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 59 ASN : amide:sc= -5.52! C(o=-13!,f=-22!) USER MOD Set 1.2: A 62 GLN : amide:sc= -7.83! C(o=-13!,f=-23!) USER MOD Set 2.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 20 ASN : amide:sc= -0.637 X(o=-0.64,f=-0.25) USER MOD Single : A 13 ASN : amide:sc= -7.74! C(o=-7.7!,f=-13!) USER MOD Single : A 14 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-0.65) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.22 K(o=-1.2,f=-16!) USER MOD Single : A 29 MET CE :methyl -122:sc= -0.751 (180deg=-2.28!) USER MOD Single : A 31 SER OG : rot 80:sc= 1.15 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc=-0.00287 X(o=-0.0029,f=-0.0029) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -1.44 X(o=-1.4,f=-1.8) USER MOD Single : A 71 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.18) USER MOD Single : A 74 LYS NZ :NH3+ 155:sc= -0.0704 (180deg=-0.506) USER MOD Single : A 76 THR OG1 : rot 159:sc= -13! USER MOD Single : A 77 GLN : amide:sc= -0.634 K(o=-0.63,f=-0.014) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl 166:sc= -7.01! (180deg=-8.41!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot -169:sc= -1.29 USER MOD ----------------------------------------------------------------- ATOM 172 N ASN A 13 -9.959 0.800 -3.391 1.00 0.00 N ATOM 173 CA ASN A 13 -9.347 2.177 -3.329 1.00 0.00 C ATOM 174 C ASN A 13 -7.968 2.249 -3.955 1.00 0.00 C ATOM 175 O ASN A 13 -7.304 1.238 -4.064 1.00 0.00 O ATOM 176 CB ASN A 13 -9.364 2.565 -1.837 1.00 0.00 C ATOM 177 CG ASN A 13 -8.822 3.957 -1.554 1.00 0.00 C ATOM 178 OD1 ASN A 13 -8.189 4.641 -2.315 1.00 0.00 O ATOM 179 ND2 ASN A 13 -9.071 4.455 -0.368 1.00 0.00 N ATOM 0 HA ASN A 13 -9.918 2.889 -3.925 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -10.388 2.503 -1.468 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.778 1.837 -1.276 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -8.732 5.385 -0.124 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.604 3.912 0.311 1.00 0.00 H new ATOM 186 N HIS A 14 -7.482 3.384 -4.382 1.00 0.00 N ATOM 187 CA HIS A 14 -6.148 3.495 -5.008 1.00 0.00 C ATOM 188 C HIS A 14 -5.108 4.270 -4.174 1.00 0.00 C ATOM 189 O HIS A 14 -4.180 4.833 -4.735 1.00 0.00 O ATOM 190 CB HIS A 14 -6.286 4.308 -6.321 1.00 0.00 C ATOM 191 CG HIS A 14 -6.626 5.758 -6.021 1.00 0.00 C ATOM 192 ND1 HIS A 14 -7.940 6.159 -5.908 1.00 0.00 N ATOM 193 CD2 HIS A 14 -5.829 6.865 -5.818 1.00 0.00 C ATOM 194 CE1 HIS A 14 -7.917 7.486 -5.641 1.00 0.00 C ATOM 195 NE2 HIS A 14 -6.674 7.958 -5.579 1.00 0.00 N ATOM 0 H HIS A 14 -7.983 4.270 -4.316 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.806 2.468 -5.135 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -5.355 4.257 -6.886 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -7.063 3.869 -6.947 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.749 6.886 -5.839 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.801 8.089 -5.496 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -6.393 8.921 -5.395 1.00 0.00 H new ATOM 204 N ILE A 15 -5.208 4.337 -2.858 1.00 0.00 N ATOM 205 CA ILE A 15 -4.264 5.073 -1.967 1.00 0.00 C ATOM 206 C ILE A 15 -4.053 4.127 -0.762 1.00 0.00 C ATOM 207 O ILE A 15 -4.988 3.964 -0.041 1.00 0.00 O ATOM 208 CB ILE A 15 -4.758 6.447 -1.483 1.00 0.00 C ATOM 209 CG1 ILE A 15 -4.219 7.498 -2.479 1.00 0.00 C ATOM 210 CG2 ILE A 15 -4.217 6.781 -0.103 1.00 0.00 C ATOM 211 CD1 ILE A 15 -4.696 8.898 -2.154 1.00 0.00 C ATOM 0 H ILE A 15 -5.960 3.877 -2.345 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.355 5.309 -2.520 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.847 6.440 -1.429 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.129 7.477 -2.471 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.535 7.234 -3.488 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.587 7.759 0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.548 6.026 0.610 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.128 6.798 -0.134 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.290 9.599 -2.883 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.785 8.929 -2.189 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.357 9.175 -1.156 1.00 0.00 H new ATOM 223 N LEU A 16 -2.870 3.593 -0.643 1.00 0.00 N ATOM 224 CA LEU A 16 -2.546 2.632 0.464 1.00 0.00 C ATOM 225 C LEU A 16 -1.402 3.226 1.331 1.00 0.00 C ATOM 226 O LEU A 16 -0.269 3.414 0.950 1.00 0.00 O ATOM 227 CB LEU A 16 -2.082 1.363 -0.232 1.00 0.00 C ATOM 228 CG LEU A 16 -3.294 0.550 -0.727 1.00 0.00 C ATOM 229 CD1 LEU A 16 -3.009 0.048 -2.139 1.00 0.00 C ATOM 230 CD2 LEU A 16 -3.527 -0.665 0.164 1.00 0.00 C ATOM 0 H LEU A 16 -2.094 3.782 -1.277 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.395 2.439 1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.438 1.617 -1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.487 0.760 0.454 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.174 1.192 -0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.861 -0.529 -2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.841 0.898 -2.800 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.121 -0.584 -2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.387 -1.225 -0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.644 -1.303 0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.717 -0.336 1.186 1.00 0.00 H new ATOM 242 N PHE A 17 -1.834 3.554 2.554 1.00 0.00 N ATOM 243 CA PHE A 17 -1.064 4.228 3.590 1.00 0.00 C ATOM 244 C PHE A 17 -1.050 3.273 4.803 1.00 0.00 C ATOM 245 O PHE A 17 -2.076 2.807 5.186 1.00 0.00 O ATOM 246 CB PHE A 17 -1.537 5.607 3.985 1.00 0.00 C ATOM 247 CG PHE A 17 -0.782 5.902 5.296 1.00 0.00 C ATOM 248 CD1 PHE A 17 0.612 6.055 5.351 1.00 0.00 C ATOM 249 CD2 PHE A 17 -1.466 6.037 6.525 1.00 0.00 C ATOM 250 CE1 PHE A 17 1.310 6.330 6.536 1.00 0.00 C ATOM 251 CE2 PHE A 17 -0.782 6.309 7.728 1.00 0.00 C ATOM 252 CZ PHE A 17 0.618 6.459 7.729 1.00 0.00 C ATOM 0 H PHE A 17 -2.784 3.342 2.858 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.070 4.429 3.189 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.304 6.344 3.216 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.617 5.631 4.133 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.175 5.956 4.435 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.540 5.929 6.544 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.384 6.441 6.518 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.334 6.403 8.652 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.145 6.672 8.647 1.00 0.00 H new ATOM 262 N LEU A 18 0.130 3.027 5.244 1.00 0.00 N ATOM 263 CA LEU A 18 0.301 2.228 6.424 1.00 0.00 C ATOM 264 C LEU A 18 1.793 2.027 6.545 1.00 0.00 C ATOM 265 O LEU A 18 2.560 2.606 5.811 1.00 0.00 O ATOM 266 CB LEU A 18 -0.613 1.096 6.764 1.00 0.00 C ATOM 267 CG LEU A 18 -1.445 1.429 8.038 1.00 0.00 C ATOM 268 CD1 LEU A 18 -0.504 1.615 9.246 1.00 0.00 C ATOM 269 CD2 LEU A 18 -2.227 2.712 7.893 1.00 0.00 C ATOM 0 H LEU A 18 0.994 3.361 4.816 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.120 2.775 7.267 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.283 0.898 5.927 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.032 0.189 6.929 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.134 0.597 8.182 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.093 1.848 10.133 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.058 0.696 9.414 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.188 2.433 9.045 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.790 2.900 8.807 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.540 3.539 7.714 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.917 2.625 7.053 1.00 0.00 H new ATOM 281 N THR A 19 2.121 1.339 7.519 1.00 0.00 N ATOM 282 CA THR A 19 3.484 1.123 7.885 1.00 0.00 C ATOM 283 C THR A 19 3.626 -0.327 8.292 1.00 0.00 C ATOM 284 O THR A 19 2.702 -1.087 8.208 1.00 0.00 O ATOM 285 CB THR A 19 3.735 1.945 9.181 1.00 0.00 C ATOM 286 OG1 THR A 19 3.115 1.241 10.268 1.00 0.00 O ATOM 287 CG2 THR A 19 3.039 3.285 9.068 1.00 0.00 C ATOM 0 H THR A 19 1.450 0.876 8.132 1.00 0.00 H new ATOM 0 HA THR A 19 4.157 1.391 7.071 1.00 0.00 H new ATOM 0 HB THR A 19 4.806 2.081 9.334 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.258 1.736 11.102 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.213 3.863 9.975 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.434 3.829 8.210 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.968 3.129 8.937 1.00 0.00 H new ATOM 295 N ASN A 20 4.763 -0.603 8.626 1.00 0.00 N ATOM 296 CA ASN A 20 5.265 -1.963 9.043 1.00 0.00 C ATOM 297 C ASN A 20 6.200 -2.452 7.914 1.00 0.00 C ATOM 298 O ASN A 20 6.312 -3.600 7.579 1.00 0.00 O ATOM 299 CB ASN A 20 4.220 -2.959 9.440 1.00 0.00 C ATOM 300 CG ASN A 20 3.857 -2.919 10.948 1.00 0.00 C ATOM 301 OD1 ASN A 20 3.902 -1.913 11.607 1.00 0.00 O ATOM 302 ND2 ASN A 20 3.495 -4.076 11.456 1.00 0.00 N ATOM 0 H ASN A 20 5.499 0.103 8.650 1.00 0.00 H new ATOM 0 HA ASN A 20 5.805 -1.861 9.984 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.319 -2.779 8.854 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.570 -3.960 9.187 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.240 -4.143 12.441 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.469 -4.907 10.865 1.00 0.00 H new ATOM 309 N LEU A 21 6.905 -1.546 7.310 1.00 0.00 N ATOM 310 CA LEU A 21 7.836 -1.869 6.178 1.00 0.00 C ATOM 311 C LEU A 21 9.086 -1.012 6.277 1.00 0.00 C ATOM 312 O LEU A 21 9.283 -0.051 5.579 1.00 0.00 O ATOM 313 CB LEU A 21 7.068 -1.521 4.885 1.00 0.00 C ATOM 314 CG LEU A 21 6.067 -0.404 5.076 1.00 0.00 C ATOM 315 CD1 LEU A 21 6.178 0.543 3.861 1.00 0.00 C ATOM 316 CD2 LEU A 21 4.642 -0.951 5.180 1.00 0.00 C ATOM 0 H LEU A 21 6.880 -0.557 7.556 1.00 0.00 H new ATOM 0 HA LEU A 21 8.143 -2.915 6.197 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.781 -1.235 4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.549 -2.410 4.527 1.00 0.00 H new ATOM 0 HG LEU A 21 6.284 0.126 6.003 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.466 1.361 3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.189 0.947 3.806 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.958 -0.010 2.948 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.944 -0.125 5.317 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.392 -1.490 4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.574 -1.629 6.031 1.00 0.00 H new ATOM 328 N PRO A 22 9.931 -1.399 7.180 1.00 0.00 N ATOM 329 CA PRO A 22 11.227 -0.773 7.496 1.00 0.00 C ATOM 330 C PRO A 22 12.329 -1.777 7.080 1.00 0.00 C ATOM 331 O PRO A 22 12.050 -2.603 6.242 1.00 0.00 O ATOM 332 CB PRO A 22 11.084 -0.724 9.021 1.00 0.00 C ATOM 333 CG PRO A 22 10.528 -2.150 9.307 1.00 0.00 C ATOM 334 CD PRO A 22 9.719 -2.565 8.050 1.00 0.00 C ATOM 0 HA PRO A 22 11.466 0.181 7.027 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.036 -0.544 9.520 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.400 0.060 9.347 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.340 -2.853 9.496 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.894 -2.149 10.194 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.095 -3.486 7.604 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.664 -2.726 8.273 1.00 0.00 H new ATOM 342 N GLU A 23 13.473 -1.647 7.668 1.00 0.00 N ATOM 343 CA GLU A 23 14.658 -2.501 7.427 1.00 0.00 C ATOM 344 C GLU A 23 15.558 -1.956 6.314 1.00 0.00 C ATOM 345 O GLU A 23 15.910 -2.616 5.373 1.00 0.00 O ATOM 346 CB GLU A 23 14.257 -3.960 7.128 1.00 0.00 C ATOM 347 CG GLU A 23 15.541 -4.788 7.302 1.00 0.00 C ATOM 348 CD GLU A 23 15.229 -6.266 7.414 1.00 0.00 C ATOM 349 OE1 GLU A 23 14.676 -6.772 6.451 1.00 0.00 O ATOM 350 OE2 GLU A 23 15.527 -6.881 8.420 1.00 0.00 O ATOM 0 H GLU A 23 13.646 -0.921 8.364 1.00 0.00 H new ATOM 0 HA GLU A 23 15.235 -2.485 8.352 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.477 -4.299 7.810 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.862 -4.058 6.117 1.00 0.00 H new ATOM 0 HG2 GLU A 23 16.205 -4.617 6.454 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.072 -4.457 8.195 1.00 0.00 H new ATOM 357 N GLU A 24 15.915 -0.724 6.442 1.00 0.00 N ATOM 358 CA GLU A 24 16.784 -0.007 5.453 1.00 0.00 C ATOM 359 C GLU A 24 15.920 0.188 4.186 1.00 0.00 C ATOM 360 O GLU A 24 16.387 0.485 3.108 1.00 0.00 O ATOM 361 CB GLU A 24 18.010 -0.813 5.071 1.00 0.00 C ATOM 362 CG GLU A 24 18.647 -1.476 6.297 1.00 0.00 C ATOM 363 CD GLU A 24 19.724 -2.457 5.821 1.00 0.00 C ATOM 364 OE1 GLU A 24 20.073 -2.386 4.643 1.00 0.00 O ATOM 365 OE2 GLU A 24 20.208 -3.264 6.589 1.00 0.00 O ATOM 0 H GLU A 24 15.631 -0.143 7.230 1.00 0.00 H new ATOM 0 HA GLU A 24 17.133 0.929 5.889 1.00 0.00 H new ATOM 0 HB2 GLU A 24 17.733 -1.577 4.345 1.00 0.00 H new ATOM 0 HB3 GLU A 24 18.739 -0.163 4.587 1.00 0.00 H new ATOM 0 HG2 GLU A 24 19.085 -0.721 6.950 1.00 0.00 H new ATOM 0 HG3 GLU A 24 17.889 -2.000 6.880 1.00 0.00 H new ATOM 372 N THR A 25 14.634 -0.004 4.391 1.00 0.00 N ATOM 373 CA THR A 25 13.743 0.150 3.188 1.00 0.00 C ATOM 374 C THR A 25 13.810 1.618 2.792 1.00 0.00 C ATOM 375 O THR A 25 14.191 2.413 3.646 1.00 0.00 O ATOM 376 CB THR A 25 12.354 -0.297 3.602 1.00 0.00 C ATOM 377 OG1 THR A 25 11.943 -1.444 2.870 1.00 0.00 O ATOM 378 CG2 THR A 25 11.396 0.897 3.404 1.00 0.00 C ATOM 0 H THR A 25 14.184 -0.244 5.274 1.00 0.00 H new ATOM 0 HA THR A 25 14.039 -0.451 2.328 1.00 0.00 H new ATOM 0 HB THR A 25 12.347 -0.596 4.650 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.045 -1.712 3.158 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.387 0.606 3.694 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.724 1.733 4.022 1.00 0.00 H new ATOM 0 HG23 THR A 25 11.400 1.197 2.356 1.00 0.00 H new ATOM 386 N ASN A 26 13.483 2.021 1.609 1.00 0.00 N ATOM 387 CA ASN A 26 13.595 3.488 1.352 1.00 0.00 C ATOM 388 C ASN A 26 12.647 3.979 0.257 1.00 0.00 C ATOM 389 O ASN A 26 11.887 3.237 -0.344 1.00 0.00 O ATOM 390 CB ASN A 26 15.063 3.878 1.055 1.00 0.00 C ATOM 391 CG ASN A 26 15.470 3.513 -0.362 1.00 0.00 C ATOM 392 OD1 ASN A 26 15.039 4.075 -1.354 1.00 0.00 O ATOM 393 ND2 ASN A 26 16.333 2.543 -0.527 1.00 0.00 N ATOM 0 H ASN A 26 13.157 1.440 0.836 1.00 0.00 H new ATOM 0 HA ASN A 26 13.281 3.995 2.264 1.00 0.00 H new ATOM 0 HB2 ASN A 26 15.191 4.950 1.205 1.00 0.00 H new ATOM 0 HB3 ASN A 26 15.722 3.376 1.763 1.00 0.00 H new ATOM 0 HD21 ASN A 26 16.627 2.276 -1.467 1.00 0.00 H new ATOM 0 HD22 ASN A 26 16.712 2.054 0.284 1.00 0.00 H new ATOM 400 N GLU A 27 12.710 5.275 0.010 1.00 0.00 N ATOM 401 CA GLU A 27 11.865 5.931 -1.009 1.00 0.00 C ATOM 402 C GLU A 27 12.195 5.524 -2.443 1.00 0.00 C ATOM 403 O GLU A 27 11.290 5.352 -3.205 1.00 0.00 O ATOM 404 CB GLU A 27 12.015 7.470 -0.986 1.00 0.00 C ATOM 405 CG GLU A 27 13.420 7.887 -0.607 1.00 0.00 C ATOM 406 CD GLU A 27 13.814 9.234 -1.234 1.00 0.00 C ATOM 407 OE1 GLU A 27 12.979 10.104 -1.315 1.00 0.00 O ATOM 408 OE2 GLU A 27 14.967 9.335 -1.617 1.00 0.00 O ATOM 0 H GLU A 27 13.340 5.911 0.499 1.00 0.00 H new ATOM 0 HA GLU A 27 10.859 5.608 -0.742 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.767 7.875 -1.967 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.305 7.895 -0.277 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.496 7.957 0.478 1.00 0.00 H new ATOM 0 HG3 GLU A 27 14.124 7.119 -0.927 1.00 0.00 H new ATOM 415 N LEU A 28 13.420 5.364 -2.881 1.00 0.00 N ATOM 416 CA LEU A 28 13.713 4.960 -4.313 1.00 0.00 C ATOM 417 C LEU A 28 13.373 3.448 -4.433 1.00 0.00 C ATOM 418 O LEU A 28 13.099 2.908 -5.476 1.00 0.00 O ATOM 419 CB LEU A 28 15.164 5.247 -4.646 1.00 0.00 C ATOM 420 CG LEU A 28 16.039 4.008 -4.417 1.00 0.00 C ATOM 421 CD1 LEU A 28 16.220 3.287 -5.759 1.00 0.00 C ATOM 422 CD2 LEU A 28 17.412 4.491 -3.955 1.00 0.00 C ATOM 0 H LEU A 28 14.251 5.496 -2.304 1.00 0.00 H new ATOM 0 HA LEU A 28 13.114 5.528 -5.025 1.00 0.00 H new ATOM 0 HB2 LEU A 28 15.246 5.567 -5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 28 15.526 6.070 -4.030 1.00 0.00 H new ATOM 0 HG LEU A 28 15.585 3.343 -3.683 1.00 0.00 H new ATOM 0 HD11 LEU A 28 16.840 2.402 -5.616 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.246 2.988 -6.146 1.00 0.00 H new ATOM 0 HD13 LEU A 28 16.703 3.957 -6.470 1.00 0.00 H new ATOM 0 HD21 LEU A 28 18.061 3.632 -3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 28 17.851 5.129 -4.722 1.00 0.00 H new ATOM 0 HD23 LEU A 28 17.306 5.057 -3.030 1.00 0.00 H new ATOM 434 N MET A 29 13.401 2.801 -3.283 1.00 0.00 N ATOM 435 CA MET A 29 13.088 1.325 -3.216 1.00 0.00 C ATOM 436 C MET A 29 11.591 1.169 -3.469 1.00 0.00 C ATOM 437 O MET A 29 11.085 0.527 -4.384 1.00 0.00 O ATOM 438 CB MET A 29 13.481 0.880 -1.803 1.00 0.00 C ATOM 439 CG MET A 29 13.858 -0.583 -1.738 1.00 0.00 C ATOM 440 SD MET A 29 12.632 -1.673 -2.497 1.00 0.00 S ATOM 441 CE MET A 29 13.506 -1.929 -4.055 1.00 0.00 C ATOM 0 H MET A 29 13.627 3.231 -2.386 1.00 0.00 H new ATOM 0 HA MET A 29 13.622 0.722 -3.950 1.00 0.00 H new ATOM 0 HB2 MET A 29 14.320 1.483 -1.456 1.00 0.00 H new ATOM 0 HB3 MET A 29 12.650 1.068 -1.123 1.00 0.00 H new ATOM 0 HG2 MET A 29 14.818 -0.726 -2.235 1.00 0.00 H new ATOM 0 HG3 MET A 29 13.993 -0.870 -0.695 1.00 0.00 H new ATOM 0 HE1 MET A 29 12.874 -1.610 -4.884 1.00 0.00 H new ATOM 0 HE2 MET A 29 14.427 -1.346 -4.056 1.00 0.00 H new ATOM 0 HE3 MET A 29 13.746 -2.986 -4.168 1.00 0.00 H new ATOM 451 N LEU A 30 10.845 1.811 -2.596 1.00 0.00 N ATOM 452 CA LEU A 30 9.368 1.772 -2.703 1.00 0.00 C ATOM 453 C LEU A 30 8.933 2.526 -3.938 1.00 0.00 C ATOM 454 O LEU A 30 7.910 2.319 -4.532 1.00 0.00 O ATOM 455 CB LEU A 30 8.801 2.415 -1.417 1.00 0.00 C ATOM 456 CG LEU A 30 8.459 1.280 -0.446 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.697 0.727 0.242 1.00 0.00 C ATOM 458 CD2 LEU A 30 7.416 1.734 0.598 1.00 0.00 C ATOM 0 H LEU A 30 11.207 2.359 -1.816 1.00 0.00 H new ATOM 0 HA LEU A 30 8.997 0.751 -2.797 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.531 3.092 -0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.914 3.006 -1.643 1.00 0.00 H new ATOM 0 HG LEU A 30 8.025 0.475 -1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.408 -0.075 0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.386 0.338 -0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.185 1.522 0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.193 0.908 1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.814 2.572 1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.503 2.043 0.089 1.00 0.00 H new ATOM 470 N SER A 31 9.751 3.465 -4.378 1.00 0.00 N ATOM 471 CA SER A 31 9.427 4.264 -5.598 1.00 0.00 C ATOM 472 C SER A 31 9.674 3.338 -6.780 1.00 0.00 C ATOM 473 O SER A 31 8.970 3.412 -7.750 1.00 0.00 O ATOM 474 CB SER A 31 10.341 5.468 -5.774 1.00 0.00 C ATOM 475 OG SER A 31 9.894 6.547 -4.954 1.00 0.00 O ATOM 0 H SER A 31 10.636 3.708 -3.934 1.00 0.00 H new ATOM 0 HA SER A 31 8.404 4.632 -5.519 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.364 5.200 -5.510 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.352 5.776 -6.820 1.00 0.00 H new ATOM 0 HG SER A 31 10.198 6.406 -4.033 1.00 0.00 H new ATOM 481 N MET A 32 10.636 2.466 -6.751 1.00 0.00 N ATOM 482 CA MET A 32 10.813 1.570 -7.944 1.00 0.00 C ATOM 483 C MET A 32 9.802 0.435 -7.905 1.00 0.00 C ATOM 484 O MET A 32 9.311 -0.095 -8.900 1.00 0.00 O ATOM 485 CB MET A 32 12.211 0.930 -7.818 1.00 0.00 C ATOM 486 CG MET A 32 13.189 1.577 -8.799 1.00 0.00 C ATOM 487 SD MET A 32 14.527 0.408 -9.147 1.00 0.00 S ATOM 488 CE MET A 32 14.900 0.884 -10.853 1.00 0.00 C ATOM 0 H MET A 32 11.294 2.328 -5.984 1.00 0.00 H new ATOM 0 HA MET A 32 10.687 2.145 -8.861 1.00 0.00 H new ATOM 0 HB2 MET A 32 12.580 1.046 -6.799 1.00 0.00 H new ATOM 0 HB3 MET A 32 12.146 -0.140 -8.014 1.00 0.00 H new ATOM 0 HG2 MET A 32 12.675 1.847 -9.721 1.00 0.00 H new ATOM 0 HG3 MET A 32 13.593 2.498 -8.377 1.00 0.00 H new ATOM 0 HE1 MET A 32 15.710 0.262 -11.235 1.00 0.00 H new ATOM 0 HE2 MET A 32 14.013 0.746 -11.471 1.00 0.00 H new ATOM 0 HE3 MET A 32 15.202 1.931 -10.881 1.00 0.00 H new ATOM 498 N LEU A 33 9.442 0.028 -6.704 1.00 0.00 N ATOM 499 CA LEU A 33 8.465 -1.102 -6.504 1.00 0.00 C ATOM 500 C LEU A 33 7.087 -0.531 -6.882 1.00 0.00 C ATOM 501 O LEU A 33 6.235 -1.163 -7.442 1.00 0.00 O ATOM 502 CB LEU A 33 8.401 -1.451 -5.008 1.00 0.00 C ATOM 503 CG LEU A 33 9.314 -2.612 -4.649 1.00 0.00 C ATOM 504 CD1 LEU A 33 9.509 -2.661 -3.123 1.00 0.00 C ATOM 505 CD2 LEU A 33 8.746 -3.957 -5.093 1.00 0.00 C ATOM 0 H LEU A 33 9.790 0.439 -5.838 1.00 0.00 H new ATOM 0 HA LEU A 33 8.748 -1.978 -7.087 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.680 -0.576 -4.421 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.375 -1.701 -4.739 1.00 0.00 H new ATOM 0 HG LEU A 33 10.258 -2.445 -5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.164 -3.494 -2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.959 -1.728 -2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.543 -2.796 -2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.436 -4.753 -4.813 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.784 -4.123 -4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.612 -3.956 -6.175 1.00 0.00 H new ATOM 517 N PHE A 34 6.959 0.722 -6.517 1.00 0.00 N ATOM 518 CA PHE A 34 5.652 1.402 -6.855 1.00 0.00 C ATOM 519 C PHE A 34 5.708 1.825 -8.334 1.00 0.00 C ATOM 520 O PHE A 34 4.695 1.939 -8.993 1.00 0.00 O ATOM 521 CB PHE A 34 5.367 2.561 -5.923 1.00 0.00 C ATOM 522 CG PHE A 34 5.018 2.012 -4.550 1.00 0.00 C ATOM 523 CD1 PHE A 34 4.450 0.764 -4.350 1.00 0.00 C ATOM 524 CD2 PHE A 34 5.278 2.800 -3.421 1.00 0.00 C ATOM 525 CE1 PHE A 34 4.154 0.337 -3.035 1.00 0.00 C ATOM 526 CE2 PHE A 34 4.994 2.393 -2.117 1.00 0.00 C ATOM 527 CZ PHE A 34 4.421 1.139 -1.928 1.00 0.00 C ATOM 0 H PHE A 34 7.655 1.284 -6.027 1.00 0.00 H new ATOM 0 HA PHE A 34 4.820 0.713 -6.713 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.236 3.215 -5.858 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.544 3.162 -6.309 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.235 0.123 -5.192 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.722 3.774 -3.568 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.710 -0.636 -2.885 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.213 3.034 -1.276 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.186 0.791 -0.933 1.00 0.00 H new ATOM 537 N ASN A 35 6.911 2.038 -8.779 1.00 0.00 N ATOM 538 CA ASN A 35 7.211 2.454 -10.170 1.00 0.00 C ATOM 539 C ASN A 35 6.795 1.305 -11.115 1.00 0.00 C ATOM 540 O ASN A 35 6.220 1.610 -12.132 1.00 0.00 O ATOM 541 CB ASN A 35 8.686 2.713 -10.422 1.00 0.00 C ATOM 542 CG ASN A 35 8.883 2.774 -11.954 1.00 0.00 C ATOM 543 OD1 ASN A 35 8.443 3.710 -12.575 1.00 0.00 O ATOM 544 ND2 ASN A 35 9.535 1.803 -12.554 1.00 0.00 N ATOM 0 H ASN A 35 7.743 1.933 -8.198 1.00 0.00 H new ATOM 0 HA ASN A 35 6.668 3.383 -10.345 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.998 3.648 -9.956 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.296 1.921 -9.987 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.677 1.832 -13.564 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.899 1.021 -12.010 1.00 0.00 H new ATOM 551 N GLN A 36 7.091 0.098 -10.732 1.00 0.00 N ATOM 552 CA GLN A 36 6.722 -1.109 -11.521 1.00 0.00 C ATOM 553 C GLN A 36 5.360 -0.887 -12.230 1.00 0.00 C ATOM 554 O GLN A 36 5.101 -1.288 -13.330 1.00 0.00 O ATOM 555 CB GLN A 36 6.499 -2.254 -10.532 1.00 0.00 C ATOM 556 CG GLN A 36 7.811 -2.991 -10.358 1.00 0.00 C ATOM 557 CD GLN A 36 7.583 -4.438 -9.886 1.00 0.00 C ATOM 558 OE1 GLN A 36 6.555 -4.746 -9.314 1.00 0.00 O ATOM 559 NE2 GLN A 36 8.488 -5.347 -10.098 1.00 0.00 N ATOM 0 H GLN A 36 7.594 -0.110 -9.869 1.00 0.00 H new ATOM 0 HA GLN A 36 7.506 -1.317 -12.249 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.151 -1.867 -9.575 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.729 -2.931 -10.901 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.355 -2.996 -11.302 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.433 -2.464 -9.634 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.355 -5.102 -10.577 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.331 -6.305 -9.786 1.00 0.00 H new ATOM 568 N PHE A 37 4.522 -0.195 -11.484 1.00 0.00 N ATOM 569 CA PHE A 37 3.122 0.209 -11.874 1.00 0.00 C ATOM 570 C PHE A 37 3.021 1.573 -12.568 1.00 0.00 C ATOM 571 O PHE A 37 3.540 2.584 -12.112 1.00 0.00 O ATOM 572 CB PHE A 37 2.270 0.172 -10.566 1.00 0.00 C ATOM 573 CG PHE A 37 2.510 -1.227 -9.988 1.00 0.00 C ATOM 574 CD1 PHE A 37 1.915 -2.361 -10.570 1.00 0.00 C ATOM 575 CD2 PHE A 37 3.342 -1.391 -8.863 1.00 0.00 C ATOM 576 CE1 PHE A 37 2.128 -3.647 -10.062 1.00 0.00 C ATOM 577 CE2 PHE A 37 3.538 -2.684 -8.380 1.00 0.00 C ATOM 578 CZ PHE A 37 2.950 -3.824 -8.953 1.00 0.00 C ATOM 0 H PHE A 37 4.775 0.129 -10.550 1.00 0.00 H new ATOM 0 HA PHE A 37 2.752 -0.489 -12.625 1.00 0.00 H new ATOM 0 HB2 PHE A 37 2.582 0.948 -9.868 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.213 0.338 -10.776 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.277 -2.236 -11.432 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.813 -0.542 -8.390 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.656 -4.499 -10.529 1.00 0.00 H new ATOM 0 HE2 PHE A 37 4.176 -2.816 -7.519 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.130 -4.808 -8.545 1.00 0.00 H new ATOM 588 N PRO A 38 2.329 1.581 -13.695 1.00 0.00 N ATOM 589 CA PRO A 38 2.146 2.828 -14.471 1.00 0.00 C ATOM 590 C PRO A 38 1.345 3.838 -13.607 1.00 0.00 C ATOM 591 O PRO A 38 1.284 5.027 -13.831 1.00 0.00 O ATOM 592 CB PRO A 38 1.325 2.424 -15.678 1.00 0.00 C ATOM 593 CG PRO A 38 0.691 1.045 -15.417 1.00 0.00 C ATOM 594 CD PRO A 38 1.655 0.459 -14.357 1.00 0.00 C ATOM 0 HA PRO A 38 3.090 3.291 -14.758 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.549 3.165 -15.870 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.956 2.386 -16.566 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.330 1.127 -15.043 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.652 0.434 -16.319 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.106 -0.139 -13.630 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.384 -0.201 -14.827 1.00 0.00 H new ATOM 602 N GLY A 39 0.722 3.292 -12.588 1.00 0.00 N ATOM 603 CA GLY A 39 -0.112 4.088 -11.619 1.00 0.00 C ATOM 604 C GLY A 39 0.757 4.897 -10.639 1.00 0.00 C ATOM 605 O GLY A 39 0.204 5.680 -9.917 1.00 0.00 O ATOM 0 H GLY A 39 0.757 2.294 -12.379 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.762 4.766 -12.172 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.759 3.413 -11.058 1.00 0.00 H new ATOM 609 N PHE A 40 2.019 4.643 -10.694 1.00 0.00 N ATOM 610 CA PHE A 40 3.043 5.312 -9.834 1.00 0.00 C ATOM 611 C PHE A 40 2.716 6.801 -9.705 1.00 0.00 C ATOM 612 O PHE A 40 3.093 7.556 -10.551 1.00 0.00 O ATOM 613 CB PHE A 40 4.407 5.180 -10.484 1.00 0.00 C ATOM 614 CG PHE A 40 5.445 6.054 -9.811 1.00 0.00 C ATOM 615 CD1 PHE A 40 5.981 5.636 -8.576 1.00 0.00 C ATOM 616 CD2 PHE A 40 5.876 7.255 -10.391 1.00 0.00 C ATOM 617 CE1 PHE A 40 6.947 6.409 -7.912 1.00 0.00 C ATOM 618 CE2 PHE A 40 6.838 8.015 -9.723 1.00 0.00 C ATOM 619 CZ PHE A 40 7.373 7.606 -8.498 1.00 0.00 C ATOM 0 H PHE A 40 2.417 3.958 -11.337 1.00 0.00 H new ATOM 0 HA PHE A 40 3.042 4.843 -8.850 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.728 4.139 -10.443 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.334 5.450 -11.537 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.644 4.709 -8.135 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.472 7.586 -11.336 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.354 6.085 -6.965 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.177 8.941 -10.163 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.116 8.214 -8.004 1.00 0.00 H new ATOM 629 N LYS A 41 2.018 7.151 -8.643 1.00 0.00 N ATOM 630 CA LYS A 41 1.670 8.583 -8.482 1.00 0.00 C ATOM 631 C LYS A 41 2.213 9.243 -7.229 1.00 0.00 C ATOM 632 O LYS A 41 2.863 10.280 -7.313 1.00 0.00 O ATOM 633 CB LYS A 41 0.131 8.683 -8.460 1.00 0.00 C ATOM 634 CG LYS A 41 -0.391 9.819 -9.310 1.00 0.00 C ATOM 635 CD LYS A 41 -0.108 11.144 -8.573 1.00 0.00 C ATOM 636 CE LYS A 41 -0.711 12.319 -9.328 1.00 0.00 C ATOM 637 NZ LYS A 41 -1.168 13.304 -8.293 1.00 0.00 N ATOM 0 H LYS A 41 1.689 6.523 -7.910 1.00 0.00 H new ATOM 0 HA LYS A 41 2.131 9.114 -9.315 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.295 7.744 -8.814 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.206 8.819 -7.432 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.093 9.816 -10.286 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.461 9.702 -9.485 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.523 11.101 -7.566 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.968 11.286 -8.469 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.024 12.770 -9.994 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.546 11.994 -9.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.590 14.130 -8.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.876 12.857 -7.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.355 13.609 -7.721 1.00 0.00 H new ATOM 651 N GLU A 42 1.997 8.721 -6.072 1.00 0.00 N ATOM 652 CA GLU A 42 2.469 9.281 -4.784 1.00 0.00 C ATOM 653 C GLU A 42 3.206 8.138 -4.061 1.00 0.00 C ATOM 654 O GLU A 42 2.724 7.038 -4.112 1.00 0.00 O ATOM 655 CB GLU A 42 1.362 9.834 -3.907 1.00 0.00 C ATOM 656 CG GLU A 42 1.973 10.860 -2.933 1.00 0.00 C ATOM 657 CD GLU A 42 1.341 12.215 -3.220 1.00 0.00 C ATOM 658 OE1 GLU A 42 0.139 12.316 -3.127 1.00 0.00 O ATOM 659 OE2 GLU A 42 2.131 13.107 -3.525 1.00 0.00 O ATOM 0 H GLU A 42 1.468 7.856 -5.956 1.00 0.00 H new ATOM 0 HA GLU A 42 3.114 10.136 -4.986 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.594 10.305 -4.520 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.879 9.028 -3.354 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.787 10.563 -1.901 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.054 10.909 -3.060 1.00 0.00 H new ATOM 666 N VAL A 43 4.293 8.482 -3.460 1.00 0.00 N ATOM 667 CA VAL A 43 5.179 7.570 -2.719 1.00 0.00 C ATOM 668 C VAL A 43 5.830 8.382 -1.586 1.00 0.00 C ATOM 669 O VAL A 43 6.581 9.311 -1.781 1.00 0.00 O ATOM 670 CB VAL A 43 6.227 7.060 -3.701 1.00 0.00 C ATOM 671 CG1 VAL A 43 5.485 6.361 -4.857 1.00 0.00 C ATOM 672 CG2 VAL A 43 7.017 8.217 -4.317 1.00 0.00 C ATOM 0 H VAL A 43 4.628 9.445 -3.456 1.00 0.00 H new ATOM 0 HA VAL A 43 4.648 6.721 -2.289 1.00 0.00 H new ATOM 0 HB VAL A 43 6.908 6.395 -3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.209 5.984 -5.579 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.899 5.531 -4.464 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.822 7.074 -5.347 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.757 7.822 -5.013 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.335 8.880 -4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.522 8.774 -3.528 1.00 0.00 H new ATOM 682 N ARG A 44 5.467 7.986 -0.418 1.00 0.00 N ATOM 683 CA ARG A 44 5.929 8.667 0.833 1.00 0.00 C ATOM 684 C ARG A 44 6.536 7.583 1.745 1.00 0.00 C ATOM 685 O ARG A 44 5.788 6.917 2.402 1.00 0.00 O ATOM 686 CB ARG A 44 4.790 9.390 1.528 1.00 0.00 C ATOM 687 CG ARG A 44 5.110 10.890 1.562 1.00 0.00 C ATOM 688 CD ARG A 44 5.351 11.257 3.029 1.00 0.00 C ATOM 689 NE ARG A 44 6.727 10.780 3.370 1.00 0.00 N ATOM 690 CZ ARG A 44 7.712 11.603 3.521 1.00 0.00 C ATOM 691 NH1 ARG A 44 8.081 12.377 2.554 1.00 0.00 N ATOM 692 NH2 ARG A 44 8.378 11.693 4.650 1.00 0.00 N ATOM 0 H ARG A 44 4.848 7.192 -0.257 1.00 0.00 H new ATOM 0 HA ARG A 44 6.672 9.428 0.594 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.853 9.215 1.000 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.661 9.008 2.541 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.990 11.111 0.958 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.286 11.471 1.148 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.266 12.333 3.178 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.608 10.787 3.673 1.00 0.00 H new ATOM 0 HE ARG A 44 6.892 9.780 3.486 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.593 12.343 1.659 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.860 13.022 2.686 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.123 11.102 5.441 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.151 12.354 4.735 1.00 0.00 H new ATOM 706 N LEU A 45 7.816 7.522 1.680 1.00 0.00 N ATOM 707 CA LEU A 45 8.658 6.580 2.473 1.00 0.00 C ATOM 708 C LEU A 45 10.032 7.194 2.625 1.00 0.00 C ATOM 709 O LEU A 45 10.852 6.973 1.738 1.00 0.00 O ATOM 710 CB LEU A 45 8.782 5.312 1.584 1.00 0.00 C ATOM 711 CG LEU A 45 9.344 4.113 2.339 1.00 0.00 C ATOM 712 CD1 LEU A 45 10.732 4.408 2.928 1.00 0.00 C ATOM 713 CD2 LEU A 45 8.403 3.639 3.462 1.00 0.00 C ATOM 0 H LEU A 45 8.363 8.127 1.067 1.00 0.00 H new ATOM 0 HA LEU A 45 8.242 6.363 3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.800 5.056 1.185 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.425 5.533 0.732 1.00 0.00 H new ATOM 0 HG LEU A 45 9.435 3.314 1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.097 3.528 3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.423 4.659 2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.662 5.246 3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.846 2.783 3.971 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.253 4.448 4.177 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.443 3.350 3.034 1.00 0.00 H new ATOM 725 N VAL A 46 10.312 7.977 3.658 1.00 0.00 N ATOM 726 CA VAL A 46 11.629 8.614 3.665 1.00 0.00 C ATOM 727 C VAL A 46 12.145 9.166 4.984 1.00 0.00 C ATOM 728 O VAL A 46 13.356 9.361 5.052 1.00 0.00 O ATOM 729 CB VAL A 46 11.519 9.823 2.674 1.00 0.00 C ATOM 730 CG1 VAL A 46 11.430 11.127 3.474 1.00 0.00 C ATOM 731 CG2 VAL A 46 12.758 9.866 1.791 1.00 0.00 C ATOM 0 H VAL A 46 9.700 8.179 4.449 1.00 0.00 H new ATOM 0 HA VAL A 46 12.338 7.828 3.406 1.00 0.00 H new ATOM 0 HB VAL A 46 10.629 9.707 2.055 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.353 11.970 2.788 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.550 11.101 4.116 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.324 11.239 4.088 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.684 10.706 1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 46 13.645 9.985 2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 46 12.834 8.937 1.225 1.00 0.00 H new ATOM 741 N PRO A 47 11.339 9.441 5.951 1.00 0.00 N ATOM 742 CA PRO A 47 11.874 10.034 7.205 1.00 0.00 C ATOM 743 C PRO A 47 12.841 9.119 7.935 1.00 0.00 C ATOM 744 O PRO A 47 13.221 8.111 7.372 1.00 0.00 O ATOM 745 CB PRO A 47 10.734 10.390 8.162 1.00 0.00 C ATOM 746 CG PRO A 47 9.460 9.997 7.407 1.00 0.00 C ATOM 747 CD PRO A 47 9.906 9.301 6.103 1.00 0.00 C ATOM 0 HA PRO A 47 12.418 10.928 6.900 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.821 9.846 9.103 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.738 11.452 8.406 1.00 0.00 H new ATOM 0 HG2 PRO A 47 8.845 9.329 8.010 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.855 10.877 7.187 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.633 8.246 6.129 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.393 9.742 5.248 1.00 0.00 H new ATOM 755 N GLY A 48 13.222 9.442 9.158 1.00 0.00 N ATOM 756 CA GLY A 48 14.140 8.494 9.880 1.00 0.00 C ATOM 757 C GLY A 48 13.385 7.142 9.875 1.00 0.00 C ATOM 758 O GLY A 48 13.954 6.083 9.885 1.00 0.00 O ATOM 0 H GLY A 48 12.951 10.283 9.667 1.00 0.00 H new ATOM 0 HA2 GLY A 48 15.103 8.413 9.375 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.340 8.833 10.896 1.00 0.00 H new ATOM 762 N ARG A 49 12.074 7.282 9.835 1.00 0.00 N ATOM 763 CA ARG A 49 11.125 6.159 9.776 1.00 0.00 C ATOM 764 C ARG A 49 11.604 5.147 8.712 1.00 0.00 C ATOM 765 O ARG A 49 12.151 4.158 9.119 1.00 0.00 O ATOM 766 CB ARG A 49 9.736 6.708 9.362 1.00 0.00 C ATOM 767 CG ARG A 49 8.994 7.053 10.654 1.00 0.00 C ATOM 768 CD ARG A 49 7.786 7.929 10.247 1.00 0.00 C ATOM 769 NE ARG A 49 8.124 9.339 10.592 1.00 0.00 N ATOM 770 CZ ARG A 49 7.459 9.981 11.502 1.00 0.00 C ATOM 771 NH1 ARG A 49 7.358 9.473 12.690 1.00 0.00 N ATOM 772 NH2 ARG A 49 6.882 11.131 11.249 1.00 0.00 N ATOM 0 H ARG A 49 11.618 8.194 9.842 1.00 0.00 H new ATOM 0 HA ARG A 49 11.063 5.669 10.748 1.00 0.00 H new ATOM 0 HB2 ARG A 49 9.842 7.590 8.730 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.183 5.966 8.785 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.663 6.149 11.164 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.646 7.588 11.345 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.584 7.832 9.180 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.886 7.610 10.772 1.00 0.00 H new ATOM 0 HE ARG A 49 8.889 9.806 10.105 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.799 8.578 12.901 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.838 9.968 13.414 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.950 11.542 10.318 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.365 11.615 11.983 1.00 0.00 H new ATOM 786 N HIS A 50 11.335 5.467 7.472 1.00 0.00 N ATOM 787 CA HIS A 50 11.704 4.477 6.366 1.00 0.00 C ATOM 788 C HIS A 50 10.751 3.268 6.611 1.00 0.00 C ATOM 789 O HIS A 50 10.955 2.188 6.127 1.00 0.00 O ATOM 790 CB HIS A 50 13.124 3.937 6.442 1.00 0.00 C ATOM 791 CG HIS A 50 14.098 5.090 6.408 1.00 0.00 C ATOM 792 ND1 HIS A 50 15.162 5.201 7.294 1.00 0.00 N ATOM 793 CD2 HIS A 50 14.182 6.200 5.596 1.00 0.00 C ATOM 794 CE1 HIS A 50 15.825 6.334 6.993 1.00 0.00 C ATOM 795 NE2 HIS A 50 15.272 6.980 5.971 1.00 0.00 N ATOM 0 H HIS A 50 10.893 6.333 7.165 1.00 0.00 H new ATOM 0 HA HIS A 50 11.620 4.978 5.402 1.00 0.00 H new ATOM 0 HB2 HIS A 50 13.258 3.360 7.357 1.00 0.00 H new ATOM 0 HB3 HIS A 50 13.314 3.261 5.608 1.00 0.00 H new ATOM 0 HD2 HIS A 50 13.503 6.431 4.788 1.00 0.00 H new ATOM 0 HE1 HIS A 50 16.703 6.677 7.520 1.00 0.00 H new ATOM 0 HE2 HIS A 50 15.580 7.858 5.552 1.00 0.00 H new ATOM 804 N ASP A 51 9.724 3.547 7.394 1.00 0.00 N ATOM 805 CA ASP A 51 8.730 2.492 7.760 1.00 0.00 C ATOM 806 C ASP A 51 7.272 2.905 7.637 1.00 0.00 C ATOM 807 O ASP A 51 6.407 2.147 7.977 1.00 0.00 O ATOM 808 CB ASP A 51 8.939 2.011 9.212 1.00 0.00 C ATOM 809 CG ASP A 51 8.240 2.942 10.197 1.00 0.00 C ATOM 810 OD1 ASP A 51 8.809 3.969 10.496 1.00 0.00 O ATOM 811 OD2 ASP A 51 7.153 2.574 10.609 1.00 0.00 O ATOM 0 H ASP A 51 9.538 4.467 7.793 1.00 0.00 H new ATOM 0 HA ASP A 51 8.918 1.703 7.032 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.551 0.999 9.324 1.00 0.00 H new ATOM 0 HB3 ASP A 51 10.005 1.971 9.437 1.00 0.00 H new ATOM 816 N ILE A 52 6.954 4.079 7.119 1.00 0.00 N ATOM 817 CA ILE A 52 5.599 4.590 6.907 1.00 0.00 C ATOM 818 C ILE A 52 5.498 4.829 5.382 1.00 0.00 C ATOM 819 O ILE A 52 6.181 5.630 4.801 1.00 0.00 O ATOM 820 CB ILE A 52 5.225 5.831 7.683 1.00 0.00 C ATOM 821 CG1 ILE A 52 5.751 7.131 7.042 1.00 0.00 C ATOM 822 CG2 ILE A 52 5.668 5.730 9.156 1.00 0.00 C ATOM 823 CD1 ILE A 52 7.258 7.158 6.930 1.00 0.00 C ATOM 0 H ILE A 52 7.668 4.741 6.817 1.00 0.00 H new ATOM 0 HA ILE A 52 4.885 3.860 7.288 1.00 0.00 H new ATOM 0 HB ILE A 52 4.137 5.886 7.650 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.315 7.244 6.049 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.420 7.984 7.635 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.383 6.640 9.685 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.185 4.872 9.623 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.750 5.607 9.203 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.572 8.096 6.472 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.698 7.074 7.924 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.592 6.323 6.314 1.00 0.00 H new ATOM 835 N ALA A 53 4.643 4.053 4.755 1.00 0.00 N ATOM 836 CA ALA A 53 4.496 4.068 3.293 1.00 0.00 C ATOM 837 C ALA A 53 3.089 4.583 2.907 1.00 0.00 C ATOM 838 O ALA A 53 2.121 3.962 3.284 1.00 0.00 O ATOM 839 CB ALA A 53 4.697 2.696 2.661 1.00 0.00 C ATOM 0 H ALA A 53 4.027 3.392 5.229 1.00 0.00 H new ATOM 0 HA ALA A 53 5.273 4.731 2.913 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.576 2.772 1.580 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.699 2.334 2.889 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.960 2.000 3.061 1.00 0.00 H new ATOM 845 N PHE A 54 3.147 5.670 2.207 1.00 0.00 N ATOM 846 CA PHE A 54 1.956 6.370 1.600 1.00 0.00 C ATOM 847 C PHE A 54 2.101 6.316 0.056 1.00 0.00 C ATOM 848 O PHE A 54 2.932 6.945 -0.551 1.00 0.00 O ATOM 849 CB PHE A 54 1.826 7.825 2.008 1.00 0.00 C ATOM 850 CG PHE A 54 0.374 8.200 2.304 1.00 0.00 C ATOM 851 CD1 PHE A 54 -0.492 8.299 1.212 1.00 0.00 C ATOM 852 CD2 PHE A 54 0.004 8.419 3.624 1.00 0.00 C ATOM 853 CE1 PHE A 54 -1.829 8.647 1.496 1.00 0.00 C ATOM 854 CE2 PHE A 54 -1.320 8.765 3.890 1.00 0.00 C ATOM 855 CZ PHE A 54 -2.212 8.873 2.825 1.00 0.00 C ATOM 0 H PHE A 54 4.028 6.145 2.010 1.00 0.00 H new ATOM 0 HA PHE A 54 1.066 5.855 1.962 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.438 8.012 2.891 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.212 8.462 1.212 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.155 8.118 0.202 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.723 8.324 4.424 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.550 8.738 0.697 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.648 8.946 4.903 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.238 9.141 3.032 1.00 0.00 H new ATOM 865 N VAL A 55 1.236 5.465 -0.504 1.00 0.00 N ATOM 866 CA VAL A 55 1.216 5.130 -1.931 1.00 0.00 C ATOM 867 C VAL A 55 -0.137 5.421 -2.569 1.00 0.00 C ATOM 868 O VAL A 55 -1.193 4.857 -2.390 1.00 0.00 O ATOM 869 CB VAL A 55 1.608 3.629 -2.051 1.00 0.00 C ATOM 870 CG1 VAL A 55 0.408 2.719 -2.091 1.00 0.00 C ATOM 871 CG2 VAL A 55 2.416 3.423 -3.321 1.00 0.00 C ATOM 0 H VAL A 55 0.516 4.980 0.032 1.00 0.00 H new ATOM 0 HA VAL A 55 1.926 5.752 -2.476 1.00 0.00 H new ATOM 0 HB VAL A 55 2.191 3.375 -1.165 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.739 1.684 -2.175 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.172 2.841 -1.176 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.212 2.973 -2.951 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.693 2.373 -3.410 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.818 3.714 -4.184 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.318 4.034 -3.282 1.00 0.00 H new ATOM 881 N GLU A 56 -0.043 6.391 -3.422 1.00 0.00 N ATOM 882 CA GLU A 56 -1.143 6.933 -4.284 1.00 0.00 C ATOM 883 C GLU A 56 -0.849 6.448 -5.726 1.00 0.00 C ATOM 884 O GLU A 56 0.057 6.852 -6.394 1.00 0.00 O ATOM 885 CB GLU A 56 -1.187 8.453 -4.314 1.00 0.00 C ATOM 886 CG GLU A 56 -2.551 8.896 -4.869 1.00 0.00 C ATOM 887 CD GLU A 56 -2.374 10.244 -5.571 1.00 0.00 C ATOM 888 OE1 GLU A 56 -1.507 10.977 -5.142 1.00 0.00 O ATOM 889 OE2 GLU A 56 -3.103 10.509 -6.510 1.00 0.00 O ATOM 0 H GLU A 56 0.839 6.881 -3.574 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.096 6.587 -3.884 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.038 8.855 -3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.381 8.842 -4.937 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.935 8.153 -5.567 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.279 8.982 -4.062 1.00 0.00 H new ATOM 896 N PHE A 57 -1.649 5.498 -6.130 1.00 0.00 N ATOM 897 CA PHE A 57 -1.524 4.780 -7.422 1.00 0.00 C ATOM 898 C PHE A 57 -2.680 5.144 -8.385 1.00 0.00 C ATOM 899 O PHE A 57 -3.742 4.645 -8.165 1.00 0.00 O ATOM 900 CB PHE A 57 -1.783 3.279 -7.125 1.00 0.00 C ATOM 901 CG PHE A 57 -0.578 2.486 -6.746 1.00 0.00 C ATOM 902 CD1 PHE A 57 0.309 2.062 -7.730 1.00 0.00 C ATOM 903 CD2 PHE A 57 -0.386 2.184 -5.373 1.00 0.00 C ATOM 904 CE1 PHE A 57 1.418 1.319 -7.338 1.00 0.00 C ATOM 905 CE2 PHE A 57 0.722 1.442 -4.987 1.00 0.00 C ATOM 906 CZ PHE A 57 1.606 1.023 -5.987 1.00 0.00 C ATOM 0 H PHE A 57 -2.438 5.174 -5.570 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.552 5.022 -7.851 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.514 3.206 -6.319 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.234 2.824 -8.007 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.141 2.303 -8.769 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.095 2.528 -4.635 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.129 0.974 -8.074 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.896 1.197 -3.950 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.472 0.445 -5.701 1.00 0.00 H new ATOM 916 N ASP A 58 -2.345 5.968 -9.304 1.00 0.00 N ATOM 917 CA ASP A 58 -3.279 6.475 -10.370 1.00 0.00 C ATOM 918 C ASP A 58 -4.611 5.742 -10.343 1.00 0.00 C ATOM 919 O ASP A 58 -5.676 6.306 -10.322 1.00 0.00 O ATOM 920 CB ASP A 58 -2.622 6.327 -11.747 1.00 0.00 C ATOM 921 CG ASP A 58 -3.507 7.023 -12.804 1.00 0.00 C ATOM 922 OD1 ASP A 58 -4.292 7.875 -12.457 1.00 0.00 O ATOM 923 OD2 ASP A 58 -3.351 6.658 -13.970 1.00 0.00 O ATOM 0 H ASP A 58 -1.402 6.349 -9.383 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.478 7.528 -10.172 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.626 6.770 -11.739 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.499 5.273 -11.994 1.00 0.00 H new ATOM 928 N ASN A 59 -4.593 4.423 -10.320 1.00 0.00 N ATOM 929 CA ASN A 59 -5.849 3.611 -10.233 1.00 0.00 C ATOM 930 C ASN A 59 -5.617 2.333 -9.389 1.00 0.00 C ATOM 931 O ASN A 59 -4.551 1.780 -9.329 1.00 0.00 O ATOM 932 CB ASN A 59 -6.443 3.295 -11.593 1.00 0.00 C ATOM 933 CG ASN A 59 -5.459 2.428 -12.359 1.00 0.00 C ATOM 934 OD1 ASN A 59 -5.108 1.337 -11.931 1.00 0.00 O ATOM 935 ND2 ASN A 59 -4.999 2.897 -13.491 1.00 0.00 N ATOM 0 H ASN A 59 -3.738 3.868 -10.359 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.593 4.223 -9.723 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.395 2.777 -11.479 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.644 4.215 -12.142 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.333 2.350 -14.037 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.306 3.809 -13.828 1.00 0.00 H new ATOM 942 N GLU A 60 -6.682 1.930 -8.767 1.00 0.00 N ATOM 943 CA GLU A 60 -6.746 0.711 -7.884 1.00 0.00 C ATOM 944 C GLU A 60 -6.342 -0.596 -8.592 1.00 0.00 C ATOM 945 O GLU A 60 -6.002 -1.584 -8.002 1.00 0.00 O ATOM 946 CB GLU A 60 -8.103 0.601 -7.190 1.00 0.00 C ATOM 947 CG GLU A 60 -9.231 0.491 -8.196 1.00 0.00 C ATOM 948 CD GLU A 60 -9.804 1.891 -8.419 1.00 0.00 C ATOM 949 OE1 GLU A 60 -10.690 2.317 -7.714 1.00 0.00 O ATOM 950 OE2 GLU A 60 -9.323 2.546 -9.326 1.00 0.00 O ATOM 0 H GLU A 60 -7.573 2.422 -8.833 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.988 0.856 -7.115 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.110 -0.272 -6.537 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.262 1.474 -6.557 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.865 0.075 -9.135 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.005 -0.183 -7.829 1.00 0.00 H new ATOM 957 N VAL A 61 -6.356 -0.689 -9.909 1.00 0.00 N ATOM 958 CA VAL A 61 -5.930 -1.956 -10.602 1.00 0.00 C ATOM 959 C VAL A 61 -4.392 -2.039 -10.371 1.00 0.00 C ATOM 960 O VAL A 61 -3.812 -3.050 -10.057 1.00 0.00 O ATOM 961 CB VAL A 61 -6.138 -1.805 -12.101 1.00 0.00 C ATOM 962 CG1 VAL A 61 -5.747 -3.118 -12.791 1.00 0.00 C ATOM 963 CG2 VAL A 61 -7.633 -1.533 -12.354 1.00 0.00 C ATOM 0 H VAL A 61 -6.646 0.063 -10.535 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.483 -2.820 -10.235 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.531 -0.988 -12.491 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.892 -3.021 -13.867 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.700 -3.340 -12.585 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.371 -3.928 -12.412 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.806 -1.421 -13.424 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.224 -2.367 -11.976 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.928 -0.618 -11.841 1.00 0.00 H new ATOM 973 N GLN A 62 -3.809 -0.868 -10.549 1.00 0.00 N ATOM 974 CA GLN A 62 -2.341 -0.766 -10.329 1.00 0.00 C ATOM 975 C GLN A 62 -2.057 -0.653 -8.836 1.00 0.00 C ATOM 976 O GLN A 62 -1.022 -1.128 -8.385 1.00 0.00 O ATOM 977 CB GLN A 62 -1.659 0.437 -11.014 1.00 0.00 C ATOM 978 CG GLN A 62 -2.184 0.699 -12.424 1.00 0.00 C ATOM 979 CD GLN A 62 -2.405 2.214 -12.627 1.00 0.00 C ATOM 980 OE1 GLN A 62 -2.790 2.896 -11.714 1.00 0.00 O ATOM 981 NE2 GLN A 62 -2.170 2.745 -13.791 1.00 0.00 N ATOM 0 H GLN A 62 -4.279 -0.007 -10.829 1.00 0.00 H new ATOM 0 HA GLN A 62 -1.928 -1.670 -10.776 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.810 1.328 -10.405 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.584 0.261 -11.060 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.475 0.324 -13.162 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.120 0.162 -12.579 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.844 2.161 -14.561 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.312 3.745 -13.933 1.00 0.00 H new ATOM 990 N ALA A 63 -2.881 -0.068 -8.049 1.00 0.00 N ATOM 991 CA ALA A 63 -2.577 0.046 -6.588 1.00 0.00 C ATOM 992 C ALA A 63 -2.729 -1.386 -6.039 1.00 0.00 C ATOM 993 O ALA A 63 -1.978 -1.865 -5.232 1.00 0.00 O ATOM 994 CB ALA A 63 -3.560 0.974 -5.900 1.00 0.00 C ATOM 0 H ALA A 63 -3.766 0.347 -8.340 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.583 0.458 -6.414 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.317 1.040 -4.839 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.499 1.966 -6.348 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.571 0.584 -6.017 1.00 0.00 H new ATOM 1000 N GLY A 64 -3.754 -2.003 -6.557 1.00 0.00 N ATOM 1001 CA GLY A 64 -4.143 -3.410 -6.207 1.00 0.00 C ATOM 1002 C GLY A 64 -3.059 -4.298 -6.761 1.00 0.00 C ATOM 1003 O GLY A 64 -2.708 -5.310 -6.178 1.00 0.00 O ATOM 0 H GLY A 64 -4.372 -1.570 -7.244 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.232 -3.532 -5.127 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.112 -3.664 -6.637 1.00 0.00 H new ATOM 1007 N ALA A 65 -2.484 -3.974 -7.884 1.00 0.00 N ATOM 1008 CA ALA A 65 -1.398 -4.804 -8.490 1.00 0.00 C ATOM 1009 C ALA A 65 -0.212 -4.728 -7.547 1.00 0.00 C ATOM 1010 O ALA A 65 0.332 -5.724 -7.088 1.00 0.00 O ATOM 1011 CB ALA A 65 -0.970 -4.295 -9.859 1.00 0.00 C ATOM 0 H ALA A 65 -2.727 -3.144 -8.425 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.763 -5.822 -8.628 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.180 -4.933 -10.254 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.823 -4.313 -10.537 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.600 -3.274 -9.768 1.00 0.00 H new ATOM 1017 N ALA A 66 0.259 -3.537 -7.193 1.00 0.00 N ATOM 1018 CA ALA A 66 1.406 -3.349 -6.275 1.00 0.00 C ATOM 1019 C ALA A 66 1.107 -4.003 -4.931 1.00 0.00 C ATOM 1020 O ALA A 66 1.869 -4.787 -4.377 1.00 0.00 O ATOM 1021 CB ALA A 66 1.569 -1.851 -6.022 1.00 0.00 C ATOM 0 H ALA A 66 -0.139 -2.661 -7.531 1.00 0.00 H new ATOM 0 HA ALA A 66 2.300 -3.788 -6.717 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.409 -1.685 -5.347 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.756 -1.341 -6.967 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.658 -1.457 -5.571 1.00 0.00 H new ATOM 1027 N ARG A 67 -0.022 -3.700 -4.360 1.00 0.00 N ATOM 1028 CA ARG A 67 -0.471 -4.236 -3.074 1.00 0.00 C ATOM 1029 C ARG A 67 -0.560 -5.758 -3.149 1.00 0.00 C ATOM 1030 O ARG A 67 -0.128 -6.417 -2.249 1.00 0.00 O ATOM 1031 CB ARG A 67 -1.862 -3.637 -2.763 1.00 0.00 C ATOM 1032 CG ARG A 67 -2.189 -3.628 -1.263 1.00 0.00 C ATOM 1033 CD ARG A 67 -2.465 -5.023 -0.704 1.00 0.00 C ATOM 1034 NE ARG A 67 -3.930 -5.171 -0.415 1.00 0.00 N ATOM 1035 CZ ARG A 67 -4.333 -5.402 0.810 1.00 0.00 C ATOM 1036 NH1 ARG A 67 -4.448 -4.410 1.652 1.00 0.00 N ATOM 1037 NH2 ARG A 67 -4.609 -6.614 1.171 1.00 0.00 N ATOM 0 H ARG A 67 -0.690 -3.052 -4.778 1.00 0.00 H new ATOM 0 HA ARG A 67 0.235 -3.972 -2.287 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.906 -2.617 -3.145 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.624 -4.209 -3.292 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.357 -3.182 -0.718 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.059 -2.995 -1.090 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.147 -5.781 -1.419 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.887 -5.181 0.206 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.611 -5.092 -1.171 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.224 -3.460 1.355 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.761 -4.585 2.607 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.512 -7.379 0.504 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.923 -6.804 2.123 1.00 0.00 H new ATOM 1051 N ASP A 68 -1.116 -6.289 -4.207 1.00 0.00 N ATOM 1052 CA ASP A 68 -1.263 -7.765 -4.392 1.00 0.00 C ATOM 1053 C ASP A 68 0.138 -8.356 -4.656 1.00 0.00 C ATOM 1054 O ASP A 68 0.447 -9.495 -4.373 1.00 0.00 O ATOM 1055 CB ASP A 68 -2.195 -8.139 -5.558 1.00 0.00 C ATOM 1056 CG ASP A 68 -2.329 -9.647 -5.675 1.00 0.00 C ATOM 1057 OD1 ASP A 68 -2.232 -10.290 -4.636 1.00 0.00 O ATOM 1058 OD2 ASP A 68 -2.521 -10.114 -6.787 1.00 0.00 O ATOM 0 H ASP A 68 -1.489 -5.738 -4.980 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.713 -8.172 -3.487 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.177 -7.693 -5.403 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.803 -7.730 -6.489 1.00 0.00 H new ATOM 1063 N ALA A 69 1.038 -7.583 -5.211 1.00 0.00 N ATOM 1064 CA ALA A 69 2.434 -8.061 -5.507 1.00 0.00 C ATOM 1065 C ALA A 69 3.179 -8.256 -4.171 1.00 0.00 C ATOM 1066 O ALA A 69 3.752 -9.309 -3.948 1.00 0.00 O ATOM 1067 CB ALA A 69 3.228 -7.051 -6.315 1.00 0.00 C ATOM 0 H ALA A 69 0.863 -6.615 -5.480 1.00 0.00 H new ATOM 0 HA ALA A 69 2.349 -8.985 -6.079 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.228 -7.441 -6.503 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.725 -6.869 -7.265 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.302 -6.117 -5.758 1.00 0.00 H new ATOM 1073 N LEU A 70 3.143 -7.252 -3.349 1.00 0.00 N ATOM 1074 CA LEU A 70 3.846 -7.392 -2.041 1.00 0.00 C ATOM 1075 C LEU A 70 2.785 -7.485 -0.917 1.00 0.00 C ATOM 1076 O LEU A 70 2.982 -6.933 0.161 1.00 0.00 O ATOM 1077 CB LEU A 70 4.830 -6.235 -1.758 1.00 0.00 C ATOM 1078 CG LEU A 70 4.191 -4.871 -2.002 1.00 0.00 C ATOM 1079 CD1 LEU A 70 4.775 -3.823 -1.069 1.00 0.00 C ATOM 1080 CD2 LEU A 70 4.478 -4.491 -3.465 1.00 0.00 C ATOM 0 H LEU A 70 2.673 -6.362 -3.514 1.00 0.00 H new ATOM 0 HA LEU A 70 4.449 -8.300 -2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.174 -6.295 -0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.709 -6.343 -2.393 1.00 0.00 H new ATOM 0 HG LEU A 70 3.119 -4.917 -1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.303 -2.860 -1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.593 -4.115 -0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.849 -3.742 -1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.036 -3.518 -3.682 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.555 -4.444 -3.624 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.046 -5.241 -4.127 1.00 0.00 H new ATOM 1092 N GLN A 71 1.675 -8.162 -1.149 1.00 0.00 N ATOM 1093 CA GLN A 71 0.585 -8.317 -0.151 1.00 0.00 C ATOM 1094 C GLN A 71 0.958 -9.182 1.051 1.00 0.00 C ATOM 1095 O GLN A 71 0.146 -9.977 1.504 1.00 0.00 O ATOM 1096 CB GLN A 71 -0.683 -8.943 -0.772 1.00 0.00 C ATOM 1097 CG GLN A 71 -1.872 -8.608 0.117 1.00 0.00 C ATOM 1098 CD GLN A 71 -2.622 -9.904 0.426 1.00 0.00 C ATOM 1099 OE1 GLN A 71 -3.044 -10.607 -0.459 1.00 0.00 O ATOM 1100 NE2 GLN A 71 -2.806 -10.243 1.658 1.00 0.00 N ATOM 0 H GLN A 71 1.485 -8.630 -2.035 1.00 0.00 H new ATOM 0 HA GLN A 71 0.401 -7.297 0.186 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.842 -8.557 -1.779 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.568 -10.023 -0.860 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.535 -8.135 1.040 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.531 -7.898 -0.382 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.450 -9.651 2.408 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.307 -11.103 1.881 1.00 0.00 H new ATOM 1109 N GLY A 72 2.113 -9.108 1.618 1.00 0.00 N ATOM 1110 CA GLY A 72 2.460 -9.968 2.805 1.00 0.00 C ATOM 1111 C GLY A 72 3.985 -9.811 2.968 1.00 0.00 C ATOM 1112 O GLY A 72 4.733 -10.749 3.112 1.00 0.00 O ATOM 0 H GLY A 72 2.859 -8.481 1.317 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.930 -9.641 3.700 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.185 -11.009 2.634 1.00 0.00 H new ATOM 1116 N PHE A 73 4.371 -8.562 2.907 1.00 0.00 N ATOM 1117 CA PHE A 73 5.827 -8.311 3.011 1.00 0.00 C ATOM 1118 C PHE A 73 6.222 -8.715 4.452 1.00 0.00 C ATOM 1119 O PHE A 73 6.127 -7.859 5.280 1.00 0.00 O ATOM 1120 CB PHE A 73 6.172 -6.877 2.688 1.00 0.00 C ATOM 1121 CG PHE A 73 7.606 -6.715 2.208 1.00 0.00 C ATOM 1122 CD1 PHE A 73 8.672 -7.234 2.958 1.00 0.00 C ATOM 1123 CD2 PHE A 73 7.878 -6.032 1.003 1.00 0.00 C ATOM 1124 CE1 PHE A 73 9.981 -7.060 2.490 1.00 0.00 C ATOM 1125 CE2 PHE A 73 9.180 -5.856 0.538 1.00 0.00 C ATOM 1126 CZ PHE A 73 10.229 -6.374 1.285 1.00 0.00 C ATOM 0 H PHE A 73 3.770 -7.745 2.795 1.00 0.00 H new ATOM 0 HA PHE A 73 6.389 -8.896 2.283 1.00 0.00 H new ATOM 0 HB2 PHE A 73 5.492 -6.507 1.921 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.018 -6.261 3.574 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.486 -7.760 3.883 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.056 -5.635 0.426 1.00 0.00 H new ATOM 0 HE1 PHE A 73 10.809 -7.456 3.059 1.00 0.00 H new ATOM 0 HE2 PHE A 73 9.369 -5.327 -0.385 1.00 0.00 H new ATOM 0 HZ PHE A 73 11.245 -6.250 0.939 1.00 0.00 H new ATOM 1136 N LYS A 74 6.589 -9.948 4.616 1.00 0.00 N ATOM 1137 CA LYS A 74 7.051 -10.538 5.872 1.00 0.00 C ATOM 1138 C LYS A 74 8.012 -9.677 6.680 1.00 0.00 C ATOM 1139 O LYS A 74 9.032 -10.213 7.103 1.00 0.00 O ATOM 1140 CB LYS A 74 7.634 -11.966 5.694 1.00 0.00 C ATOM 1141 CG LYS A 74 8.399 -12.127 4.413 1.00 0.00 C ATOM 1142 CD LYS A 74 9.692 -12.921 4.677 1.00 0.00 C ATOM 1143 CE LYS A 74 9.297 -14.352 5.003 1.00 0.00 C ATOM 1144 NZ LYS A 74 8.835 -15.024 3.738 1.00 0.00 N ATOM 0 H LYS A 74 6.581 -10.620 3.848 1.00 0.00 H new ATOM 0 HA LYS A 74 6.135 -10.603 6.459 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.290 -12.193 6.534 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.821 -12.691 5.720 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.787 -12.645 3.675 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.640 -11.149 3.997 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.343 -12.894 3.803 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.249 -12.480 5.504 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.144 -14.890 5.429 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.503 -14.364 5.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.965 -16.052 3.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.829 -14.814 3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.392 -14.671 2.934 1.00 0.00 H new ATOM 1158 N ILE A 75 7.732 -8.452 6.893 1.00 0.00 N ATOM 1159 CA ILE A 75 8.693 -7.736 7.815 1.00 0.00 C ATOM 1160 C ILE A 75 8.311 -8.532 9.106 1.00 0.00 C ATOM 1161 O ILE A 75 9.144 -8.573 9.934 1.00 0.00 O ATOM 1162 CB ILE A 75 8.238 -6.295 7.886 1.00 0.00 C ATOM 1163 CG1 ILE A 75 8.777 -5.489 6.679 1.00 0.00 C ATOM 1164 CG2 ILE A 75 8.627 -5.653 9.211 1.00 0.00 C ATOM 1165 CD1 ILE A 75 10.150 -5.958 6.240 1.00 0.00 C ATOM 0 H ILE A 75 6.948 -7.919 6.517 1.00 0.00 H new ATOM 0 HA ILE A 75 9.757 -7.709 7.578 1.00 0.00 H new ATOM 0 HB ILE A 75 7.149 -6.283 7.834 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.081 -5.579 5.845 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.824 -4.432 6.942 1.00 0.00 H new ATOM 0 HG21 ILE A 75 8.285 -4.618 9.228 1.00 0.00 H new ATOM 0 HG22 ILE A 75 8.164 -6.202 10.031 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.711 -5.679 9.323 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.484 -5.362 5.391 1.00 0.00 H new ATOM 0 HD12 ILE A 75 10.854 -5.843 7.064 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.100 -7.007 5.949 1.00 0.00 H new ATOM 1177 N THR A 76 7.110 -9.088 9.084 1.00 0.00 N ATOM 1178 CA THR A 76 6.533 -9.973 10.103 1.00 0.00 C ATOM 1179 C THR A 76 7.619 -10.931 10.559 1.00 0.00 C ATOM 1180 O THR A 76 7.531 -11.458 11.630 1.00 0.00 O ATOM 1181 CB THR A 76 5.741 -11.020 9.246 1.00 0.00 C ATOM 1182 OG1 THR A 76 4.616 -10.542 8.632 1.00 0.00 O ATOM 1183 CG2 THR A 76 5.363 -12.030 10.304 1.00 0.00 C ATOM 0 H THR A 76 6.466 -8.928 8.309 1.00 0.00 H new ATOM 0 HA THR A 76 6.033 -9.397 10.882 1.00 0.00 H new ATOM 0 HB THR A 76 6.336 -11.386 8.409 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.381 -11.125 7.880 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.793 -12.839 9.847 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.267 -12.435 10.760 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.756 -11.546 11.069 1.00 0.00 H new ATOM 1191 N GLN A 77 8.549 -11.088 9.667 1.00 0.00 N ATOM 1192 CA GLN A 77 9.722 -11.936 10.110 1.00 0.00 C ATOM 1193 C GLN A 77 9.966 -11.265 11.498 1.00 0.00 C ATOM 1194 O GLN A 77 10.587 -11.779 12.387 1.00 0.00 O ATOM 1195 CB GLN A 77 10.901 -11.863 9.202 1.00 0.00 C ATOM 1196 CG GLN A 77 12.153 -12.084 10.082 1.00 0.00 C ATOM 1197 CD GLN A 77 13.289 -12.728 9.321 1.00 0.00 C ATOM 1198 OE1 GLN A 77 14.196 -13.244 9.935 1.00 0.00 O ATOM 1199 NE2 GLN A 77 13.316 -12.746 8.029 1.00 0.00 N ATOM 0 H GLN A 77 8.571 -10.708 8.721 1.00 0.00 H new ATOM 0 HA GLN A 77 9.543 -13.011 10.123 1.00 0.00 H new ATOM 0 HB2 GLN A 77 10.837 -12.622 8.422 1.00 0.00 H new ATOM 0 HB3 GLN A 77 10.945 -10.896 8.702 1.00 0.00 H new ATOM 0 HG2 GLN A 77 12.485 -11.126 10.483 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.889 -12.711 10.933 1.00 0.00 H new ATOM 0 HE21 GLN A 77 12.560 -12.316 7.497 1.00 0.00 H new ATOM 0 HE22 GLN A 77 14.094 -13.191 7.541 1.00 0.00 H new ATOM 1208 N ASN A 78 9.377 -10.083 11.601 1.00 0.00 N ATOM 1209 CA ASN A 78 9.324 -9.249 12.800 1.00 0.00 C ATOM 1210 C ASN A 78 7.846 -8.740 12.798 1.00 0.00 C ATOM 1211 O ASN A 78 7.145 -8.849 13.768 1.00 0.00 O ATOM 1212 CB ASN A 78 10.255 -8.055 12.551 1.00 0.00 C ATOM 1213 CG ASN A 78 10.738 -7.394 13.822 1.00 0.00 C ATOM 1214 OD1 ASN A 78 10.111 -6.492 14.353 1.00 0.00 O ATOM 1215 ND2 ASN A 78 11.855 -7.807 14.364 1.00 0.00 N ATOM 0 H ASN A 78 8.897 -9.654 10.810 1.00 0.00 H new ATOM 0 HA ASN A 78 9.608 -9.750 13.725 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.117 -8.390 11.975 1.00 0.00 H new ATOM 0 HB3 ASN A 78 9.732 -7.317 11.943 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.195 -7.375 15.223 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.386 -8.561 13.927 1.00 0.00 H new ATOM 1222 N ASN A 79 7.385 -8.217 11.674 1.00 0.00 N ATOM 1223 CA ASN A 79 6.016 -7.726 11.449 1.00 0.00 C ATOM 1224 C ASN A 79 5.497 -7.810 9.990 1.00 0.00 C ATOM 1225 O ASN A 79 6.066 -7.235 9.106 1.00 0.00 O ATOM 1226 CB ASN A 79 6.067 -6.205 11.659 1.00 0.00 C ATOM 1227 CG ASN A 79 5.880 -5.778 13.078 1.00 0.00 C ATOM 1228 OD1 ASN A 79 6.647 -4.998 13.619 1.00 0.00 O ATOM 1229 ND2 ASN A 79 4.868 -6.248 13.768 1.00 0.00 N ATOM 0 H ASN A 79 7.975 -8.114 10.848 1.00 0.00 H new ATOM 0 HA ASN A 79 5.386 -8.330 12.102 1.00 0.00 H new ATOM 0 HB2 ASN A 79 7.027 -5.832 11.302 1.00 0.00 H new ATOM 0 HB3 ASN A 79 5.296 -5.738 11.046 1.00 0.00 H new ATOM 0 HD21 ASN A 79 4.734 -5.960 14.737 1.00 0.00 H new ATOM 0 HD22 ASN A 79 4.215 -6.901 13.335 1.00 0.00 H new ATOM 1236 N ALA A 80 4.375 -8.367 9.708 1.00 0.00 N ATOM 1237 CA ALA A 80 3.831 -8.416 8.304 1.00 0.00 C ATOM 1238 C ALA A 80 3.513 -6.967 7.996 1.00 0.00 C ATOM 1239 O ALA A 80 2.824 -6.346 8.772 1.00 0.00 O ATOM 1240 CB ALA A 80 2.544 -9.211 8.217 1.00 0.00 C ATOM 0 H ALA A 80 3.775 -8.812 10.403 1.00 0.00 H new ATOM 0 HA ALA A 80 4.540 -8.887 7.623 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.190 -9.218 7.186 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.726 -10.234 8.546 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.789 -8.753 8.857 1.00 0.00 H new ATOM 1246 N MET A 81 4.061 -6.519 6.920 1.00 0.00 N ATOM 1247 CA MET A 81 3.834 -5.058 6.662 1.00 0.00 C ATOM 1248 C MET A 81 2.363 -4.682 6.709 1.00 0.00 C ATOM 1249 O MET A 81 1.459 -5.492 6.556 1.00 0.00 O ATOM 1250 CB MET A 81 4.539 -4.722 5.370 1.00 0.00 C ATOM 1251 CG MET A 81 3.529 -4.179 4.359 1.00 0.00 C ATOM 1252 SD MET A 81 4.238 -4.075 2.682 1.00 0.00 S ATOM 1253 CE MET A 81 2.711 -4.559 1.811 1.00 0.00 C ATOM 0 H MET A 81 4.618 -7.040 6.243 1.00 0.00 H new ATOM 0 HA MET A 81 4.260 -4.445 7.457 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.320 -3.983 5.552 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.028 -5.610 4.969 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.649 -4.823 4.342 1.00 0.00 H new ATOM 0 HG3 MET A 81 3.195 -3.191 4.674 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.811 -4.333 0.749 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.541 -5.628 1.941 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.867 -4.005 2.222 1.00 0.00 H new ATOM 1263 N LYS A 82 2.064 -3.410 6.938 1.00 0.00 N ATOM 1264 CA LYS A 82 0.677 -2.925 7.044 1.00 0.00 C ATOM 1265 C LYS A 82 0.557 -1.692 6.093 1.00 0.00 C ATOM 1266 O LYS A 82 1.262 -0.738 6.332 1.00 0.00 O ATOM 1267 CB LYS A 82 0.304 -2.608 8.499 1.00 0.00 C ATOM 1268 CG LYS A 82 -0.542 -3.759 9.102 1.00 0.00 C ATOM 1269 CD LYS A 82 -1.964 -3.295 9.330 1.00 0.00 C ATOM 1270 CE LYS A 82 -2.680 -4.348 10.196 1.00 0.00 C ATOM 1271 NZ LYS A 82 -4.125 -4.000 10.366 1.00 0.00 N ATOM 0 H LYS A 82 2.767 -2.681 7.056 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.036 -3.690 6.738 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.208 -2.464 9.090 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.257 -1.674 8.542 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.535 -4.617 8.430 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.103 -4.088 10.044 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.972 -2.325 9.827 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.481 -3.170 8.378 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.590 -5.330 9.732 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.199 -4.411 11.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.589 -4.722 10.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -4.207 -3.073 10.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.585 -3.963 9.434 1.00 0.00 H new ATOM 1285 N ILE A 83 -0.302 -1.923 5.147 1.00 0.00 N ATOM 1286 CA ILE A 83 -0.690 -1.006 4.030 1.00 0.00 C ATOM 1287 C ILE A 83 -2.238 -0.987 4.045 1.00 0.00 C ATOM 1288 O ILE A 83 -2.864 -1.999 3.871 1.00 0.00 O ATOM 1289 CB ILE A 83 -0.111 -1.609 2.736 1.00 0.00 C ATOM 1290 CG1 ILE A 83 1.373 -1.176 2.657 1.00 0.00 C ATOM 1291 CG2 ILE A 83 -0.866 -1.196 1.491 1.00 0.00 C ATOM 1292 CD1 ILE A 83 1.934 -1.592 1.301 1.00 0.00 C ATOM 0 H ILE A 83 -0.805 -2.809 5.099 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.315 0.014 4.116 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.208 -2.694 2.775 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.459 -0.097 2.786 1.00 0.00 H new ATOM 0 HG13 ILE A 83 1.945 -1.640 3.461 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.405 -1.656 0.617 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.903 -1.523 1.569 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.834 -0.111 1.389 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.980 -1.292 1.232 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.859 -2.674 1.192 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.365 -1.107 0.508 1.00 0.00 H new ATOM 1304 N SER A 84 -2.715 0.177 4.311 1.00 0.00 N ATOM 1305 CA SER A 84 -4.161 0.399 4.487 1.00 0.00 C ATOM 1306 C SER A 84 -4.681 1.427 3.482 1.00 0.00 C ATOM 1307 O SER A 84 -4.397 2.563 3.660 1.00 0.00 O ATOM 1308 CB SER A 84 -4.526 0.924 5.894 1.00 0.00 C ATOM 1309 OG SER A 84 -3.811 0.161 6.834 1.00 0.00 O ATOM 0 H SER A 84 -2.144 1.015 4.418 1.00 0.00 H new ATOM 0 HA SER A 84 -4.620 -0.578 4.336 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.272 1.980 5.986 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.599 0.838 6.068 1.00 0.00 H new ATOM 0 HG SER A 84 -4.149 0.350 7.734 1.00 0.00 H new ATOM 1315 N PHE A 85 -5.375 0.952 2.527 1.00 0.00 N ATOM 1316 CA PHE A 85 -6.023 1.831 1.487 1.00 0.00 C ATOM 1317 C PHE A 85 -6.594 3.082 2.119 1.00 0.00 C ATOM 1318 O PHE A 85 -6.899 3.086 3.306 1.00 0.00 O ATOM 1319 CB PHE A 85 -7.250 1.077 0.932 1.00 0.00 C ATOM 1320 CG PHE A 85 -6.910 -0.164 0.190 1.00 0.00 C ATOM 1321 CD1 PHE A 85 -6.834 -1.376 0.913 1.00 0.00 C ATOM 1322 CD2 PHE A 85 -6.673 -0.169 -1.185 1.00 0.00 C ATOM 1323 CE1 PHE A 85 -6.522 -2.580 0.273 1.00 0.00 C ATOM 1324 CE2 PHE A 85 -6.364 -1.358 -1.829 1.00 0.00 C ATOM 1325 CZ PHE A 85 -6.291 -2.541 -1.102 1.00 0.00 C ATOM 0 H PHE A 85 -5.544 -0.045 2.393 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.275 2.078 0.734 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -7.913 0.824 1.759 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -7.805 1.743 0.271 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.020 -1.372 1.977 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -6.730 0.751 -1.747 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -6.462 -3.507 0.824 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.180 -1.365 -2.893 1.00 0.00 H new ATOM 0 HZ PHE A 85 -6.048 -3.458 -1.618 1.00 0.00 H new ATOM 1335 N ALA A 86 -6.807 4.160 1.449 1.00 0.00 N ATOM 1336 CA ALA A 86 -7.381 5.361 2.139 1.00 0.00 C ATOM 1337 C ALA A 86 -8.874 5.134 2.250 1.00 0.00 C ATOM 1338 O ALA A 86 -9.617 6.040 1.883 1.00 0.00 O ATOM 1339 CB ALA A 86 -7.064 6.556 1.223 1.00 0.00 C ATOM 0 H ALA A 86 -6.614 4.278 0.454 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.978 5.538 3.136 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.457 7.470 1.668 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.984 6.646 1.103 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.526 6.400 0.248 1.00 0.00 H new