 1.00 0.00 N ATOM 401 CA GLU A 27 11.145 7.353 -1.486 1.00 0.00 C ATOM 402 C GLU A 27 11.308 7.052 -2.968 1.00 0.00 C ATOM 403 O GLU A 27 10.336 6.773 -3.604 1.00 0.00 O ATOM 404 CB GLU A 27 11.024 8.889 -1.388 1.00 0.00 C ATOM 405 CG GLU A 27 9.831 9.390 -2.234 1.00 0.00 C ATOM 406 CD GLU A 27 10.278 10.392 -3.291 1.00 0.00 C ATOM 407 OE1 GLU A 27 11.441 10.492 -3.629 1.00 0.00 O ATOM 408 OE2 GLU A 27 9.393 11.089 -3.768 1.00 0.00 O ATOM 0 H GLU A 27 12.874 7.562 -0.307 1.00 0.00 H new ATOM 0 HA GLU A 27 10.264 6.862 -1.072 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.890 9.184 -0.347 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.946 9.356 -1.735 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.345 8.542 -2.717 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.090 9.853 -1.582 1.00 0.00 H new ATOM 415 N LEU A 28 12.464 7.085 -3.591 1.00 0.00 N ATOM 416 CA LEU A 28 12.572 6.788 -5.074 1.00 0.00 C ATOM 417 C LEU A 28 12.416 5.252 -5.238 1.00 0.00 C ATOM 418 O LEU A 28 11.949 4.738 -6.223 1.00 0.00 O ATOM 419 CB LEU A 28 13.933 7.223 -5.577 1.00 0.00 C ATOM 420 CG LEU A 28 14.333 6.463 -6.854 1.00 0.00 C ATOM 421 CD1 LEU A 28 13.383 6.870 -7.960 1.00 0.00 C ATOM 422 CD2 LEU A 28 15.771 6.801 -7.250 1.00 0.00 C ATOM 0 H LEU A 28 13.351 7.306 -3.138 1.00 0.00 H new ATOM 0 HA LEU A 28 11.808 7.320 -5.642 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.922 8.294 -5.778 1.00 0.00 H new ATOM 0 HB3 LEU A 28 14.680 7.052 -4.802 1.00 0.00 H new ATOM 0 HG LEU A 28 14.275 5.389 -6.679 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.646 6.344 -8.878 1.00 0.00 H new ATOM 0 HD12 LEU A 28 12.362 6.615 -7.675 1.00 0.00 H new ATOM 0 HD13 LEU A 28 13.456 7.945 -8.125 1.00 0.00 H new ATOM 0 HD21 LEU A 28 16.037 6.255 -8.155 1.00 0.00 H new ATOM 0 HD22 LEU A 28 15.855 7.872 -7.434 1.00 0.00 H new ATOM 0 HD23 LEU A 28 16.447 6.517 -6.443 1.00 0.00 H new ATOM 434 N MET A 29 12.829 4.559 -4.195 1.00 0.00 N ATOM 435 CA MET A 29 12.757 3.069 -4.144 1.00 0.00 C ATOM 436 C MET A 29 11.289 2.632 -4.161 1.00 0.00 C ATOM 437 O MET A 29 10.784 1.930 -5.019 1.00 0.00 O ATOM 438 CB MET A 29 13.373 2.619 -2.804 1.00 0.00 C ATOM 439 CG MET A 29 13.911 1.208 -2.870 1.00 0.00 C ATOM 440 SD MET A 29 15.735 1.318 -2.925 1.00 0.00 S ATOM 441 CE MET A 29 16.134 -0.057 -1.849 1.00 0.00 C ATOM 0 H MET A 29 13.223 4.985 -3.356 1.00 0.00 H new ATOM 0 HA MET A 29 13.284 2.635 -4.994 1.00 0.00 H new ATOM 0 HB2 MET A 29 14.178 3.301 -2.529 1.00 0.00 H new ATOM 0 HB3 MET A 29 12.619 2.683 -2.020 1.00 0.00 H new ATOM 0 HG2 MET A 29 13.587 0.633 -2.002 1.00 0.00 H new ATOM 0 HG3 MET A 29 13.531 0.694 -3.753 1.00 0.00 H new ATOM 0 HE1 MET A 29 17.217 -0.147 -1.760 1.00 0.00 H new ATOM 0 HE2 MET A 29 15.702 0.115 -0.863 1.00 0.00 H new ATOM 0 HE3 MET A 29 15.726 -0.977 -2.268 1.00 0.00 H new ATOM 451 N LEU A 30 10.609 3.107 -3.140 1.00 0.00 N ATOM 452 CA LEU A 30 9.182 2.805 -2.977 1.00 0.00 C ATOM 453 C LEU A 30 8.428 3.575 -4.044 1.00 0.00 C ATOM 454 O LEU A 30 7.353 3.198 -4.454 1.00 0.00 O ATOM 455 CB LEU A 30 8.759 3.239 -1.555 1.00 0.00 C ATOM 456 CG LEU A 30 8.453 1.950 -0.766 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.758 1.242 -0.357 1.00 0.00 C ATOM 458 CD2 LEU A 30 7.632 2.343 0.458 1.00 0.00 C ATOM 0 H LEU A 30 11.006 3.699 -2.411 1.00 0.00 H new ATOM 0 HA LEU A 30 8.967 1.742 -3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.554 3.808 -1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.882 3.886 -1.593 1.00 0.00 H new ATOM 0 HG LEU A 30 7.891 1.248 -1.382 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.521 0.335 0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.326 0.982 -1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.352 1.907 0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.397 1.452 1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.205 3.038 1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.706 2.821 0.137 1.00 0.00 H new ATOM 470 N SER A 31 8.940 4.666 -4.552 1.00 0.00 N ATOM 471 CA SER A 31 8.287 5.480 -5.594 1.00 0.00 C ATOM 472 C SER A 31 8.124 4.648 -6.872 1.00 0.00 C ATOM 473 O SER A 31 7.052 4.504 -7.389 1.00 0.00 O ATOM 474 CB SER A 31 9.141 6.697 -6.017 1.00 0.00 C ATOM 475 OG SER A 31 8.750 7.820 -5.269 1.00 0.00 O ATOM 0 H SER A 31 9.843 5.038 -4.259 1.00 0.00 H new ATOM 0 HA SER A 31 7.339 5.808 -5.167 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.198 6.488 -5.855 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.014 6.893 -7.082 1.00 0.00 H new ATOM 0 HG SER A 31 9.434 8.020 -4.597 1.00 0.00 H new ATOM 481 N MET A 32 9.252 4.139 -7.300 1.00 0.00 N ATOM 482 CA MET A 32 9.340 3.292 -8.517 1.00 0.00 C ATOM 483 C MET A 32 8.779 1.899 -8.252 1.00 0.00 C ATOM 484 O MET A 32 8.237 1.221 -9.122 1.00 0.00 O ATOM 485 CB MET A 32 10.811 3.198 -8.954 1.00 0.00 C ATOM 486 CG MET A 32 11.579 2.228 -8.075 1.00 0.00 C ATOM 487 SD MET A 32 13.266 2.054 -8.743 1.00 0.00 S ATOM 488 CE MET A 32 14.096 1.566 -7.199 1.00 0.00 C ATOM 0 H MET A 32 10.147 4.285 -6.833 1.00 0.00 H new ATOM 0 HA MET A 32 8.747 3.745 -9.311 1.00 0.00 H new ATOM 0 HB2 MET A 32 10.865 2.874 -9.993 1.00 0.00 H new ATOM 0 HB3 MET A 32 11.273 4.184 -8.903 1.00 0.00 H new ATOM 0 HG2 MET A 32 11.614 2.593 -7.049 1.00 0.00 H new ATOM 0 HG3 MET A 32 11.079 1.260 -8.052 1.00 0.00 H new ATOM 0 HE1 MET A 32 14.828 0.787 -7.410 1.00 0.00 H new ATOM 0 HE2 MET A 32 14.600 2.431 -6.768 1.00 0.00 H new ATOM 0 HE3 MET A 32 13.357 1.188 -6.493 1.00 0.00 H new ATOM 498 N LEU A 33 8.859 1.400 -7.036 1.00 0.00 N ATOM 499 CA LEU A 33 8.323 0.029 -6.697 1.00 0.00 C ATOM 500 C LEU A 33 6.787 0.171 -6.726 1.00 0.00 C ATOM 501 O LEU A 33 6.028 -0.681 -7.095 1.00 0.00 O ATOM 502 CB LEU A 33 8.704 -0.348 -5.262 1.00 0.00 C ATOM 503 CG LEU A 33 9.775 -1.448 -5.205 1.00 0.00 C ATOM 504 CD1 LEU A 33 10.463 -1.523 -3.849 1.00 0.00 C ATOM 505 CD2 LEU A 33 9.052 -2.789 -5.407 1.00 0.00 C ATOM 0 H LEU A 33 9.280 1.892 -6.248 1.00 0.00 H new ATOM 0 HA LEU A 33 8.713 -0.720 -7.386 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.070 0.538 -4.743 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.814 -0.685 -4.730 1.00 0.00 H new ATOM 0 HG LEU A 33 10.527 -1.232 -5.964 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.210 -2.316 -3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.949 -0.571 -3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.723 -1.735 -3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.777 -3.602 -5.374 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.315 -2.928 -4.616 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.550 -2.790 -6.375 1.00 0.00 H new ATOM 517 N PHE A 34 6.397 1.342 -6.307 1.00 0.00 N ATOM 518 CA PHE A 34 4.924 1.649 -6.332 1.00 0.00 C ATOM 519 C PHE A 34 4.550 2.037 -7.770 1.00 0.00 C ATOM 520 O PHE A 34 3.463 1.861 -8.254 1.00 0.00 O ATOM 521 CB PHE A 34 4.554 2.697 -5.308 1.00 0.00 C ATOM 522 CG PHE A 34 4.595 2.033 -3.938 1.00 0.00 C ATOM 523 CD1 PHE A 34 4.115 0.742 -3.721 1.00 0.00 C ATOM 524 CD2 PHE A 34 5.126 2.739 -2.868 1.00 0.00 C ATOM 525 CE1 PHE A 34 4.143 0.132 -2.447 1.00 0.00 C ATOM 526 CE2 PHE A 34 5.160 2.130 -1.592 1.00 0.00 C ATOM 527 CZ PHE A 34 4.675 0.845 -1.380 1.00 0.00 C ATOM 0 H PHE A 34 7.004 2.083 -5.958 1.00 0.00 H new ATOM 0 HA PHE A 34 4.344 0.772 -6.046 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.250 3.535 -5.349 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.561 3.097 -5.511 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.708 0.190 -4.555 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.508 3.740 -3.008 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.759 -0.867 -2.306 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.574 2.679 -0.759 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.711 0.405 -0.395 1.00 0.00 H new ATOM 537 N ASN A 35 5.512 2.581 -8.453 1.00 0.00 N ATOM 538 CA ASN A 35 5.381 3.031 -9.856 1.00 0.00 C ATOM 539 C ASN A 35 5.089 1.800 -10.737 1.00 0.00 C ATOM 540 O ASN A 35 4.296 1.925 -11.632 1.00 0.00 O ATOM 541 CB ASN A 35 6.642 3.703 -10.393 1.00 0.00 C ATOM 542 CG ASN A 35 6.289 4.518 -11.660 1.00 0.00 C ATOM 543 OD1 ASN A 35 5.950 3.980 -12.698 1.00 0.00 O ATOM 544 ND2 ASN A 35 6.373 5.823 -11.569 1.00 0.00 N ATOM 0 H ASN A 35 6.442 2.739 -8.065 1.00 0.00 H new ATOM 0 HA ASN A 35 4.576 3.766 -9.884 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.070 4.357 -9.634 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.396 2.952 -10.629 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.152 6.406 -12.377 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.659 6.256 -10.691 1.00 0.00 H new ATOM 551 N GLN A 36 5.731 0.725 -10.406 1.00 0.00 N ATOM 552 CA GLN A 36 5.566 -0.578 -11.091 1.00 0.00 C ATOM 553 C GLN A 36 4.124 -0.777 -11.631 1.00 0.00 C ATOM 554 O GLN A 36 3.882 -1.366 -12.660 1.00 0.00 O ATOM 555 CB GLN A 36 5.715 -1.649 -9.987 1.00 0.00 C ATOM 556 CG GLN A 36 7.174 -1.938 -9.727 1.00 0.00 C ATOM 557 CD GLN A 36 7.860 -2.502 -10.986 1.00 0.00 C ATOM 558 OE1 GLN A 36 7.496 -3.551 -11.458 1.00 0.00 O ATOM 559 NE2 GLN A 36 8.834 -1.809 -11.521 1.00 0.00 N ATOM 0 H GLN A 36 6.405 0.697 -9.641 1.00 0.00 H new ATOM 0 HA GLN A 36 6.280 -0.636 -11.912 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.237 -1.304 -9.070 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.205 -2.564 -10.288 1.00 0.00 H new ATOM 0 HG2 GLN A 36 7.679 -1.024 -9.412 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.266 -2.651 -8.908 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.121 -0.925 -11.101 1.00 0.00 H new ATOM 0 HE22 GLN A 36 9.305 -2.153 -12.358 1.00 0.00 H new ATOM 568 N PHE A 37 3.217 -0.252 -10.861 1.00 0.00 N ATOM 569 CA PHE A 37 1.717 -0.273 -11.084 1.00 0.00 C ATOM 570 C PHE A 37 1.163 0.893 -11.902 1.00 0.00 C ATOM 571 O PHE A 37 1.243 2.048 -11.526 1.00 0.00 O ATOM 572 CB PHE A 37 1.072 -0.388 -9.665 1.00 0.00 C ATOM 573 CG PHE A 37 1.628 -1.695 -9.098 1.00 0.00 C ATOM 574 CD1 PHE A 37 1.120 -2.930 -9.554 1.00 0.00 C ATOM 575 CD2 PHE A 37 2.644 -1.685 -8.138 1.00 0.00 C ATOM 576 CE1 PHE A 37 1.653 -4.123 -9.033 1.00 0.00 C ATOM 577 CE2 PHE A 37 3.188 -2.851 -7.607 1.00 0.00 C ATOM 578 CZ PHE A 37 2.669 -4.078 -8.078 1.00 0.00 C ATOM 0 H PHE A 37 3.469 0.239 -10.003 1.00 0.00 H new ATOM 0 HA PHE A 37 1.458 -1.125 -11.713 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.339 0.462 -9.037 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.016 -0.412 -9.724 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.333 -2.959 -10.293 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.022 -0.734 -7.794 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.275 -5.076 -9.373 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.973 -2.819 -6.866 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.068 -5.003 -7.689 1.00 0.00 H new ATOM 588 N PRO A 38 0.573 0.589 -13.061 1.00 0.00 N ATOM 589 CA PRO A 38 -0.032 1.569 -14.001 1.00 0.00 C ATOM 590 C PRO A 38 -1.115 2.372 -13.229 1.00 0.00 C ATOM 591 O PRO A 38 -2.165 1.883 -12.838 1.00 0.00 O ATOM 592 CB PRO A 38 -0.704 0.749 -15.094 1.00 0.00 C ATOM 593 CG PRO A 38 -0.780 -0.709 -14.582 1.00 0.00 C ATOM 594 CD PRO A 38 0.413 -0.778 -13.621 1.00 0.00 C ATOM 0 HA PRO A 38 0.706 2.256 -14.416 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.701 1.135 -15.308 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.135 0.803 -16.022 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.723 -0.914 -14.075 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.691 -1.431 -15.394 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.233 -1.505 -12.829 1.00 0.00 H new ATOM 0 HD3 PRO A 38 1.316 -1.093 -14.144 1.00 0.00 H new ATOM 602 N GLY A 39 -0.803 3.634 -13.028 1.00 0.00 N ATOM 603 CA GLY A 39 -1.745 4.518 -12.305 1.00 0.00 C ATOM 604 C GLY A 39 -1.128 5.055 -10.999 1.00 0.00 C ATOM 605 O GLY A 39 -1.703 5.970 -10.477 1.00 0.00 O ATOM 0 H GLY A 39 0.062 4.078 -13.336 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.026 5.354 -12.946 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.659 3.969 -12.078 1.00 0.00 H new ATOM 609 N PHE A 40 -0.061 4.462 -10.605 1.00 0.00 N ATOM 610 CA PHE A 40 0.727 4.796 -9.390 1.00 0.00 C ATOM 611 C PHE A 40 0.424 6.248 -9.084 1.00 0.00 C ATOM 612 O PHE A 40 0.695 7.051 -9.961 1.00 0.00 O ATOM 613 CB PHE A 40 2.226 4.702 -9.750 1.00 0.00 C ATOM 614 CG PHE A 40 3.022 5.772 -9.058 1.00 0.00 C ATOM 615 CD1 PHE A 40 3.150 5.689 -7.662 1.00 0.00 C ATOM 616 CD2 PHE A 40 3.632 6.835 -9.752 1.00 0.00 C ATOM 617 CE1 PHE A 40 3.892 6.684 -7.003 1.00 0.00 C ATOM 618 CE2 PHE A 40 4.372 7.825 -9.094 1.00 0.00 C ATOM 619 CZ PHE A 40 4.501 7.745 -7.710 1.00 0.00 C ATOM 0 H PHE A 40 0.340 3.681 -11.124 1.00 0.00 H new ATOM 0 HA PHE A 40 0.491 4.135 -8.556 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.609 3.721 -9.468 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.350 4.794 -10.829 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.691 4.882 -7.110 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.526 6.888 -10.825 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.999 6.637 -5.929 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.832 8.631 -9.647 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.067 8.494 -7.177 1.00 0.00 H new ATOM 629 N LYS A 41 -0.119 6.549 -7.952 1.00 0.00 N ATOM 630 CA LYS A 41 -0.473 7.974 -7.731 1.00 0.00 C ATOM 631 C LYS A 41 0.262 8.661 -6.603 1.00 0.00 C ATOM 632 O LYS A 41 0.941 9.657 -6.836 1.00 0.00 O ATOM 633 CB LYS A 41 -2.002 8.003 -7.505 1.00 0.00 C ATOM 634 CG LYS A 41 -2.438 9.126 -6.596 1.00 0.00 C ATOM 635 CD LYS A 41 -1.831 10.479 -7.001 1.00 0.00 C ATOM 636 CE LYS A 41 -2.845 11.418 -7.618 1.00 0.00 C ATOM 637 NZ LYS A 41 -2.236 12.025 -8.852 1.00 0.00 N ATOM 0 H LYS A 41 -0.330 5.902 -7.192 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.162 8.546 -8.605 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.505 8.104 -8.467 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.320 7.052 -7.078 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.525 9.200 -6.611 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.148 8.893 -5.571 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.392 10.952 -6.123 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.021 10.310 -7.710 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.758 10.878 -7.871 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.122 12.198 -6.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.918 12.675 -9.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.376 12.549 -8.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.992 11.271 -9.526 1.00 0.00 H new ATOM 651 N GLU A 42 0.154 8.213 -5.403 1.00 0.00 N ATOM 652 CA GLU A 42 0.820 8.887 -4.277 1.00 0.00 C ATOM 653 C GLU A 42 1.541 7.808 -3.451 1.00 0.00 C ATOM 654 O GLU A 42 1.086 6.703 -3.315 1.00 0.00 O ATOM 655 CB GLU A 42 -0.151 9.719 -3.434 1.00 0.00 C ATOM 656 CG GLU A 42 0.078 9.559 -1.938 1.00 0.00 C ATOM 657 CD GLU A 42 -0.774 10.614 -1.216 1.00 0.00 C ATOM 658 OE1 GLU A 42 -1.249 11.557 -1.824 1.00 0.00 O ATOM 659 OE2 GLU A 42 -0.915 10.408 -0.018 1.00 0.00 O ATOM 0 H GLU A 42 -0.383 7.385 -5.146 1.00 0.00 H new ATOM 0 HA GLU A 42 1.544 9.609 -4.655 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.048 10.771 -3.702 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.174 9.428 -3.673 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.201 8.556 -1.614 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.133 9.690 -1.697 1.00 0.00 H new ATOM 666 N VAL A 43 2.671 8.198 -2.932 1.00 0.00 N ATOM 667 CA VAL A 43 3.564 7.361 -2.135 1.00 0.00 C ATOM 668 C VAL A 43 4.287 8.280 -1.149 1.00 0.00 C ATOM 669 O VAL A 43 4.942 9.217 -1.536 1.00 0.00 O ATOM 670 CB VAL A 43 4.610 6.625 -2.987 1.00 0.00 C ATOM 671 CG1 VAL A 43 5.646 5.940 -2.072 1.00 0.00 C ATOM 672 CG2 VAL A 43 3.898 5.574 -3.828 1.00 0.00 C ATOM 0 H VAL A 43 3.023 9.148 -3.050 1.00 0.00 H new ATOM 0 HA VAL A 43 2.969 6.597 -1.635 1.00 0.00 H new ATOM 0 HB VAL A 43 5.127 7.335 -3.632 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.384 5.420 -2.683 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.145 6.692 -1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.142 5.223 -1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.627 5.042 -4.439 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.389 4.867 -3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.167 6.060 -4.475 1.00 0.00 H new ATOM 682 N ARG A 44 4.066 7.937 0.069 1.00 0.00 N ATOM 683 CA ARG A 44 4.579 8.677 1.264 1.00 0.00 C ATOM 684 C ARG A 44 5.546 7.737 2.010 1.00 0.00 C ATOM 685 O ARG A 44 5.103 6.992 2.831 1.00 0.00 O ATOM 686 CB ARG A 44 3.454 9.001 2.235 1.00 0.00 C ATOM 687 CG ARG A 44 3.871 10.190 3.098 1.00 0.00 C ATOM 688 CD ARG A 44 4.019 11.452 2.232 1.00 0.00 C ATOM 689 NE ARG A 44 3.272 11.307 0.943 1.00 0.00 N ATOM 690 CZ ARG A 44 2.561 12.315 0.494 1.00 0.00 C ATOM 691 NH1 ARG A 44 1.641 12.879 1.244 1.00 0.00 N ATOM 692 NH2 ARG A 44 2.772 12.755 -0.704 1.00 0.00 N ATOM 0 H ARG A 44 3.512 7.117 0.315 1.00 0.00 H new ATOM 0 HA ARG A 44 5.051 9.601 0.929 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.540 9.234 1.689 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.238 8.137 2.863 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.128 10.361 3.877 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.814 9.972 3.599 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.645 12.318 2.778 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.074 11.635 2.027 1.00 0.00 H new ATOM 0 HE ARG A 44 3.315 10.433 0.418 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.471 12.534 2.189 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.096 13.662 0.881 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.485 12.319 -1.289 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.226 13.538 -1.063 1.00 0.00 H new ATOM 706 N LEU A 45 6.767 7.874 1.628 1.00 0.00 N ATOM 707 CA LEU A 45 7.914 7.109 2.191 1.00 0.00 C ATOM 708 C LEU A 45 9.092 8.100 2.304 1.00 0.00 C ATOM 709 O LEU A 45 9.815 8.228 1.354 1.00 0.00 O ATOM 710 CB LEU A 45 8.267 6.021 1.181 1.00 0.00 C ATOM 711 CG LEU A 45 9.289 4.999 1.737 1.00 0.00 C ATOM 712 CD1 LEU A 45 10.660 5.650 1.953 1.00 0.00 C ATOM 713 CD2 LEU A 45 8.755 4.373 3.009 1.00 0.00 C ATOM 0 H LEU A 45 7.043 8.530 0.897 1.00 0.00 H new ATOM 0 HA LEU A 45 7.689 6.665 3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.358 5.496 0.886 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.674 6.484 0.282 1.00 0.00 H new ATOM 0 HG LEU A 45 9.429 4.206 1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.357 4.909 2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.034 6.035 1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.565 6.470 2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.480 3.655 3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.584 5.151 3.753 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.816 3.862 2.797 1.00 0.00 H new ATOM 725 N VAL A 46 9.261 8.787 3.385 1.00 0.00 N ATOM 726 CA VAL A 46 10.365 9.800 3.454 1.00 0.00 C ATOM 727 C VAL A 46 11.611 9.227 4.115 1.00 0.00 C ATOM 728 O VAL A 46 11.532 8.843 5.252 1.00 0.00 O ATOM 729 CB VAL A 46 9.803 11.067 4.176 1.00 0.00 C ATOM 730 CG1 VAL A 46 9.202 10.788 5.545 1.00 0.00 C ATOM 731 CG2 VAL A 46 10.881 12.167 4.224 1.00 0.00 C ATOM 0 H VAL A 46 8.692 8.702 4.228 1.00 0.00 H new ATOM 0 HA VAL A 46 10.691 10.084 2.453 1.00 0.00 H new ATOM 0 HB VAL A 46 8.961 11.422 3.581 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.835 11.719 5.978 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.375 10.085 5.443 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.964 10.360 6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.481 13.046 4.729 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.751 11.800 4.769 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.174 12.433 3.209 1.00 0.00 H new ATOM 741 N PRO A 47 12.711 9.176 3.416 1.00 0.00 N ATOM 742 CA PRO A 47 14.018 8.675 3.898 1.00 0.00 C ATOM 743 C PRO A 47 14.261 9.028 5.366 1.00 0.00 C ATOM 744 O PRO A 47 14.954 8.262 6.022 1.00 0.00 O ATOM 745 CB PRO A 47 14.913 9.441 2.920 1.00 0.00 C ATOM 746 CG PRO A 47 14.149 9.204 1.578 1.00 0.00 C ATOM 747 CD PRO A 47 12.738 9.641 2.027 1.00 0.00 C ATOM 0 HA PRO A 47 14.159 7.594 3.902 1.00 0.00 H new ATOM 0 HB2 PRO A 47 14.989 10.499 3.171 1.00 0.00 H new ATOM 0 HB3 PRO A 47 15.929 9.046 2.893 1.00 0.00 H new ATOM 0 HG2 PRO A 47 14.537 9.810 0.759 1.00 0.00 H new ATOM 0 HG3 PRO A 47 14.184 8.165 1.251 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.601 10.720 1.954 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.955 9.179 1.425 1.00 0.00 H new ATOM 755 N GLY A 48 13.729 10.114 5.889 1.00 0.00 N ATOM 756 CA GLY A 48 14.011 10.345 7.349 1.00 0.00 C ATOM 757 C GLY A 48 13.316 9.166 8.073 1.00 0.00 C ATOM 758 O GLY A 48 13.858 8.501 8.919 1.00 0.00 O ATOM 0 H GLY A 48 13.152 10.806 5.411 1.00 0.00 H new ATOM 0 HA2 GLY A 48 15.082 10.356 7.549 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.614 11.304 7.682 1.00 0.00 H new ATOM 762 N ARG A 49 12.088 8.953 7.646 1.00 0.00 N ATOM 763 CA ARG A 49 11.238 7.855 8.140 1.00 0.00 C ATOM 764 C ARG A 49 11.879 6.531 7.637 1.00 0.00 C ATOM 765 O ARG A 49 12.525 5.924 8.440 1.00 0.00 O ATOM 766 CB ARG A 49 9.804 7.906 7.576 1.00 0.00 C ATOM 767 CG ARG A 49 9.111 9.081 8.252 1.00 0.00 C ATOM 768 CD ARG A 49 8.388 8.499 9.489 1.00 0.00 C ATOM 769 NE ARG A 49 9.339 8.264 10.612 1.00 0.00 N ATOM 770 CZ ARG A 49 9.419 9.080 11.633 1.00 0.00 C ATOM 771 NH1 ARG A 49 8.355 9.381 12.338 1.00 0.00 N ATOM 772 NH2 ARG A 49 10.572 9.581 11.934 1.00 0.00 N ATOM 0 H ARG A 49 11.635 9.534 6.941 1.00 0.00 H new ATOM 0 HA ARG A 49 11.176 7.933 9.225 1.00 0.00 H new ATOM 0 HB2 ARG A 49 9.818 8.035 6.494 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.275 6.975 7.779 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.833 9.843 8.545 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.402 9.558 7.575 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.604 9.185 9.811 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.901 7.562 9.220 1.00 0.00 H new ATOM 0 HE ARG A 49 9.945 7.444 10.585 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.450 8.978 12.094 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.432 10.018 13.131 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.394 9.338 11.381 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.660 10.219 12.725 1.00 0.00 H new ATOM 786 N HIS A 50 11.616 6.225 6.394 1.00 0.00 N ATOM 787 CA HIS A 50 12.044 4.955 5.668 1.00 0.00 C ATOM 788 C HIS A 50 11.198 3.827 6.326 1.00 0.00 C ATOM 789 O HIS A 50 11.462 2.674 6.134 1.00 0.00 O ATOM 790 CB HIS A 50 13.519 4.613 5.743 1.00 0.00 C ATOM 791 CG HIS A 50 13.980 4.180 7.120 1.00 0.00 C ATOM 792 ND1 HIS A 50 15.051 4.827 7.720 1.00 0.00 N ATOM 793 CD2 HIS A 50 13.617 3.252 8.045 1.00 0.00 C ATOM 794 CE1 HIS A 50 15.279 4.284 8.929 1.00 0.00 C ATOM 795 NE2 HIS A 50 14.424 3.303 9.188 1.00 0.00 N ATOM 0 H HIS A 50 11.077 6.849 5.793 1.00 0.00 H new ATOM 0 HA HIS A 50 11.877 5.087 4.599 1.00 0.00 H new ATOM 0 HB2 HIS A 50 13.734 3.816 5.031 1.00 0.00 H new ATOM 0 HB3 HIS A 50 14.100 5.482 5.433 1.00 0.00 H new ATOM 0 HD2 HIS A 50 12.801 2.557 7.913 1.00 0.00 H new ATOM 0 HE1 HIS A 50 16.059 4.606 9.603 1.00 0.00 H new ATOM 0 HE2 HIS A 50 14.368 2.722 10.024 1.00 0.00 H new ATOM 804 N ASP A 51 10.207 4.251 7.089 1.00 0.00 N ATOM 805 CA ASP A 51 9.384 3.227 7.779 1.00 0.00 C ATOM 806 C ASP A 51 7.888 3.454 7.796 1.00 0.00 C ATOM 807 O ASP A 51 7.160 2.637 8.288 1.00 0.00 O ATOM 808 CB ASP A 51 9.856 3.112 9.247 1.00 0.00 C ATOM 809 CG ASP A 51 10.246 1.680 9.568 1.00 0.00 C ATOM 810 OD1 ASP A 51 9.411 0.789 9.406 1.00 0.00 O ATOM 811 OD2 ASP A 51 11.357 1.430 9.977 1.00 0.00 O ATOM 0 H ASP A 51 9.949 5.224 7.252 1.00 0.00 H new ATOM 0 HA ASP A 51 9.536 2.321 7.193 1.00 0.00 H new ATOM 0 HB2 ASP A 51 10.706 3.773 9.415 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.061 3.438 9.918 1.00 0.00 H new ATOM 816 N ILE A 52 7.341 4.523 7.247 1.00 0.00 N ATOM 817 CA ILE A 52 5.899 4.798 7.193 1.00 0.00 C ATOM 818 C ILE A 52 5.579 5.025 5.697 1.00 0.00 C ATOM 819 O ILE A 52 6.004 5.980 5.104 1.00 0.00 O ATOM 820 CB ILE A 52 5.417 5.959 8.029 1.00 0.00 C ATOM 821 CG1 ILE A 52 6.015 7.303 7.610 1.00 0.00 C ATOM 822 CG2 ILE A 52 5.766 5.680 9.507 1.00 0.00 C ATOM 823 CD1 ILE A 52 4.941 8.028 6.798 1.00 0.00 C ATOM 0 H ILE A 52 7.900 5.255 6.808 1.00 0.00 H new ATOM 0 HA ILE A 52 5.370 3.952 7.631 1.00 0.00 H new ATOM 0 HB ILE A 52 4.340 6.041 7.880 1.00 0.00 H new ATOM 0 HG12 ILE A 52 6.301 7.889 8.484 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.917 7.157 7.015 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.424 6.510 10.125 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.275 4.762 9.830 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.845 5.571 9.612 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.321 8.997 6.475 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.680 7.431 5.924 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.055 8.174 7.415 1.00 0.00 H new ATOM 835 N ALA A 53 4.838 4.085 5.138 1.00 0.00 N ATOM 836 CA ALA A 53 4.489 4.105 3.713 1.00 0.00 C ATOM 837 C ALA A 53 2.964 4.297 3.545 1.00 0.00 C ATOM 838 O ALA A 53 2.157 3.485 4.014 1.00 0.00 O ATOM 839 CB ALA A 53 4.782 2.706 3.131 1.00 0.00 C ATOM 0 H ALA A 53 4.459 3.287 5.648 1.00 0.00 H new ATOM 0 HA ALA A 53 5.049 4.903 3.226 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.531 2.693 2.070 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.840 2.474 3.256 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.183 1.961 3.655 1.00 0.00 H new ATOM 845 N PHE A 54 2.680 5.383 2.898 1.00 0.00 N ATOM 846 CA PHE A 54 1.289 5.809 2.495 1.00 0.00 C ATOM 847 C PHE A 54 1.202 5.858 0.946 1.00 0.00 C ATOM 848 O PHE A 54 1.644 6.747 0.266 1.00 0.00 O ATOM 849 CB PHE A 54 0.905 7.197 2.974 1.00 0.00 C ATOM 850 CG PHE A 54 -0.603 7.442 2.928 1.00 0.00 C ATOM 851 CD1 PHE A 54 -1.216 7.549 1.685 1.00 0.00 C ATOM 852 CD2 PHE A 54 -1.291 7.547 4.130 1.00 0.00 C ATOM 853 CE1 PHE A 54 -2.599 7.778 1.660 1.00 0.00 C ATOM 854 CE2 PHE A 54 -2.677 7.775 4.095 1.00 0.00 C ATOM 855 CZ PHE A 54 -3.309 7.890 2.860 1.00 0.00 C ATOM 0 H PHE A 54 3.398 6.047 2.607 1.00 0.00 H new ATOM 0 HA PHE A 54 0.618 5.081 2.950 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.260 7.335 3.995 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.409 7.942 2.358 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.647 7.459 0.771 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.771 7.455 5.072 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.115 7.868 0.716 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.243 7.860 5.011 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.373 8.070 2.828 1.00 0.00 H new ATOM 865 N VAL A 55 0.609 4.783 0.420 1.00 0.00 N ATOM 866 CA VAL A 55 0.490 4.521 -1.017 1.00 0.00 C ATOM 867 C VAL A 55 -0.947 4.450 -1.519 1.00 0.00 C ATOM 868 O VAL A 55 -1.768 3.578 -1.323 1.00 0.00 O ATOM 869 CB VAL A 55 1.113 3.112 -1.245 1.00 0.00 C ATOM 870 CG1 VAL A 55 0.793 2.703 -2.654 1.00 0.00 C ATOM 871 CG2 VAL A 55 2.625 3.260 -0.994 1.00 0.00 C ATOM 0 H VAL A 55 0.188 4.053 0.995 1.00 0.00 H new ATOM 0 HA VAL A 55 0.978 5.337 -1.550 1.00 0.00 H new ATOM 0 HB VAL A 55 0.723 2.342 -0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.215 1.717 -2.851 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.288 2.668 -2.786 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.220 3.426 -3.349 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.114 2.297 -1.141 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.040 3.988 -1.691 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.793 3.600 0.028 1.00 0.00 H new ATOM 881 N GLU A 56 -1.227 5.481 -2.258 1.00 0.00 N ATOM 882 CA GLU A 56 -2.520 5.777 -2.938 1.00 0.00 C ATOM 883 C GLU A 56 -2.310 5.473 -4.441 1.00 0.00 C ATOM 884 O GLU A 56 -1.607 6.115 -5.164 1.00 0.00 O ATOM 885 CB GLU A 56 -2.868 7.248 -2.769 1.00 0.00 C ATOM 886 CG GLU A 56 -4.148 7.570 -3.575 1.00 0.00 C ATOM 887 CD GLU A 56 -4.284 9.096 -3.696 1.00 0.00 C ATOM 888 OE1 GLU A 56 -3.920 9.798 -2.761 1.00 0.00 O ATOM 889 OE2 GLU A 56 -4.743 9.563 -4.714 1.00 0.00 O ATOM 0 H GLU A 56 -0.532 6.207 -2.434 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.328 5.180 -2.516 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.022 7.478 -1.715 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.042 7.870 -3.114 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.096 7.116 -4.564 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.023 7.151 -3.078 1.00 0.00 H new ATOM 896 N PHE A 57 -2.934 4.401 -4.848 1.00 0.00 N ATOM 897 CA PHE A 57 -2.831 3.810 -6.199 1.00 0.00 C ATOM 898 C PHE A 57 -4.214 4.002 -6.875 1.00 0.00 C ATOM 899 O PHE A 57 -5.144 3.452 -6.367 1.00 0.00 O ATOM 900 CB PHE A 57 -2.761 2.269 -6.085 1.00 0.00 C ATOM 901 CG PHE A 57 -1.409 1.683 -5.873 1.00 0.00 C ATOM 902 CD1 PHE A 57 -0.401 1.592 -6.839 1.00 0.00 C ATOM 903 CD2 PHE A 57 -1.152 1.147 -4.594 1.00 0.00 C ATOM 904 CE1 PHE A 57 0.821 0.983 -6.553 1.00 0.00 C ATOM 905 CE2 PHE A 57 0.055 0.536 -4.292 1.00 0.00 C ATOM 906 CZ PHE A 57 1.025 0.461 -5.279 1.00 0.00 C ATOM 0 H PHE A 57 -3.561 3.876 -4.238 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.977 4.251 -6.714 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.402 1.958 -5.260 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -3.181 1.839 -6.994 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.572 2.001 -7.824 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.914 1.214 -3.832 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.593 0.918 -7.305 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.236 0.127 -3.309 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.967 -0.017 -5.053 1.00 0.00 H new ATOM 916 N ASP A 58 -4.168 4.769 -7.888 1.00 0.00 N ATOM 917 CA ASP A 58 -5.390 5.065 -8.716 1.00 0.00 C ATOM 918 C ASP A 58 -6.397 3.924 -8.625 1.00 0.00 C ATOM 919 O ASP A 58 -7.574 4.181 -8.654 1.00 0.00 O ATOM 920 CB ASP A 58 -4.896 5.160 -10.167 1.00 0.00 C ATOM 921 CG ASP A 58 -5.822 6.019 -11.030 1.00 0.00 C ATOM 922 OD1 ASP A 58 -6.759 5.487 -11.597 1.00 0.00 O ATOM 923 OD2 ASP A 58 -5.557 7.202 -11.090 1.00 0.00 O ATOM 0 H ASP A 58 -3.319 5.233 -8.211 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.878 5.976 -8.370 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.891 5.582 -10.181 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.827 4.159 -10.593 1.00 0.00 H new ATOM 928 N ASN A 59 -5.993 2.675 -8.500 1.00 0.00 N ATOM 929 CA ASN A 59 -7.008 1.601 -8.372 1.00 0.00 C ATOM 930 C ASN A 59 -6.559 0.503 -7.377 1.00 0.00 C ATOM 931 O ASN A 59 -5.416 0.280 -7.130 1.00 0.00 O ATOM 932 CB ASN A 59 -7.428 1.007 -9.715 1.00 0.00 C ATOM 933 CG ASN A 59 -6.372 0.062 -10.263 1.00 0.00 C ATOM 934 OD1 ASN A 59 -5.260 -0.056 -9.793 1.00 0.00 O ATOM 935 ND2 ASN A 59 -6.702 -0.652 -11.305 1.00 0.00 N ATOM 0 H ASN A 59 -5.020 2.369 -8.482 1.00 0.00 H new ATOM 0 HA ASN A 59 -7.898 2.077 -7.961 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.370 0.472 -9.598 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.604 1.811 -10.430 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -6.028 -1.299 -11.714 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.634 -0.563 -11.710 1.00 0.00 H new ATOM 942 N GLU A 60 -7.565 -0.148 -6.838 1.00 0.00 N ATOM 943 CA GLU A 60 -7.391 -1.250 -5.849 1.00 0.00 C ATOM 944 C GLU A 60 -6.868 -2.511 -6.608 1.00 0.00 C ATOM 945 O GLU A 60 -6.312 -3.401 -6.027 1.00 0.00 O ATOM 946 CB GLU A 60 -8.644 -1.558 -5.066 1.00 0.00 C ATOM 947 CG GLU A 60 -9.801 -0.617 -5.351 1.00 0.00 C ATOM 948 CD GLU A 60 -10.532 -1.073 -6.630 1.00 0.00 C ATOM 949 OE1 GLU A 60 -10.879 -2.251 -6.705 1.00 0.00 O ATOM 950 OE2 GLU A 60 -10.711 -0.218 -7.482 1.00 0.00 O ATOM 0 H GLU A 60 -8.540 0.054 -7.058 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.666 -0.927 -5.102 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.957 -2.578 -5.288 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.413 -1.520 -4.001 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.492 -0.608 -4.508 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.433 0.402 -5.473 1.00 0.00 H new ATOM 957 N VAL A 61 -7.011 -2.637 -7.903 1.00 0.00 N ATOM 958 CA VAL A 61 -6.499 -3.825 -8.657 1.00 0.00 C ATOM 959 C VAL A 61 -4.946 -3.733 -8.606 1.00 0.00 C ATOM 960 O VAL A 61 -4.213 -4.651 -8.315 1.00 0.00 O ATOM 961 CB VAL A 61 -6.915 -3.731 -10.123 1.00 0.00 C ATOM 962 CG1 VAL A 61 -6.463 -4.946 -10.932 1.00 0.00 C ATOM 963 CG2 VAL A 61 -8.455 -3.695 -10.164 1.00 0.00 C ATOM 0 H VAL A 61 -7.477 -1.943 -8.488 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.887 -4.749 -8.228 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.455 -2.842 -10.554 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.782 -4.833 -11.968 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.377 -5.025 -10.894 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.907 -5.848 -10.512 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.790 -3.628 -11.199 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.852 -4.604 -9.712 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.814 -2.828 -9.610 1.00 0.00 H new ATOM 973 N GLN A 62 -4.519 -2.523 -8.913 1.00 0.00 N ATOM 974 CA GLN A 62 -3.057 -2.264 -8.880 1.00 0.00 C ATOM 975 C GLN A 62 -2.639 -2.033 -7.419 1.00 0.00 C ATOM 976 O GLN A 62 -1.500 -2.320 -7.081 1.00 0.00 O ATOM 977 CB GLN A 62 -2.567 -1.081 -9.726 1.00 0.00 C ATOM 978 CG GLN A 62 -2.547 0.191 -8.851 1.00 0.00 C ATOM 979 CD GLN A 62 -2.634 1.473 -9.697 1.00 0.00 C ATOM 980 OE1 GLN A 62 -3.664 2.109 -9.849 1.00 0.00 O ATOM 981 NE2 GLN A 62 -1.520 1.868 -10.263 1.00 0.00 N ATOM 0 H GLN A 62 -5.108 -1.733 -9.176 1.00 0.00 H new ATOM 0 HA GLN A 62 -2.593 -3.145 -9.325 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.570 -1.285 -10.116 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -3.222 -0.936 -10.585 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.381 0.162 -8.150 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.633 0.209 -8.258 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.663 1.331 -10.131 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.510 2.712 -10.835 1.00 0.00 H new ATOM 990 N ALA A 63 -3.475 -1.548 -6.580 1.00 0.00 N ATOM 991 CA ALA A 63 -3.037 -1.340 -5.163 1.00 0.00 C ATOM 992 C ALA A 63 -2.913 -2.748 -4.548 1.00 0.00 C ATOM 993 O ALA A 63 -2.058 -2.986 -3.739 1.00 0.00 O ATOM 994 CB ALA A 63 -4.050 -0.505 -4.392 1.00 0.00 C ATOM 0 H ALA A 63 -4.437 -1.283 -6.790 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.093 -0.798 -5.119 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.706 -0.370 -3.367 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.157 0.469 -4.869 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.013 -1.015 -4.387 1.00 0.00 H new ATOM 1000 N GLY A 64 -3.805 -3.572 -5.014 1.00 0.00 N ATOM 1001 CA GLY A 64 -3.894 -5.010 -4.576 1.00 0.00 C ATOM 1002 C GLY A 64 -2.717 -5.691 -5.225 1.00 0.00 C ATOM 1003 O GLY A 64 -2.058 -6.579 -4.691 1.00 0.00 O ATOM 0 H GLY A 64 -4.506 -3.307 -5.706 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.849 -5.095 -3.490 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.834 -5.461 -4.893 1.00 0.00 H new ATOM 1007 N ALA A 65 -2.374 -5.306 -6.428 1.00 0.00 N ATOM 1008 CA ALA A 65 -1.241 -5.885 -7.174 1.00 0.00 C ATOM 1009 C ALA A 65 0.043 -5.630 -6.358 1.00 0.00 C ATOM 1010 O ALA A 65 0.757 -6.516 -5.975 1.00 0.00 O ATOM 1011 CB ALA A 65 -1.164 -5.213 -8.539 1.00 0.00 C ATOM 0 H ALA A 65 -2.867 -4.574 -6.939 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.364 -6.958 -7.323 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.330 -5.631 -9.104 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.093 -5.386 -9.082 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.014 -4.141 -8.409 1.00 0.00 H new ATOM 1017 N ALA A 66 0.320 -4.380 -6.082 1.00 0.00 N ATOM 1018 CA ALA A 66 1.489 -3.918 -5.292 1.00 0.00 C ATOM 1019 C ALA A 66 1.466 -4.572 -3.915 1.00 0.00 C ATOM 1020 O ALA A 66 2.424 -5.158 -3.422 1.00 0.00 O ATOM 1021 CB ALA A 66 1.339 -2.407 -5.062 1.00 0.00 C ATOM 0 H ALA A 66 -0.268 -3.611 -6.402 1.00 0.00 H new ATOM 0 HA ALA A 66 2.408 -4.167 -5.823 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.187 -2.041 -4.483 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.308 -1.894 -6.023 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.416 -2.212 -4.517 1.00 0.00 H new ATOM 1027 N ARG A 67 0.367 -4.521 -3.241 1.00 0.00 N ATOM 1028 CA ARG A 67 0.202 -5.126 -1.890 1.00 0.00 C ATOM 1029 C ARG A 67 0.519 -6.624 -1.995 1.00 0.00 C ATOM 1030 O ARG A 67 1.430 -7.059 -1.358 1.00 0.00 O ATOM 1031 CB ARG A 67 -1.252 -4.897 -1.467 1.00 0.00 C ATOM 1032 CG ARG A 67 -1.505 -5.015 0.034 1.00 0.00 C ATOM 1033 CD ARG A 67 -0.302 -5.439 0.858 1.00 0.00 C ATOM 1034 NE ARG A 67 -0.762 -6.497 1.824 1.00 0.00 N ATOM 1035 CZ ARG A 67 -0.895 -6.220 3.094 1.00 0.00 C ATOM 1036 NH1 ARG A 67 -1.991 -5.644 3.535 1.00 0.00 N ATOM 1037 NH2 ARG A 67 0.070 -6.510 3.935 1.00 0.00 N ATOM 0 H ARG A 67 -0.475 -4.060 -3.586 1.00 0.00 H new ATOM 0 HA ARG A 67 0.870 -4.682 -1.151 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.560 -3.905 -1.797 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -1.885 -5.617 -1.986 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.859 -4.053 0.404 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.309 -5.733 0.196 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.487 -5.826 0.213 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.115 -4.586 1.394 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.971 -7.436 1.485 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.742 -5.411 2.885 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.091 -5.430 4.527 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.925 -6.952 3.597 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.035 -6.293 4.926 1.00 0.00 H new ATOM 1051 N ASP A 68 -0.191 -7.363 -2.791 1.00 0.00 N ATOM 1052 CA ASP A 68 0.060 -8.846 -2.954 1.00 0.00 C ATOM 1053 C ASP A 68 1.454 -9.159 -3.473 1.00 0.00 C ATOM 1054 O ASP A 68 1.991 -10.197 -3.157 1.00 0.00 O ATOM 1055 CB ASP A 68 -0.987 -9.506 -3.877 1.00 0.00 C ATOM 1056 CG ASP A 68 -1.700 -10.655 -3.129 1.00 0.00 C ATOM 1057 OD1 ASP A 68 -0.988 -11.386 -2.457 1.00 0.00 O ATOM 1058 OD2 ASP A 68 -2.902 -10.749 -3.259 1.00 0.00 O ATOM 0 H ASP A 68 -0.960 -7.006 -3.358 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.028 -9.264 -1.951 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.717 -8.764 -4.202 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.502 -9.891 -4.774 1.00 0.00 H new ATOM 1063 N ALA A 69 2.090 -8.337 -4.248 1.00 0.00 N ATOM 1064 CA ALA A 69 3.471 -8.644 -4.759 1.00 0.00 C ATOM 1065 C ALA A 69 4.449 -8.447 -3.585 1.00 0.00 C ATOM 1066 O ALA A 69 5.341 -9.265 -3.411 1.00 0.00 O ATOM 1067 CB ALA A 69 3.828 -7.742 -5.921 1.00 0.00 C ATOM 0 H ALA A 69 1.713 -7.443 -4.562 1.00 0.00 H new ATOM 0 HA ALA A 69 3.523 -9.668 -5.128 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.831 -7.983 -6.274 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.113 -7.891 -6.730 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.797 -6.702 -5.597 1.00 0.00 H new ATOM 1073 N LEU A 70 4.280 -7.394 -2.811 1.00 0.00 N ATOM 1074 CA LEU A 70 5.225 -7.190 -1.647 1.00 0.00 C ATOM 1075 C LEU A 70 4.347 -7.253 -0.372 1.00 0.00 C ATOM 1076 O LEU A 70 4.464 -6.409 0.509 1.00 0.00 O ATOM 1077 CB LEU A 70 5.984 -5.877 -1.765 1.00 0.00 C ATOM 1078 CG LEU A 70 5.042 -4.674 -1.980 1.00 0.00 C ATOM 1079 CD1 LEU A 70 5.505 -3.437 -1.192 1.00 0.00 C ATOM 1080 CD2 LEU A 70 5.049 -4.295 -3.453 1.00 0.00 C ATOM 0 H LEU A 70 3.555 -6.686 -2.924 1.00 0.00 H new ATOM 0 HA LEU A 70 5.998 -7.958 -1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.573 -5.718 -0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.686 -5.939 -2.596 1.00 0.00 H new ATOM 0 HG LEU A 70 4.051 -4.970 -1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.815 -2.612 -1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.524 -3.670 -0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.505 -3.151 -1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.385 -3.445 -3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.061 -4.027 -3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.705 -5.141 -4.048 1.00 0.00 H new ATOM 1092 N GLN A 71 3.509 -8.237 -0.322 1.00 0.00 N ATOM 1093 CA GLN A 71 2.560 -8.474 0.831 1.00 0.00 C ATOM 1094 C GLN A 71 3.207 -9.164 2.014 1.00 0.00 C ATOM 1095 O GLN A 71 2.634 -9.676 2.942 1.00 0.00 O ATOM 1096 CB GLN A 71 1.358 -9.235 0.278 1.00 0.00 C ATOM 1097 CG GLN A 71 1.321 -10.685 0.718 1.00 0.00 C ATOM 1098 CD GLN A 71 0.351 -10.859 1.902 1.00 0.00 C ATOM 1099 OE1 GLN A 71 -0.643 -10.153 1.975 1.00 0.00 O ATOM 1100 NE2 GLN A 71 0.576 -11.742 2.816 1.00 0.00 N ATOM 0 H GLN A 71 3.426 -8.932 -1.064 1.00 0.00 H new ATOM 0 HA GLN A 71 2.239 -7.517 1.243 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.442 -8.740 0.600 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.377 -9.192 -0.811 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.008 -11.317 -0.113 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.320 -11.010 1.007 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.405 -12.334 2.760 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.075 -11.848 3.594 1.00 0.00 H new ATOM 1109 N GLY A 72 4.519 -9.192 2.015 1.00 0.00 N ATOM 1110 CA GLY A 72 5.222 -9.849 3.136 1.00 0.00 C ATOM 1111 C GLY A 72 6.721 -9.498 3.021 1.00 0.00 C ATOM 1112 O GLY A 72 7.522 -10.385 3.152 1.00 0.00 O ATOM 0 H GLY A 72 5.117 -8.791 1.293 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.822 -9.508 4.091 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.078 -10.929 3.097 1.00 0.00 H new ATOM 1116 N PHE A 73 6.972 -8.254 2.788 1.00 0.00 N ATOM 1117 CA PHE A 73 8.384 -7.765 2.654 1.00 0.00 C ATOM 1118 C PHE A 73 9.054 -8.001 4.021 1.00 0.00 C ATOM 1119 O PHE A 73 9.163 -7.085 4.822 1.00 0.00 O ATOM 1120 CB PHE A 73 8.421 -6.303 2.237 1.00 0.00 C ATOM 1121 CG PHE A 73 9.669 -6.090 1.409 1.00 0.00 C ATOM 1122 CD1 PHE A 73 10.924 -6.404 1.962 1.00 0.00 C ATOM 1123 CD2 PHE A 73 9.596 -5.581 0.093 1.00 0.00 C ATOM 1124 CE1 PHE A 73 12.086 -6.218 1.219 1.00 0.00 C ATOM 1125 CE2 PHE A 73 10.785 -5.399 -0.638 1.00 0.00 C ATOM 1126 CZ PHE A 73 12.033 -5.716 -0.085 1.00 0.00 C ATOM 0 H PHE A 73 6.258 -7.533 2.681 1.00 0.00 H new ATOM 0 HA PHE A 73 8.921 -8.302 1.872 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.532 -6.048 1.661 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.429 -5.656 3.114 1.00 0.00 H new ATOM 0 HD1 PHE A 73 10.986 -6.791 2.968 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.641 -5.335 -0.346 1.00 0.00 H new ATOM 0 HE1 PHE A 73 13.042 -6.465 1.656 1.00 0.00 H new ATOM 0 HE2 PHE A 73 10.735 -5.008 -1.643 1.00 0.00 H new ATOM 0 HZ PHE A 73 12.939 -5.575 -0.656 1.00 0.00 H new ATOM 1136 N LYS A 74 9.478 -9.216 4.244 1.00 0.00 N ATOM 1137 CA LYS A 74 10.147 -9.642 5.487 1.00 0.00 C ATOM 1138 C LYS A 74 11.534 -8.976 5.630 1.00 0.00 C ATOM 1139 O LYS A 74 12.536 -9.546 5.249 1.00 0.00 O ATOM 1140 CB LYS A 74 10.327 -11.177 5.557 1.00 0.00 C ATOM 1141 CG LYS A 74 10.898 -11.618 4.227 1.00 0.00 C ATOM 1142 CD LYS A 74 12.109 -12.532 4.471 1.00 0.00 C ATOM 1143 CE LYS A 74 11.939 -13.833 3.712 1.00 0.00 C ATOM 1144 NZ LYS A 74 13.244 -14.546 3.730 1.00 0.00 N ATOM 0 H LYS A 74 9.375 -9.969 3.564 1.00 0.00 H new ATOM 0 HA LYS A 74 9.498 -9.327 6.304 1.00 0.00 H new ATOM 0 HB2 LYS A 74 10.996 -11.450 6.373 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.373 -11.669 5.749 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.139 -12.147 3.650 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.196 -10.749 3.640 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.023 -12.032 4.151 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.213 -12.734 5.537 1.00 0.00 H new ATOM 0 HE2 LYS A 74 11.163 -14.445 4.173 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.625 -13.638 2.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.156 -15.445 3.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 13.969 -13.955 3.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.522 -14.737 4.714 1.00 0.00 H new ATOM 1158 N ILE A 75 11.520 -7.800 6.173 1.00 0.00 N ATOM 1159 CA ILE A 75 12.782 -7.017 6.387 1.00 0.00 C ATOM 1160 C ILE A 75 13.843 -7.897 7.086 1.00 0.00 C ATOM 1161 O ILE A 75 15.004 -7.777 6.783 1.00 0.00 O ATOM 1162 CB ILE A 75 12.486 -5.860 7.325 1.00 0.00 C ATOM 1163 CG1 ILE A 75 11.399 -4.994 6.685 1.00 0.00 C ATOM 1164 CG2 ILE A 75 13.758 -5.016 7.438 1.00 0.00 C ATOM 1165 CD1 ILE A 75 11.184 -3.776 7.587 1.00 0.00 C ATOM 0 H ILE A 75 10.672 -7.328 6.489 1.00 0.00 H new ATOM 0 HA ILE A 75 13.147 -6.673 5.419 1.00 0.00 H new ATOM 0 HB ILE A 75 12.166 -6.221 8.302 1.00 0.00 H new ATOM 0 HG12 ILE A 75 11.699 -4.681 5.685 1.00 0.00 H new ATOM 0 HG13 ILE A 75 10.473 -5.559 6.578 1.00 0.00 H new ATOM 0 HG21 ILE A 75 13.578 -4.174 8.107 1.00 0.00 H new ATOM 0 HG22 ILE A 75 14.567 -5.629 7.836 1.00 0.00 H new ATOM 0 HG23 ILE A 75 14.036 -4.643 6.452 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.413 -3.137 7.157 1.00 0.00 H new ATOM 0 HD12 ILE A 75 10.871 -4.107 8.577 1.00 0.00 H new ATOM 0 HD13 ILE A 75 12.115 -3.216 7.670 1.00 0.00 H new ATOM 1177 N THR A 76 13.367 -8.720 7.971 1.00 0.00 N ATOM 1178 CA THR A 76 14.324 -9.614 8.703 1.00 0.00 C ATOM 1179 C THR A 76 13.801 -11.071 8.685 1.00 0.00 C ATOM 1180 O THR A 76 14.580 -11.954 8.443 1.00 0.00 O ATOM 1181 CB THR A 76 14.539 -9.123 10.141 1.00 0.00 C ATOM 1182 OG1 THR A 76 14.537 -7.709 10.209 1.00 0.00 O ATOM 1183 CG2 THR A 76 15.886 -9.636 10.658 1.00 0.00 C ATOM 0 H THR A 76 12.383 -8.819 8.222 1.00 0.00 H new ATOM 0 HA THR A 76 15.289 -9.585 8.198 1.00 0.00 H new ATOM 0 HB THR A 76 13.721 -9.504 10.752 1.00 0.00 H new ATOM 0 HG1 THR A 76 14.831 -7.424 11.099 1.00 0.00 H new ATOM 0 HG21 THR A 76 16.040 -9.288 11.679 1.00 0.00 H new ATOM 0 HG22 THR A 76 15.891 -10.726 10.641 1.00 0.00 H new ATOM 0 HG23 THR A 76 16.687 -9.260 10.022 1.00 0.00 H new ATOM 1191 N GLN A 77 12.543 -11.188 8.937 1.00 0.00 N ATOM 1192 CA GLN A 77 11.802 -12.488 8.976 1.00 0.00 C ATOM 1193 C GLN A 77 10.646 -12.281 9.987 1.00 0.00 C ATOM 1194 O GLN A 77 9.539 -12.699 9.761 1.00 0.00 O ATOM 1195 CB GLN A 77 12.651 -13.637 9.472 1.00 0.00 C ATOM 1196 CG GLN A 77 13.133 -14.422 8.242 1.00 0.00 C ATOM 1197 CD GLN A 77 12.967 -15.912 8.520 1.00 0.00 C ATOM 1198 OE1 GLN A 77 13.612 -16.475 9.398 1.00 0.00 O ATOM 1199 NE2 GLN A 77 12.111 -16.611 7.803 1.00 0.00 N ATOM 0 H GLN A 77 11.947 -10.384 9.133 1.00 0.00 H new ATOM 0 HA GLN A 77 11.474 -12.744 7.968 1.00 0.00 H new ATOM 0 HB2 GLN A 77 13.500 -13.266 10.046 1.00 0.00 H new ATOM 0 HB3 GLN A 77 12.074 -14.281 10.136 1.00 0.00 H new ATOM 0 HG2 GLN A 77 12.558 -14.135 7.361 1.00 0.00 H new ATOM 0 HG3 GLN A 77 14.177 -14.191 8.031 1.00 0.00 H new ATOM 0 HE21 GLN A 77 11.568 -16.155 7.070 1.00 0.00 H new ATOM 0 HE22 GLN A 77 11.991 -17.608 7.981 1.00 0.00 H new ATOM 1208 N ASN A 78 11.009 -11.620 11.049 1.00 0.00 N ATOM 1209 CA ASN A 78 10.046 -11.264 12.154 1.00 0.00 C ATOM 1210 C ASN A 78 9.541 -9.850 11.773 1.00 0.00 C ATOM 1211 O ASN A 78 8.401 -9.483 11.902 1.00 0.00 O ATOM 1212 CB ASN A 78 10.803 -11.223 13.465 1.00 0.00 C ATOM 1213 CG ASN A 78 11.396 -12.593 13.854 1.00 0.00 C ATOM 1214 OD1 ASN A 78 12.160 -12.607 14.796 1.00 0.00 O ATOM 1215 ND2 ASN A 78 11.105 -13.682 13.214 1.00 0.00 N ATOM 0 H ASN A 78 11.963 -11.297 11.211 1.00 0.00 H new ATOM 0 HA ASN A 78 9.227 -11.974 12.268 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.607 -10.491 13.392 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.134 -10.884 14.256 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.520 -14.568 13.500 1.00 0.00 H new ATOM 0 HD22 ASN A 78 10.461 -13.653 12.424 1.00 0.00 H new ATOM 1222 N ASN A 79 10.491 -9.093 11.279 1.00 0.00 N ATOM 1223 CA ASN A 79 10.236 -7.685 10.797 1.00 0.00 C ATOM 1224 C ASN A 79 9.722 -7.864 9.346 1.00 0.00 C ATOM 1225 O ASN A 79 10.537 -8.142 8.500 1.00 0.00 O ATOM 1226 CB ASN A 79 11.496 -6.847 10.825 1.00 0.00 C ATOM 1227 CG ASN A 79 12.237 -7.024 12.149 1.00 0.00 C ATOM 1228 OD1 ASN A 79 12.725 -8.083 12.457 1.00 0.00 O ATOM 1229 ND2 ASN A 79 12.341 -5.996 12.964 1.00 0.00 N ATOM 0 H ASN A 79 11.461 -9.395 11.185 1.00 0.00 H new ATOM 0 HA ASN A 79 9.524 -7.159 11.433 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.146 -7.133 9.998 1.00 0.00 H new ATOM 0 HB3 ASN A 79 11.242 -5.796 10.683 1.00 0.00 H new ATOM 0 HD21 ASN A 79 12.833 -6.097 13.852 1.00 0.00 H new ATOM 0 HD22 ASN A 79 11.930 -5.098 12.708 1.00 0.00 H new ATOM 1236 N ALA A 80 8.453 -7.711 9.169 1.00 0.00 N ATOM 1237 CA ALA A 80 7.752 -7.854 7.867 1.00 0.00 C ATOM 1238 C ALA A 80 6.877 -6.615 7.668 1.00 0.00 C ATOM 1239 O ALA A 80 6.006 -6.393 8.482 1.00 0.00 O ATOM 1240 CB ALA A 80 6.894 -9.132 7.860 1.00 0.00 C ATOM 0 H ALA A 80 7.822 -7.474 9.934 1.00 0.00 H new ATOM 0 HA ALA A 80 8.473 -7.937 7.054 1.00 0.00 H new ATOM 0 HB1 ALA A 80 6.386 -9.224 6.900 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.534 -10.001 8.017 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.154 -9.078 8.658 1.00 0.00 H new ATOM 1246 N MET A 81 7.139 -5.884 6.628 1.00 0.00 N ATOM 1247 CA MET A 81 6.414 -4.653 6.266 1.00 0.00 C ATOM 1248 C MET A 81 4.920 -4.711 6.557 1.00 0.00 C ATOM 1249 O MET A 81 4.250 -5.718 6.429 1.00 0.00 O ATOM 1250 CB MET A 81 6.631 -4.424 4.754 1.00 0.00 C ATOM 1251 CG MET A 81 5.336 -4.081 4.047 1.00 0.00 C ATOM 1252 SD MET A 81 5.710 -3.912 2.278 1.00 0.00 S ATOM 1253 CE MET A 81 6.577 -2.324 2.425 1.00 0.00 C ATOM 0 H MET A 81 7.884 -6.115 5.971 1.00 0.00 H new ATOM 0 HA MET A 81 6.805 -3.838 6.875 1.00 0.00 H new ATOM 0 HB2 MET A 81 7.350 -3.618 4.608 1.00 0.00 H new ATOM 0 HB3 MET A 81 7.062 -5.320 4.309 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.592 -4.861 4.209 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.918 -3.155 4.441 1.00 0.00 H new ATOM 0 HE1 MET A 81 6.710 -1.889 1.434 1.00 0.00 H new ATOM 0 HE2 MET A 81 5.990 -1.645 3.044 1.00 0.00 H new ATOM 0 HE3 MET A 81 7.552 -2.483 2.885 1.00 0.00 H new ATOM 1263 N LYS A 82 4.333 -3.592 6.957 1.00 0.00 N ATOM 1264 CA LYS A 82 2.893 -3.511 7.257 1.00 0.00 C ATOM 1265 C LYS A 82 2.339 -2.267 6.489 1.00 0.00 C ATOM 1266 O LYS A 82 2.820 -1.197 6.779 1.00 0.00 O ATOM 1267 CB LYS A 82 2.624 -3.463 8.767 1.00 0.00 C ATOM 1268 CG LYS A 82 2.734 -4.878 9.386 1.00 0.00 C ATOM 1269 CD LYS A 82 1.682 -5.079 10.477 1.00 0.00 C ATOM 1270 CE LYS A 82 0.469 -5.718 9.828 1.00 0.00 C ATOM 1271 NZ LYS A 82 -0.752 -5.143 10.455 1.00 0.00 N ATOM 0 H LYS A 82 4.832 -2.712 7.085 1.00 0.00 H new ATOM 0 HA LYS A 82 2.373 -4.408 6.921 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.337 -2.794 9.248 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.630 -3.056 8.952 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.606 -5.631 8.608 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.730 -5.020 9.805 1.00 0.00 H new ATOM 0 HD2 LYS A 82 2.071 -5.715 11.272 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.415 -4.126 10.933 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.469 -5.530 8.754 1.00 0.00 H new ATOM 0 HE3 LYS A 82 0.492 -6.799 9.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.597 -5.569 10.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.746 -5.344 11.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.768 -4.114 10.305 1.00 0.00 H new ATOM 1285 N ILE A 83 1.455 -2.620 5.608 1.00 0.00 N ATOM 1286 CA ILE A 83 0.724 -1.730 4.646 1.00 0.00 C ATOM 1287 C ILE A 83 -0.760 -2.095 4.813 1.00 0.00 C ATOM 1288 O ILE A 83 -1.181 -3.196 4.503 1.00 0.00 O ATOM 1289 CB ILE A 83 1.175 -1.994 3.179 1.00 0.00 C ATOM 1290 CG1 ILE A 83 2.667 -1.701 3.139 1.00 0.00 C ATOM 1291 CG2 ILE A 83 0.482 -0.981 2.257 1.00 0.00 C ATOM 1292 CD1 ILE A 83 3.137 -1.900 1.689 1.00 0.00 C ATOM 0 H ILE A 83 1.178 -3.596 5.503 1.00 0.00 H new ATOM 0 HA ILE A 83 0.922 -0.678 4.848 1.00 0.00 H new ATOM 0 HB ILE A 83 0.936 -3.010 2.866 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.867 -0.682 3.471 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.207 -2.367 3.812 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.791 -1.156 1.226 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.599 -1.096 2.337 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.762 0.030 2.552 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.206 -1.698 1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.942 -2.927 1.381 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.597 -1.216 1.034 1.00 0.00 H new ATOM 1304 N SER A 84 -1.494 -1.160 5.357 1.00 0.00 N ATOM 1305 CA SER A 84 -2.922 -1.300 5.724 1.00 0.00 C ATOM 1306 C SER A 84 -3.806 -0.466 4.776 1.00 0.00 C ATOM 1307 O SER A 84 -3.861 0.706 4.940 1.00 0.00 O ATOM 1308 CB SER A 84 -3.257 -0.844 7.136 1.00 0.00 C ATOM 1309 OG SER A 84 -4.645 -1.103 7.395 1.00 0.00 O ATOM 0 H SER A 84 -1.121 -0.236 5.574 1.00 0.00 H new ATOM 0 HA SER A 84 -3.117 -2.370 5.649 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.635 -1.371 7.859 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.045 0.219 7.248 1.00 0.00 H new ATOM 0 HG SER A 84 -4.868 -0.813 8.304 1.00 0.00 H new ATOM 1315 N PHE A 85 -4.413 -1.132 3.865 1.00 0.00 N ATOM 1316 CA PHE A 85 -5.359 -0.499 2.898 1.00 0.00 C ATOM 1317 C PHE A 85 -6.271 0.428 3.723 1.00 0.00 C ATOM 1318 O PHE A 85 -6.483 0.257 4.913 1.00 0.00 O ATOM 1319 CB PHE A 85 -6.292 -1.510 2.249 1.00 0.00 C ATOM 1320 CG PHE A 85 -5.922 -2.938 2.467 1.00 0.00 C ATOM 1321 CD1 PHE A 85 -6.218 -3.543 3.708 1.00 0.00 C ATOM 1322 CD2 PHE A 85 -5.290 -3.679 1.464 1.00 0.00 C ATOM 1323 CE1 PHE A 85 -5.881 -4.876 3.934 1.00 0.00 C ATOM 1324 CE2 PHE A 85 -4.967 -5.005 1.707 1.00 0.00 C ATOM 1325 CZ PHE A 85 -5.251 -5.627 2.932 1.00 0.00 C ATOM 0 H PHE A 85 -4.297 -2.137 3.732 1.00 0.00 H new ATOM 0 HA PHE A 85 -4.774 -0.002 2.124 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -7.300 -1.349 2.631 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -6.323 -1.318 1.177 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -6.706 -2.972 4.483 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.057 -3.224 0.513 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -6.106 -5.333 4.886 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.482 -5.577 0.930 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.990 -6.662 3.099 1.00 0.00 H new ATOM 1335 N ALA A 86 -6.837 1.426 3.139 1.00 0.00 N ATOM 1336 CA ALA A 86 -7.713 2.402 3.814 1.00 0.00 C ATOM 1337 C ALA A 86 -9.170 1.978 3.868 1.00 0.00 C ATOM 1338 O ALA A 86 -9.967 2.673 4.441 1.00 0.00 O ATOM 1339 CB ALA A 86 -7.575 3.734 3.045 1.00 0.00 C ATOM 0 H ALA A 86 -6.718 1.618 2.144 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.401 2.491 4.854 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.208 4.490 3.510 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.536 4.064 3.072 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.883 3.590 2.009 1.00 0.00 H new