USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 560 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 31 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 69 MET CE :methyl 168:sc= -3.37! (180deg=-3.51!) USER MOD Set 2.1: A 23 ASN :FLIP amide:sc= 0 X(o=0.42,f=0.69) USER MOD Set 2.2: A 24 ASN : amide:sc= 0.694 X(o=0.69,f=0.42) USER MOD Single : A 17 GLN : amide:sc= 0.0427 X(o=0.043,f=-0.2) USER MOD Single : A 18 ASN : amide:sc= -0.409 K(o=-0.41,f=-1.6) USER MOD Single : A 34 SER OG : rot 97:sc= 0.139 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.773 K(o=-0.77,f=-1.6!) USER MOD Single : A 44 THR OG1 : rot -68:sc= 0.726 USER MOD Single : A 48 THR OG1 : rot 180:sc= -1.35 USER MOD Single : A 49 SER OG : rot 90:sc= 0.99 USER MOD Single : A 50 LYS NZ :NH3+ -171:sc= -0.0174 (180deg=-0.137) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.247 K(o=-0.25,f=-0.9) USER MOD Single : A 67 GLN : amide:sc= -1.34 K(o=-1.3,f=-6.3!) USER MOD Single : B 81 GLN :FLIP amide:sc=-0.00443 F(o=-1,f=-0.0044) USER MOD Single : B 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 85 GLN : amide:sc= 0.843 K(o=0.84,f=-3.9!) USER MOD Single : B 86 HIS : no HD1:sc= -1.2! C(o=-1.2!,f=-3.1!) USER MOD Single : B 90 HIS : no HD1:sc= -0.421 X(o=-0.42,f=-0.026) USER MOD Single : B 93 GLN : amide:sc= -0.0919 X(o=-0.092,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 168 N VAL A 12 -0.802 10.577 -3.390 1.00 0.00 N ATOM 169 CA VAL A 12 -0.753 10.357 -1.927 1.00 0.00 C ATOM 170 C VAL A 12 0.668 10.440 -1.329 1.00 0.00 C ATOM 171 O VAL A 12 0.962 11.349 -0.553 1.00 0.00 O ATOM 172 CB VAL A 12 -1.498 9.064 -1.463 1.00 0.00 C ATOM 173 CG1 VAL A 12 -0.999 7.802 -2.147 1.00 0.00 C ATOM 174 CG2 VAL A 12 -1.404 8.921 0.047 1.00 0.00 C ATOM 0 HA VAL A 12 -1.307 11.201 -1.516 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.540 9.181 -1.760 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.559 6.943 -1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.140 7.892 -3.224 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.060 7.665 -1.930 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.926 8.017 0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.357 8.856 0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.862 9.788 0.524 1.00 0.00 H new ATOM 184 N GLY A 13 1.539 9.519 -1.697 1.00 0.00 N ATOM 185 CA GLY A 13 2.890 9.500 -1.185 1.00 0.00 C ATOM 186 C GLY A 13 3.675 8.378 -1.820 1.00 0.00 C ATOM 187 O GLY A 13 4.532 7.767 -1.187 1.00 0.00 O ATOM 0 H GLY A 13 1.329 8.769 -2.355 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.377 10.454 -1.388 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.874 9.375 -0.102 1.00 0.00 H new ATOM 191 N TRP A 14 3.361 8.109 -3.079 1.00 0.00 N ATOM 192 CA TRP A 14 3.936 6.985 -3.797 1.00 0.00 C ATOM 193 C TRP A 14 4.787 7.461 -4.970 1.00 0.00 C ATOM 194 O TRP A 14 4.370 8.326 -5.746 1.00 0.00 O ATOM 195 CB TRP A 14 2.810 6.070 -4.301 1.00 0.00 C ATOM 196 CG TRP A 14 3.280 4.928 -5.149 1.00 0.00 C ATOM 197 CD1 TRP A 14 3.761 3.730 -4.712 1.00 0.00 C ATOM 198 CD2 TRP A 14 3.304 4.875 -6.579 1.00 0.00 C ATOM 199 NE1 TRP A 14 4.090 2.937 -5.784 1.00 0.00 N ATOM 200 CE2 TRP A 14 3.821 3.619 -6.940 1.00 0.00 C ATOM 201 CE3 TRP A 14 2.945 5.772 -7.589 1.00 0.00 C ATOM 202 CZ2 TRP A 14 3.981 3.232 -8.267 1.00 0.00 C ATOM 203 CZ3 TRP A 14 3.107 5.386 -8.908 1.00 0.00 C ATOM 204 CH2 TRP A 14 3.623 4.128 -9.235 1.00 0.00 C ATOM 0 H TRP A 14 2.703 8.662 -3.628 1.00 0.00 H new ATOM 0 HA TRP A 14 4.582 6.431 -3.116 1.00 0.00 H new ATOM 0 HB2 TRP A 14 2.269 5.672 -3.443 1.00 0.00 H new ATOM 0 HB3 TRP A 14 2.102 6.667 -4.875 1.00 0.00 H new ATOM 0 HD1 TRP A 14 3.868 3.446 -3.675 1.00 0.00 H new ATOM 0 HE1 TRP A 14 4.473 1.993 -5.728 1.00 0.00 H new ATOM 0 HE3 TRP A 14 2.549 6.747 -7.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.374 2.259 -8.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 2.830 6.068 -9.698 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.741 3.859 -10.274 1.00 0.00 H new ATOM 215 N ASP A 15 5.979 6.898 -5.079 1.00 0.00 N ATOM 216 CA ASP A 15 6.841 7.127 -6.226 1.00 0.00 C ATOM 217 C ASP A 15 7.158 5.790 -6.886 1.00 0.00 C ATOM 218 O ASP A 15 7.299 4.776 -6.213 1.00 0.00 O ATOM 219 CB ASP A 15 8.134 7.842 -5.819 1.00 0.00 C ATOM 220 CG ASP A 15 7.930 9.313 -5.498 1.00 0.00 C ATOM 221 OD1 ASP A 15 7.420 10.049 -6.366 1.00 0.00 O ATOM 222 OD2 ASP A 15 8.257 9.736 -4.366 1.00 0.00 O ATOM 0 H ASP A 15 6.375 6.272 -4.378 1.00 0.00 H new ATOM 0 HA ASP A 15 6.320 7.773 -6.933 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.559 7.343 -4.948 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.861 7.750 -6.626 1.00 0.00 H new ATOM 227 N PRO A 16 7.268 5.788 -8.225 1.00 0.00 N ATOM 228 CA PRO A 16 7.304 4.562 -9.048 1.00 0.00 C ATOM 229 C PRO A 16 8.339 3.513 -8.631 1.00 0.00 C ATOM 230 O PRO A 16 8.065 2.316 -8.723 1.00 0.00 O ATOM 231 CB PRO A 16 7.616 5.078 -10.459 1.00 0.00 C ATOM 232 CG PRO A 16 8.081 6.485 -10.276 1.00 0.00 C ATOM 233 CD PRO A 16 7.377 6.994 -9.059 1.00 0.00 C ATOM 0 HA PRO A 16 6.358 4.029 -8.948 1.00 0.00 H new ATOM 0 HB2 PRO A 16 8.384 4.470 -10.938 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.733 5.036 -11.096 1.00 0.00 H new ATOM 0 HG2 PRO A 16 9.163 6.525 -10.147 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.841 7.092 -11.149 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.944 7.781 -8.562 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.399 7.410 -9.300 1.00 0.00 H new ATOM 241 N GLN A 17 9.516 3.937 -8.187 1.00 0.00 N ATOM 242 CA GLN A 17 10.592 2.994 -7.896 1.00 0.00 C ATOM 243 C GLN A 17 10.688 2.661 -6.406 1.00 0.00 C ATOM 244 O GLN A 17 10.849 1.498 -6.039 1.00 0.00 O ATOM 245 CB GLN A 17 11.927 3.535 -8.401 1.00 0.00 C ATOM 246 CG GLN A 17 13.110 2.644 -8.067 1.00 0.00 C ATOM 247 CD GLN A 17 13.046 1.284 -8.736 1.00 0.00 C ATOM 248 OE1 GLN A 17 13.542 1.099 -9.846 1.00 0.00 O ATOM 249 NE2 GLN A 17 12.433 0.321 -8.064 1.00 0.00 N ATOM 0 H GLN A 17 9.750 4.916 -8.022 1.00 0.00 H new ATOM 0 HA GLN A 17 10.355 2.069 -8.421 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.872 3.662 -9.482 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.095 4.523 -7.972 1.00 0.00 H new ATOM 0 HG2 GLN A 17 14.030 3.146 -8.367 1.00 0.00 H new ATOM 0 HG3 GLN A 17 13.159 2.508 -6.987 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.034 0.514 -7.145 1.00 0.00 H new ATOM 0 HE22 GLN A 17 12.360 -0.614 -8.465 1.00 0.00 H new ATOM 258 N ASN A 18 10.597 3.669 -5.549 1.00 0.00 N ATOM 259 CA ASN A 18 10.798 3.449 -4.115 1.00 0.00 C ATOM 260 C ASN A 18 9.480 3.181 -3.394 1.00 0.00 C ATOM 261 O ASN A 18 9.462 2.976 -2.182 1.00 0.00 O ATOM 262 CB ASN A 18 11.519 4.636 -3.468 1.00 0.00 C ATOM 263 CG ASN A 18 10.706 5.913 -3.508 1.00 0.00 C ATOM 264 OD1 ASN A 18 10.806 6.693 -4.452 1.00 0.00 O ATOM 265 ND2 ASN A 18 9.899 6.137 -2.483 1.00 0.00 N ATOM 0 H ASN A 18 10.389 4.633 -5.811 1.00 0.00 H new ATOM 0 HA ASN A 18 11.425 2.563 -4.015 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.752 4.392 -2.432 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.468 4.800 -3.978 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.330 6.983 -2.457 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.846 5.463 -1.719 1.00 0.00 H new ATOM 272 N GLY A 19 8.385 3.197 -4.135 1.00 0.00 N ATOM 273 CA GLY A 19 7.100 2.867 -3.561 1.00 0.00 C ATOM 274 C GLY A 19 6.531 3.978 -2.702 1.00 0.00 C ATOM 275 O GLY A 19 6.594 5.153 -3.065 1.00 0.00 O ATOM 0 H GLY A 19 8.363 3.433 -5.127 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.398 2.640 -4.363 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.199 1.964 -2.959 1.00 0.00 H new ATOM 279 N PHE A 20 5.982 3.600 -1.560 1.00 0.00 N ATOM 280 CA PHE A 20 5.363 4.549 -0.652 1.00 0.00 C ATOM 281 C PHE A 20 6.404 5.172 0.262 1.00 0.00 C ATOM 282 O PHE A 20 7.270 4.481 0.803 1.00 0.00 O ATOM 283 CB PHE A 20 4.284 3.872 0.202 1.00 0.00 C ATOM 284 CG PHE A 20 3.005 3.573 -0.532 1.00 0.00 C ATOM 285 CD1 PHE A 20 2.026 4.547 -0.667 1.00 0.00 C ATOM 286 CD2 PHE A 20 2.777 2.319 -1.077 1.00 0.00 C ATOM 287 CE1 PHE A 20 0.846 4.278 -1.334 1.00 0.00 C ATOM 288 CE2 PHE A 20 1.599 2.042 -1.744 1.00 0.00 C ATOM 289 CZ PHE A 20 0.632 3.022 -1.874 1.00 0.00 C ATOM 0 H PHE A 20 5.953 2.633 -1.238 1.00 0.00 H new ATOM 0 HA PHE A 20 4.899 5.327 -1.258 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.686 2.941 0.601 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.058 4.513 1.054 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.188 5.528 -0.245 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.529 1.550 -0.979 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.093 5.046 -1.434 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.434 1.061 -2.164 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.289 2.807 -2.396 1.00 0.00 H new ATOM 299 N ASP A 21 6.318 6.479 0.427 1.00 0.00 N ATOM 300 CA ASP A 21 7.182 7.188 1.352 1.00 0.00 C ATOM 301 C ASP A 21 6.736 6.884 2.777 1.00 0.00 C ATOM 302 O ASP A 21 5.785 7.480 3.279 1.00 0.00 O ATOM 303 CB ASP A 21 7.131 8.697 1.087 1.00 0.00 C ATOM 304 CG ASP A 21 8.174 9.463 1.875 1.00 0.00 C ATOM 305 OD1 ASP A 21 8.003 9.616 3.102 1.00 0.00 O ATOM 306 OD2 ASP A 21 9.174 9.904 1.278 1.00 0.00 O ATOM 0 H ASP A 21 5.655 7.073 -0.070 1.00 0.00 H new ATOM 0 HA ASP A 21 8.211 6.857 1.213 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.278 8.880 0.023 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.140 9.073 1.341 1.00 0.00 H new ATOM 311 N VAL A 22 7.414 5.929 3.407 1.00 0.00 N ATOM 312 CA VAL A 22 7.048 5.460 4.742 1.00 0.00 C ATOM 313 C VAL A 22 7.104 6.592 5.774 1.00 0.00 C ATOM 314 O VAL A 22 6.394 6.567 6.784 1.00 0.00 O ATOM 315 CB VAL A 22 7.949 4.270 5.172 1.00 0.00 C ATOM 316 CG1 VAL A 22 9.421 4.657 5.178 1.00 0.00 C ATOM 317 CG2 VAL A 22 7.526 3.715 6.528 1.00 0.00 C ATOM 0 H VAL A 22 8.228 5.460 3.010 1.00 0.00 H new ATOM 0 HA VAL A 22 6.016 5.111 4.698 1.00 0.00 H new ATOM 0 HB VAL A 22 7.817 3.481 4.431 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.021 3.800 5.484 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.719 4.970 4.177 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.578 5.478 5.877 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.176 2.884 6.800 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.604 4.498 7.282 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.495 3.366 6.473 1.00 0.00 H new ATOM 327 N ASN A 23 7.917 7.600 5.496 1.00 0.00 N ATOM 328 CA ASN A 23 8.038 8.758 6.373 1.00 0.00 C ATOM 329 C ASN A 23 6.756 9.589 6.339 1.00 0.00 C ATOM 330 O ASN A 23 6.274 10.053 7.371 1.00 0.00 O ATOM 331 CB ASN A 23 9.237 9.611 5.944 1.00 0.00 C ATOM 332 CG ASN A 23 9.402 10.877 6.766 1.00 0.00 C ATOM 333 OD1 ASN A 23 8.814 11.969 6.300 1.00 0.00 O flip ATOM 334 ND2 ASN A 23 10.073 10.879 7.798 1.00 0.00 N flip ATOM 0 H ASN A 23 8.507 7.640 4.665 1.00 0.00 H new ATOM 0 HA ASN A 23 8.196 8.412 7.395 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.145 9.014 6.024 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.124 9.881 4.894 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.510 10.017 8.124 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.192 11.743 8.327 1.00 0.00 H new ATOM 341 N ASN A 24 6.200 9.748 5.145 1.00 0.00 N ATOM 342 CA ASN A 24 5.014 10.577 4.939 1.00 0.00 C ATOM 343 C ASN A 24 3.741 9.739 4.883 1.00 0.00 C ATOM 344 O ASN A 24 2.710 10.202 4.388 1.00 0.00 O ATOM 345 CB ASN A 24 5.146 11.380 3.642 1.00 0.00 C ATOM 346 CG ASN A 24 6.128 12.527 3.754 1.00 0.00 C ATOM 347 OD1 ASN A 24 5.742 13.661 4.043 1.00 0.00 O ATOM 348 ND2 ASN A 24 7.402 12.245 3.533 1.00 0.00 N ATOM 0 H ASN A 24 6.554 9.310 4.295 1.00 0.00 H new ATOM 0 HA ASN A 24 4.942 11.255 5.789 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.463 10.714 2.840 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.168 11.772 3.363 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.106 12.980 3.600 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.680 11.293 3.296 1.00 0.00 H new ATOM 355 N LEU A 25 3.806 8.514 5.386 1.00 0.00 N ATOM 356 CA LEU A 25 2.646 7.634 5.386 1.00 0.00 C ATOM 357 C LEU A 25 1.546 8.174 6.287 1.00 0.00 C ATOM 358 O LEU A 25 1.788 8.554 7.436 1.00 0.00 O ATOM 359 CB LEU A 25 3.023 6.220 5.835 1.00 0.00 C ATOM 360 CG LEU A 25 3.639 5.326 4.761 1.00 0.00 C ATOM 361 CD1 LEU A 25 4.077 4.007 5.370 1.00 0.00 C ATOM 362 CD2 LEU A 25 2.649 5.078 3.635 1.00 0.00 C ATOM 0 H LEU A 25 4.646 8.108 5.798 1.00 0.00 H new ATOM 0 HA LEU A 25 2.276 7.593 4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.726 6.297 6.664 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.129 5.730 6.220 1.00 0.00 H new ATOM 0 HG LEU A 25 4.510 5.834 4.348 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.515 3.377 4.596 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.817 4.193 6.148 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.214 3.502 5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.108 4.439 2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.760 4.588 4.033 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.367 6.029 3.182 1.00 0.00 H new ATOM 374 N ASP A 26 0.345 8.235 5.740 1.00 0.00 N ATOM 375 CA ASP A 26 -0.837 8.586 6.507 1.00 0.00 C ATOM 376 C ASP A 26 -1.136 7.476 7.510 1.00 0.00 C ATOM 377 O ASP A 26 -1.037 6.292 7.186 1.00 0.00 O ATOM 378 CB ASP A 26 -2.027 8.778 5.561 1.00 0.00 C ATOM 379 CG ASP A 26 -3.258 9.293 6.273 1.00 0.00 C ATOM 380 OD1 ASP A 26 -3.923 8.494 6.971 1.00 0.00 O ATOM 381 OD2 ASP A 26 -3.570 10.492 6.139 1.00 0.00 O ATOM 0 H ASP A 26 0.162 8.043 4.755 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.662 9.517 7.046 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.750 9.476 4.771 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.261 7.828 5.080 1.00 0.00 H new ATOM 386 N PRO A 27 -1.472 7.862 8.756 1.00 0.00 N ATOM 387 CA PRO A 27 -1.782 6.929 9.850 1.00 0.00 C ATOM 388 C PRO A 27 -2.784 5.839 9.467 1.00 0.00 C ATOM 389 O PRO A 27 -2.726 4.727 9.998 1.00 0.00 O ATOM 390 CB PRO A 27 -2.382 7.834 10.924 1.00 0.00 C ATOM 391 CG PRO A 27 -1.751 9.160 10.689 1.00 0.00 C ATOM 392 CD PRO A 27 -1.556 9.267 9.201 1.00 0.00 C ATOM 0 HA PRO A 27 -0.891 6.382 10.160 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.467 7.890 10.835 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.162 7.462 11.925 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.386 9.965 11.058 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.799 9.238 11.214 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.386 9.789 8.725 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.649 9.820 8.955 1.00 0.00 H new ATOM 400 N ASP A 28 -3.701 6.149 8.552 1.00 0.00 N ATOM 401 CA ASP A 28 -4.687 5.169 8.105 1.00 0.00 C ATOM 402 C ASP A 28 -4.054 4.183 7.129 1.00 0.00 C ATOM 403 O ASP A 28 -4.305 2.979 7.205 1.00 0.00 O ATOM 404 CB ASP A 28 -5.905 5.856 7.465 1.00 0.00 C ATOM 405 CG ASP A 28 -6.870 6.427 8.493 1.00 0.00 C ATOM 406 OD1 ASP A 28 -6.567 7.487 9.084 1.00 0.00 O ATOM 407 OD2 ASP A 28 -7.941 5.818 8.723 1.00 0.00 O ATOM 0 H ASP A 28 -3.781 7.064 8.109 1.00 0.00 H new ATOM 0 HA ASP A 28 -5.035 4.619 8.980 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.562 6.658 6.811 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.433 5.138 6.838 1.00 0.00 H new ATOM 412 N LEU A 29 -3.218 4.687 6.225 1.00 0.00 N ATOM 413 CA LEU A 29 -2.486 3.823 5.305 1.00 0.00 C ATOM 414 C LEU A 29 -1.523 2.933 6.076 1.00 0.00 C ATOM 415 O LEU A 29 -1.439 1.730 5.832 1.00 0.00 O ATOM 416 CB LEU A 29 -1.704 4.651 4.290 1.00 0.00 C ATOM 417 CG LEU A 29 -2.545 5.518 3.361 1.00 0.00 C ATOM 418 CD1 LEU A 29 -1.635 6.336 2.470 1.00 0.00 C ATOM 419 CD2 LEU A 29 -3.485 4.663 2.525 1.00 0.00 C ATOM 0 H LEU A 29 -3.032 5.683 6.110 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.210 3.205 4.774 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.010 5.295 4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.103 3.975 3.682 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.155 6.191 3.963 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.237 6.956 1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.001 6.974 3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.011 5.668 1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.075 5.304 1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.903 3.966 1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.152 4.105 3.183 1.00 0.00 H new ATOM 431 N ARG A 30 -0.804 3.545 7.012 1.00 0.00 N ATOM 432 CA ARG A 30 0.136 2.835 7.871 1.00 0.00 C ATOM 433 C ARG A 30 -0.561 1.677 8.579 1.00 0.00 C ATOM 434 O ARG A 30 -0.021 0.576 8.668 1.00 0.00 O ATOM 435 CB ARG A 30 0.730 3.808 8.893 1.00 0.00 C ATOM 436 CG ARG A 30 1.760 3.188 9.825 1.00 0.00 C ATOM 437 CD ARG A 30 2.947 2.624 9.061 1.00 0.00 C ATOM 438 NE ARG A 30 4.131 2.511 9.910 1.00 0.00 N ATOM 439 CZ ARG A 30 4.732 1.362 10.226 1.00 0.00 C ATOM 440 NH1 ARG A 30 4.229 0.201 9.820 1.00 0.00 N ATOM 441 NH2 ARG A 30 5.821 1.379 10.984 1.00 0.00 N ATOM 0 H ARG A 30 -0.857 4.547 7.196 1.00 0.00 H new ATOM 0 HA ARG A 30 0.940 2.425 7.260 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.193 4.638 8.360 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.079 4.226 9.492 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.108 3.940 10.533 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.292 2.394 10.407 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.690 1.643 8.662 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.170 3.266 8.209 1.00 0.00 H new ATOM 0 HE ARG A 30 4.526 3.372 10.288 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.376 0.182 9.261 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.696 -0.671 10.067 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.194 2.266 11.321 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.285 0.505 11.229 1.00 0.00 H new ATOM 455 N SER A 31 -1.770 1.940 9.058 1.00 0.00 N ATOM 456 CA SER A 31 -2.578 0.924 9.713 1.00 0.00 C ATOM 457 C SER A 31 -2.890 -0.209 8.736 1.00 0.00 C ATOM 458 O SER A 31 -2.610 -1.377 9.011 1.00 0.00 O ATOM 459 CB SER A 31 -3.883 1.546 10.226 1.00 0.00 C ATOM 460 OG SER A 31 -4.529 0.700 11.166 1.00 0.00 O ATOM 0 H SER A 31 -2.214 2.857 9.003 1.00 0.00 H new ATOM 0 HA SER A 31 -2.020 0.518 10.557 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.671 2.510 10.688 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.551 1.736 9.386 1.00 0.00 H new ATOM 0 HG SER A 31 -5.356 1.126 11.475 1.00 0.00 H new ATOM 466 N LEU A 32 -3.444 0.153 7.579 1.00 0.00 N ATOM 467 CA LEU A 32 -3.896 -0.821 6.591 1.00 0.00 C ATOM 468 C LEU A 32 -2.786 -1.747 6.149 1.00 0.00 C ATOM 469 O LEU A 32 -2.896 -2.964 6.258 1.00 0.00 O ATOM 470 CB LEU A 32 -4.451 -0.128 5.347 1.00 0.00 C ATOM 471 CG LEU A 32 -4.667 -1.064 4.156 1.00 0.00 C ATOM 472 CD1 LEU A 32 -5.566 -2.218 4.538 1.00 0.00 C ATOM 473 CD2 LEU A 32 -5.245 -0.325 2.973 1.00 0.00 C ATOM 0 H LEU A 32 -3.591 1.124 7.303 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.676 -1.403 7.082 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.400 0.345 5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.767 0.667 5.051 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.692 -1.458 3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.706 -2.871 3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.108 -2.782 5.350 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.533 -1.834 4.863 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.386 -1.019 2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.205 0.110 3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.561 0.468 2.670 1.00 0.00 H new ATOM 485 N PHE A 33 -1.730 -1.156 5.640 1.00 0.00 N ATOM 486 CA PHE A 33 -0.688 -1.908 4.967 1.00 0.00 C ATOM 487 C PHE A 33 -0.091 -2.954 5.899 1.00 0.00 C ATOM 488 O PHE A 33 0.116 -4.099 5.506 1.00 0.00 O ATOM 489 CB PHE A 33 0.389 -0.959 4.442 1.00 0.00 C ATOM 490 CG PHE A 33 -0.128 0.085 3.478 1.00 0.00 C ATOM 491 CD1 PHE A 33 -1.298 -0.116 2.742 1.00 0.00 C ATOM 492 CD2 PHE A 33 0.567 1.273 3.300 1.00 0.00 C ATOM 493 CE1 PHE A 33 -1.745 0.845 1.860 1.00 0.00 C ATOM 494 CE2 PHE A 33 0.123 2.229 2.412 1.00 0.00 C ATOM 495 CZ PHE A 33 -1.033 2.015 1.691 1.00 0.00 C ATOM 0 H PHE A 33 -1.566 -0.150 5.678 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.127 -2.432 4.118 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.860 -0.457 5.287 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.164 -1.544 3.947 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.857 -1.032 2.865 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.469 1.451 3.866 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.654 0.682 1.300 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.680 3.145 2.281 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.381 2.763 0.994 1.00 0.00 H new ATOM 505 N SER A 34 0.129 -2.567 7.145 1.00 0.00 N ATOM 506 CA SER A 34 0.664 -3.474 8.147 1.00 0.00 C ATOM 507 C SER A 34 -0.343 -4.580 8.499 1.00 0.00 C ATOM 508 O SER A 34 0.044 -5.693 8.854 1.00 0.00 O ATOM 509 CB SER A 34 1.060 -2.680 9.379 1.00 0.00 C ATOM 510 OG SER A 34 2.065 -1.729 9.052 1.00 0.00 O ATOM 0 H SER A 34 -0.056 -1.624 7.488 1.00 0.00 H new ATOM 0 HA SER A 34 1.546 -3.968 7.741 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.187 -2.171 9.788 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.426 -3.355 10.153 1.00 0.00 H new ATOM 0 HG SER A 34 1.649 -0.857 8.888 1.00 0.00 H new ATOM 516 N ARG A 35 -1.633 -4.270 8.388 1.00 0.00 N ATOM 517 CA ARG A 35 -2.687 -5.267 8.573 1.00 0.00 C ATOM 518 C ARG A 35 -2.712 -6.242 7.399 1.00 0.00 C ATOM 519 O ARG A 35 -3.095 -7.403 7.544 1.00 0.00 O ATOM 520 CB ARG A 35 -4.050 -4.578 8.708 1.00 0.00 C ATOM 521 CG ARG A 35 -4.250 -3.919 10.054 1.00 0.00 C ATOM 522 CD ARG A 35 -5.201 -2.731 9.982 1.00 0.00 C ATOM 523 NE ARG A 35 -6.603 -3.112 9.787 1.00 0.00 N ATOM 524 CZ ARG A 35 -7.579 -2.761 10.626 1.00 0.00 C ATOM 525 NH1 ARG A 35 -7.286 -2.130 11.757 1.00 0.00 N ATOM 526 NH2 ARG A 35 -8.842 -3.057 10.346 1.00 0.00 N ATOM 0 H ARG A 35 -1.975 -3.334 8.170 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.478 -5.824 9.486 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.150 -3.827 7.924 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.839 -5.313 8.549 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.641 -4.652 10.760 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.286 -3.587 10.440 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.115 -2.152 10.901 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.893 -2.079 9.164 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.844 -3.673 8.970 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.315 -1.914 11.984 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.032 -1.861 12.399 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.070 -3.555 9.486 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.584 -2.786 10.991 1.00 0.00 H new ATOM 540 N ALA A 36 -2.279 -5.758 6.244 1.00 0.00 N ATOM 541 CA ALA A 36 -2.305 -6.536 5.011 1.00 0.00 C ATOM 542 C ALA A 36 -1.026 -7.358 4.836 1.00 0.00 C ATOM 543 O ALA A 36 -0.858 -8.055 3.837 1.00 0.00 O ATOM 544 CB ALA A 36 -2.510 -5.597 3.827 1.00 0.00 C ATOM 0 H ALA A 36 -1.900 -4.817 6.134 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.134 -7.242 5.063 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.530 -6.175 2.903 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.455 -5.066 3.943 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.692 -4.878 3.787 1.00 0.00 H new ATOM 550 N GLY A 37 -0.129 -7.268 5.814 1.00 0.00 N ATOM 551 CA GLY A 37 1.133 -7.991 5.750 1.00 0.00 C ATOM 552 C GLY A 37 2.242 -7.139 5.173 1.00 0.00 C ATOM 553 O GLY A 37 3.424 -7.410 5.386 1.00 0.00 O ATOM 0 H GLY A 37 -0.253 -6.704 6.655 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.413 -8.323 6.750 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.008 -8.886 5.141 1.00 0.00 H new ATOM 557 N ILE A 38 1.845 -6.102 4.445 1.00 0.00 N ATOM 558 CA ILE A 38 2.778 -5.185 3.813 1.00 0.00 C ATOM 559 C ILE A 38 3.618 -4.464 4.866 1.00 0.00 C ATOM 560 O ILE A 38 3.136 -3.572 5.563 1.00 0.00 O ATOM 561 CB ILE A 38 2.020 -4.140 2.972 1.00 0.00 C ATOM 562 CG1 ILE A 38 0.957 -4.822 2.107 1.00 0.00 C ATOM 563 CG2 ILE A 38 2.994 -3.365 2.102 1.00 0.00 C ATOM 564 CD1 ILE A 38 -0.089 -3.868 1.579 1.00 0.00 C ATOM 0 H ILE A 38 0.865 -5.875 4.278 1.00 0.00 H new ATOM 0 HA ILE A 38 3.433 -5.767 3.165 1.00 0.00 H new ATOM 0 HB ILE A 38 1.521 -3.443 3.645 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.445 -5.316 1.267 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.467 -5.600 2.693 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.448 -2.629 1.512 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.721 -2.856 2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.513 -4.053 1.435 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.811 -4.418 0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.603 -3.393 2.415 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.391 -3.105 0.966 1.00 0.00 H new ATOM 576 N SER A 39 4.871 -4.864 4.983 1.00 0.00 N ATOM 577 CA SER A 39 5.763 -4.288 5.975 1.00 0.00 C ATOM 578 C SER A 39 6.587 -3.148 5.373 1.00 0.00 C ATOM 579 O SER A 39 6.383 -2.779 4.212 1.00 0.00 O ATOM 580 CB SER A 39 6.671 -5.378 6.525 1.00 0.00 C ATOM 581 OG SER A 39 5.913 -6.516 6.906 1.00 0.00 O ATOM 0 H SER A 39 5.296 -5.587 4.402 1.00 0.00 H new ATOM 0 HA SER A 39 5.170 -3.870 6.788 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.407 -5.660 5.772 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.224 -4.999 7.384 1.00 0.00 H new ATOM 0 HG SER A 39 6.514 -7.207 7.256 1.00 0.00 H new ATOM 587 N GLU A 40 7.520 -2.608 6.160 1.00 0.00 N ATOM 588 CA GLU A 40 8.354 -1.479 5.740 1.00 0.00 C ATOM 589 C GLU A 40 9.011 -1.741 4.384 1.00 0.00 C ATOM 590 O GLU A 40 8.932 -0.911 3.476 1.00 0.00 O ATOM 591 CB GLU A 40 9.424 -1.217 6.802 1.00 0.00 C ATOM 592 CG GLU A 40 10.425 -0.138 6.430 1.00 0.00 C ATOM 593 CD GLU A 40 11.542 -0.022 7.446 1.00 0.00 C ATOM 594 OE1 GLU A 40 12.486 -0.837 7.390 1.00 0.00 O ATOM 595 OE2 GLU A 40 11.488 0.890 8.295 1.00 0.00 O ATOM 0 H GLU A 40 7.719 -2.940 7.104 1.00 0.00 H new ATOM 0 HA GLU A 40 7.717 -0.601 5.633 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.933 -0.935 7.733 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.963 -2.145 6.994 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.848 -0.359 5.450 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.911 0.819 6.346 1.00 0.00 H new ATOM 602 N ALA A 41 9.650 -2.902 4.258 1.00 0.00 N ATOM 603 CA ALA A 41 10.310 -3.291 3.017 1.00 0.00 C ATOM 604 C ALA A 41 9.342 -3.266 1.837 1.00 0.00 C ATOM 605 O ALA A 41 9.620 -2.659 0.811 1.00 0.00 O ATOM 606 CB ALA A 41 10.928 -4.673 3.162 1.00 0.00 C ATOM 0 H ALA A 41 9.724 -3.592 5.005 1.00 0.00 H new ATOM 0 HA ALA A 41 11.099 -2.566 2.816 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.418 -4.952 2.229 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.662 -4.661 3.968 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.148 -5.398 3.393 1.00 0.00 H new ATOM 612 N GLN A 42 8.192 -3.901 2.003 1.00 0.00 N ATOM 613 CA GLN A 42 7.205 -3.984 0.929 1.00 0.00 C ATOM 614 C GLN A 42 6.707 -2.607 0.507 1.00 0.00 C ATOM 615 O GLN A 42 6.417 -2.381 -0.666 1.00 0.00 O ATOM 616 CB GLN A 42 6.020 -4.850 1.343 1.00 0.00 C ATOM 617 CG GLN A 42 6.281 -6.339 1.222 1.00 0.00 C ATOM 618 CD GLN A 42 5.043 -7.168 1.495 1.00 0.00 C ATOM 619 OE1 GLN A 42 4.783 -7.557 2.630 1.00 0.00 O ATOM 620 NE2 GLN A 42 4.281 -7.456 0.452 1.00 0.00 N ATOM 0 H GLN A 42 7.916 -4.367 2.868 1.00 0.00 H new ATOM 0 HA GLN A 42 7.706 -4.443 0.076 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.756 -4.619 2.375 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.159 -4.590 0.728 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.649 -6.560 0.220 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.067 -6.625 1.921 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.534 -7.112 -0.475 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.441 -8.022 0.575 1.00 0.00 H new ATOM 629 N LEU A 43 6.615 -1.690 1.461 1.00 0.00 N ATOM 630 CA LEU A 43 6.154 -0.337 1.173 1.00 0.00 C ATOM 631 C LEU A 43 7.217 0.466 0.445 1.00 0.00 C ATOM 632 O LEU A 43 6.935 1.524 -0.105 1.00 0.00 O ATOM 633 CB LEU A 43 5.740 0.380 2.456 1.00 0.00 C ATOM 634 CG LEU A 43 4.414 -0.090 3.040 1.00 0.00 C ATOM 635 CD1 LEU A 43 4.067 0.697 4.290 1.00 0.00 C ATOM 636 CD2 LEU A 43 3.315 0.051 2.001 1.00 0.00 C ATOM 0 H LEU A 43 6.853 -1.857 2.439 1.00 0.00 H new ATOM 0 HA LEU A 43 5.284 -0.419 0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.521 0.242 3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.676 1.450 2.256 1.00 0.00 H new ATOM 0 HG LEU A 43 4.507 -1.140 3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.116 0.344 4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.849 0.557 5.037 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.986 1.756 4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.369 -0.287 2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.227 1.096 1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.559 -0.555 1.129 1.00 0.00 H new ATOM 648 N THR A 44 8.433 -0.043 0.440 1.00 0.00 N ATOM 649 CA THR A 44 9.511 0.598 -0.285 1.00 0.00 C ATOM 650 C THR A 44 9.992 -0.299 -1.424 1.00 0.00 C ATOM 651 O THR A 44 11.102 -0.144 -1.939 1.00 0.00 O ATOM 652 CB THR A 44 10.678 0.971 0.653 1.00 0.00 C ATOM 653 OG1 THR A 44 10.908 -0.081 1.601 1.00 0.00 O ATOM 654 CG2 THR A 44 10.384 2.269 1.393 1.00 0.00 C ATOM 0 H THR A 44 8.699 -0.898 0.929 1.00 0.00 H new ATOM 0 HA THR A 44 9.126 1.524 -0.711 1.00 0.00 H new ATOM 0 HB THR A 44 11.571 1.110 0.043 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.152 -0.133 2.222 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.221 2.512 2.048 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.242 3.074 0.672 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.479 2.151 1.989 1.00 0.00 H new ATOM 662 N ASP A 45 9.138 -1.251 -1.801 1.00 0.00 N ATOM 663 CA ASP A 45 9.407 -2.139 -2.927 1.00 0.00 C ATOM 664 C ASP A 45 8.602 -1.712 -4.144 1.00 0.00 C ATOM 665 O ASP A 45 7.457 -1.273 -4.004 1.00 0.00 O ATOM 666 CB ASP A 45 9.083 -3.598 -2.580 1.00 0.00 C ATOM 667 CG ASP A 45 10.328 -4.434 -2.357 1.00 0.00 C ATOM 668 OD1 ASP A 45 11.022 -4.756 -3.345 1.00 0.00 O ATOM 669 OD2 ASP A 45 10.612 -4.779 -1.191 1.00 0.00 O ATOM 0 H ASP A 45 8.247 -1.426 -1.337 1.00 0.00 H new ATOM 0 HA ASP A 45 10.471 -2.068 -3.154 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.466 -3.626 -1.682 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.494 -4.037 -3.385 1.00 0.00 H new ATOM 674 N ALA A 46 9.188 -1.847 -5.324 1.00 0.00 N ATOM 675 CA ALA A 46 8.584 -1.328 -6.549 1.00 0.00 C ATOM 676 C ALA A 46 7.235 -1.980 -6.849 1.00 0.00 C ATOM 677 O ALA A 46 6.185 -1.333 -6.743 1.00 0.00 O ATOM 678 CB ALA A 46 9.528 -1.522 -7.723 1.00 0.00 C ATOM 0 H ALA A 46 10.085 -2.313 -5.463 1.00 0.00 H new ATOM 0 HA ALA A 46 8.406 -0.264 -6.396 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.066 -1.131 -8.630 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.460 -0.990 -7.532 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.736 -2.584 -7.851 1.00 0.00 H new ATOM 684 N GLU A 47 7.272 -3.263 -7.203 1.00 0.00 N ATOM 685 CA GLU A 47 6.084 -3.972 -7.659 1.00 0.00 C ATOM 686 C GLU A 47 5.005 -3.999 -6.583 1.00 0.00 C ATOM 687 O GLU A 47 3.835 -3.742 -6.871 1.00 0.00 O ATOM 688 CB GLU A 47 6.426 -5.402 -8.126 1.00 0.00 C ATOM 689 CG GLU A 47 7.208 -6.242 -7.120 1.00 0.00 C ATOM 690 CD GLU A 47 8.712 -6.077 -7.250 1.00 0.00 C ATOM 691 OE1 GLU A 47 9.226 -4.975 -6.968 1.00 0.00 O ATOM 692 OE2 GLU A 47 9.384 -7.048 -7.657 1.00 0.00 O ATOM 0 H GLU A 47 8.118 -3.833 -7.182 1.00 0.00 H new ATOM 0 HA GLU A 47 5.690 -3.425 -8.515 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.498 -5.921 -8.366 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.003 -5.338 -9.049 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.904 -5.966 -6.110 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.950 -7.293 -7.254 1.00 0.00 H new ATOM 699 N THR A 48 5.397 -4.309 -5.349 1.00 0.00 N ATOM 700 CA THR A 48 4.464 -4.331 -4.231 1.00 0.00 C ATOM 701 C THR A 48 3.668 -3.028 -4.133 1.00 0.00 C ATOM 702 O THR A 48 2.442 -3.033 -4.243 1.00 0.00 O ATOM 703 CB THR A 48 5.200 -4.567 -2.903 1.00 0.00 C ATOM 704 OG1 THR A 48 6.099 -5.678 -3.030 1.00 0.00 O ATOM 705 CG2 THR A 48 4.205 -4.837 -1.787 1.00 0.00 C ATOM 0 H THR A 48 6.357 -4.548 -5.101 1.00 0.00 H new ATOM 0 HA THR A 48 3.773 -5.153 -4.416 1.00 0.00 H new ATOM 0 HB THR A 48 5.770 -3.671 -2.658 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.565 -5.820 -2.180 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.742 -5.002 -0.853 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.540 -3.980 -1.677 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.618 -5.723 -2.029 1.00 0.00 H new ATOM 713 N SER A 49 4.373 -1.917 -3.960 1.00 0.00 N ATOM 714 CA SER A 49 3.734 -0.626 -3.733 1.00 0.00 C ATOM 715 C SER A 49 2.881 -0.198 -4.924 1.00 0.00 C ATOM 716 O SER A 49 1.822 0.408 -4.748 1.00 0.00 O ATOM 717 CB SER A 49 4.795 0.431 -3.449 1.00 0.00 C ATOM 718 OG SER A 49 5.629 0.036 -2.379 1.00 0.00 O ATOM 0 H SER A 49 5.392 -1.884 -3.973 1.00 0.00 H new ATOM 0 HA SER A 49 3.073 -0.728 -2.872 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.397 0.596 -4.342 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.314 1.379 -3.209 1.00 0.00 H new ATOM 0 HG SER A 49 6.390 -0.474 -2.728 1.00 0.00 H new ATOM 724 N LYS A 50 3.337 -0.518 -6.131 1.00 0.00 N ATOM 725 CA LYS A 50 2.618 -0.139 -7.340 1.00 0.00 C ATOM 726 C LYS A 50 1.229 -0.768 -7.354 1.00 0.00 C ATOM 727 O LYS A 50 0.246 -0.126 -7.732 1.00 0.00 O ATOM 728 CB LYS A 50 3.398 -0.558 -8.589 1.00 0.00 C ATOM 729 CG LYS A 50 2.789 -0.041 -9.884 1.00 0.00 C ATOM 730 CD LYS A 50 3.578 -0.505 -11.097 1.00 0.00 C ATOM 731 CE LYS A 50 3.028 0.088 -12.385 1.00 0.00 C ATOM 732 NZ LYS A 50 1.610 -0.292 -12.618 1.00 0.00 N ATOM 0 H LYS A 50 4.199 -1.038 -6.297 1.00 0.00 H new ATOM 0 HA LYS A 50 2.512 0.946 -7.346 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.422 -0.194 -8.507 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.448 -1.646 -8.629 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.758 -0.387 -9.966 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.759 1.048 -9.863 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.624 -0.220 -10.982 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.549 -1.593 -11.156 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.110 1.174 -12.347 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.635 -0.248 -13.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.324 0.004 -13.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.508 -1.323 -12.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.005 0.177 -11.914 1.00 0.00 H new ATOM 746 N LEU A 51 1.148 -2.016 -6.913 1.00 0.00 N ATOM 747 CA LEU A 51 -0.124 -2.722 -6.865 1.00 0.00 C ATOM 748 C LEU A 51 -0.991 -2.212 -5.727 1.00 0.00 C ATOM 749 O LEU A 51 -2.207 -2.153 -5.862 1.00 0.00 O ATOM 750 CB LEU A 51 0.079 -4.225 -6.711 1.00 0.00 C ATOM 751 CG LEU A 51 0.742 -4.925 -7.888 1.00 0.00 C ATOM 752 CD1 LEU A 51 0.799 -6.416 -7.636 1.00 0.00 C ATOM 753 CD2 LEU A 51 -0.011 -4.646 -9.172 1.00 0.00 C ATOM 0 H LEU A 51 1.946 -2.559 -6.584 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.629 -2.531 -7.812 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.682 -4.402 -5.820 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.892 -4.688 -6.536 1.00 0.00 H new ATOM 0 HG LEU A 51 1.756 -4.539 -7.993 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.275 -6.910 -8.483 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.376 -6.610 -6.732 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.212 -6.803 -7.512 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.481 -5.156 -10.000 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.035 -5.008 -9.079 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.021 -3.573 -9.362 1.00 0.00 H new ATOM 765 N ILE A 52 -0.376 -1.871 -4.601 1.00 0.00 N ATOM 766 CA ILE A 52 -1.118 -1.309 -3.480 1.00 0.00 C ATOM 767 C ILE A 52 -1.783 -0.001 -3.884 1.00 0.00 C ATOM 768 O ILE A 52 -2.949 0.235 -3.579 1.00 0.00 O ATOM 769 CB ILE A 52 -0.217 -1.041 -2.265 1.00 0.00 C ATOM 770 CG1 ILE A 52 0.633 -2.268 -1.949 1.00 0.00 C ATOM 771 CG2 ILE A 52 -1.064 -0.655 -1.063 1.00 0.00 C ATOM 772 CD1 ILE A 52 1.554 -2.063 -0.773 1.00 0.00 C ATOM 0 H ILE A 52 0.626 -1.973 -4.441 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.869 -2.048 -3.202 1.00 0.00 H new ATOM 0 HB ILE A 52 0.452 -0.214 -2.501 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.023 -3.114 -1.746 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.226 -2.528 -2.826 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.416 -0.467 -0.207 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.632 0.246 -1.293 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.752 -1.467 -0.826 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.131 -2.972 -0.600 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.233 -1.236 -0.982 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.965 -1.833 0.115 1.00 0.00 H new ATOM 784 N TYR A 53 -1.036 0.838 -4.584 1.00 0.00 N ATOM 785 CA TYR A 53 -1.555 2.114 -5.049 1.00 0.00 C ATOM 786 C TYR A 53 -2.660 1.883 -6.078 1.00 0.00 C ATOM 787 O TYR A 53 -3.691 2.556 -6.068 1.00 0.00 O ATOM 788 CB TYR A 53 -0.420 2.943 -5.644 1.00 0.00 C ATOM 789 CG TYR A 53 -0.793 4.379 -5.915 1.00 0.00 C ATOM 790 CD1 TYR A 53 -1.367 5.166 -4.921 1.00 0.00 C ATOM 791 CD2 TYR A 53 -0.572 4.951 -7.161 1.00 0.00 C ATOM 792 CE1 TYR A 53 -1.705 6.479 -5.165 1.00 0.00 C ATOM 793 CE2 TYR A 53 -0.907 6.268 -7.408 1.00 0.00 C ATOM 794 CZ TYR A 53 -1.472 7.024 -6.405 1.00 0.00 C ATOM 795 OH TYR A 53 -1.802 8.336 -6.634 1.00 0.00 O ATOM 0 H TYR A 53 -0.066 0.657 -4.843 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.981 2.663 -4.209 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.430 2.921 -4.962 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.094 2.480 -6.575 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.550 4.742 -3.945 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.132 4.357 -7.948 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.151 7.078 -4.385 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.727 6.702 -8.381 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.576 8.574 -7.557 1.00 0.00 H new ATOM 805 N ASP A 54 -2.432 0.908 -6.948 1.00 0.00 N ATOM 806 CA ASP A 54 -3.438 0.469 -7.914 1.00 0.00 C ATOM 807 C ASP A 54 -4.684 -0.037 -7.190 1.00 0.00 C ATOM 808 O ASP A 54 -5.809 0.238 -7.592 1.00 0.00 O ATOM 809 CB ASP A 54 -2.846 -0.634 -8.795 1.00 0.00 C ATOM 810 CG ASP A 54 -3.889 -1.389 -9.592 1.00 0.00 C ATOM 811 OD1 ASP A 54 -4.277 -0.908 -10.678 1.00 0.00 O ATOM 812 OD2 ASP A 54 -4.299 -2.484 -9.148 1.00 0.00 O ATOM 0 H ASP A 54 -1.550 0.399 -7.006 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.728 1.312 -8.541 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.124 -0.192 -9.482 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.300 -1.337 -8.167 1.00 0.00 H new ATOM 817 N PHE A 55 -4.450 -0.765 -6.109 1.00 0.00 N ATOM 818 CA PHE A 55 -5.504 -1.297 -5.250 1.00 0.00 C ATOM 819 C PHE A 55 -6.356 -0.177 -4.667 1.00 0.00 C ATOM 820 O PHE A 55 -7.584 -0.219 -4.726 1.00 0.00 O ATOM 821 CB PHE A 55 -4.851 -2.118 -4.131 1.00 0.00 C ATOM 822 CG PHE A 55 -5.743 -2.438 -2.969 1.00 0.00 C ATOM 823 CD1 PHE A 55 -6.610 -3.515 -3.022 1.00 0.00 C ATOM 824 CD2 PHE A 55 -5.695 -1.673 -1.811 1.00 0.00 C ATOM 825 CE1 PHE A 55 -7.414 -3.827 -1.945 1.00 0.00 C ATOM 826 CE2 PHE A 55 -6.500 -1.979 -0.734 1.00 0.00 C ATOM 827 CZ PHE A 55 -7.361 -3.059 -0.799 1.00 0.00 C ATOM 0 H PHE A 55 -3.510 -1.008 -5.797 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.166 -1.932 -5.839 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.484 -3.053 -4.555 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.982 -1.573 -3.762 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.658 -4.118 -3.917 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.021 -0.831 -1.753 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.085 -4.672 -1.998 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.458 -1.375 0.160 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.990 -3.301 0.045 1.00 0.00 H new ATOM 837 N ILE A 56 -5.685 0.816 -4.106 1.00 0.00 N ATOM 838 CA ILE A 56 -6.343 1.971 -3.513 1.00 0.00 C ATOM 839 C ILE A 56 -7.220 2.678 -4.542 1.00 0.00 C ATOM 840 O ILE A 56 -8.373 3.016 -4.272 1.00 0.00 O ATOM 841 CB ILE A 56 -5.288 2.935 -2.932 1.00 0.00 C ATOM 842 CG1 ILE A 56 -4.589 2.252 -1.755 1.00 0.00 C ATOM 843 CG2 ILE A 56 -5.912 4.256 -2.505 1.00 0.00 C ATOM 844 CD1 ILE A 56 -3.379 2.991 -1.240 1.00 0.00 C ATOM 0 H ILE A 56 -4.667 0.845 -4.048 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.988 1.632 -2.702 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.556 3.169 -3.705 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.304 2.136 -0.940 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.287 1.250 -2.059 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.139 4.910 -2.101 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.377 4.734 -3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.667 4.072 -1.741 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.943 2.440 -0.407 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.643 3.084 -2.038 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.676 3.984 -0.902 1.00 0.00 H new ATOM 856 N GLU A 57 -6.670 2.868 -5.730 1.00 0.00 N ATOM 857 CA GLU A 57 -7.408 3.456 -6.836 1.00 0.00 C ATOM 858 C GLU A 57 -8.556 2.552 -7.281 1.00 0.00 C ATOM 859 O GLU A 57 -9.656 3.019 -7.578 1.00 0.00 O ATOM 860 CB GLU A 57 -6.457 3.705 -8.002 1.00 0.00 C ATOM 861 CG GLU A 57 -5.986 5.145 -8.099 1.00 0.00 C ATOM 862 CD GLU A 57 -7.137 6.103 -8.319 1.00 0.00 C ATOM 863 OE1 GLU A 57 -7.786 6.038 -9.386 1.00 0.00 O ATOM 864 OE2 GLU A 57 -7.405 6.925 -7.417 1.00 0.00 O ATOM 0 H GLU A 57 -5.706 2.621 -5.954 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.838 4.400 -6.502 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.590 3.053 -7.899 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.954 3.430 -8.932 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.458 5.416 -7.185 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.274 5.239 -8.919 1.00 0.00 H new ATOM 871 N ASP A 58 -8.287 1.255 -7.311 1.00 0.00 N ATOM 872 CA ASP A 58 -9.260 0.257 -7.749 1.00 0.00 C ATOM 873 C ASP A 58 -10.483 0.218 -6.834 1.00 0.00 C ATOM 874 O ASP A 58 -11.596 -0.052 -7.288 1.00 0.00 O ATOM 875 CB ASP A 58 -8.600 -1.123 -7.812 1.00 0.00 C ATOM 876 CG ASP A 58 -9.557 -2.228 -8.212 1.00 0.00 C ATOM 877 OD1 ASP A 58 -10.204 -2.112 -9.277 1.00 0.00 O ATOM 878 OD2 ASP A 58 -9.645 -3.234 -7.476 1.00 0.00 O ATOM 0 H ASP A 58 -7.388 0.861 -7.033 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.604 0.540 -8.744 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.775 -1.091 -8.524 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.172 -1.358 -6.838 1.00 0.00 H new ATOM 883 N GLN A 59 -10.280 0.507 -5.553 1.00 0.00 N ATOM 884 CA GLN A 59 -11.377 0.498 -4.584 1.00 0.00 C ATOM 885 C GLN A 59 -12.221 1.767 -4.684 1.00 0.00 C ATOM 886 O GLN A 59 -13.201 1.936 -3.957 1.00 0.00 O ATOM 887 CB GLN A 59 -10.843 0.341 -3.158 1.00 0.00 C ATOM 888 CG GLN A 59 -10.126 -0.976 -2.916 1.00 0.00 C ATOM 889 CD GLN A 59 -10.986 -2.182 -3.247 1.00 0.00 C ATOM 890 OE1 GLN A 59 -12.213 -2.149 -3.131 1.00 0.00 O ATOM 891 NE2 GLN A 59 -10.346 -3.255 -3.678 1.00 0.00 N ATOM 0 H GLN A 59 -9.371 0.750 -5.160 1.00 0.00 H new ATOM 0 HA GLN A 59 -12.011 -0.356 -4.821 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -10.159 1.162 -2.943 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.673 0.427 -2.457 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.218 -1.006 -3.518 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.818 -1.030 -1.872 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.329 -3.244 -3.761 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.869 -4.094 -3.928 1.00 0.00 H new ATOM 900 N GLY A 60 -11.851 2.648 -5.598 1.00 0.00 N ATOM 901 CA GLY A 60 -12.591 3.878 -5.781 1.00 0.00 C ATOM 902 C GLY A 60 -11.740 5.103 -5.535 1.00 0.00 C ATOM 903 O GLY A 60 -12.113 6.211 -5.917 1.00 0.00 O ATOM 0 H GLY A 60 -11.049 2.533 -6.218 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.988 3.912 -6.795 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.445 3.890 -5.104 1.00 0.00 H new ATOM 907 N GLY A 61 -10.590 4.910 -4.911 1.00 0.00 N ATOM 908 CA GLY A 61 -9.690 6.015 -4.670 1.00 0.00 C ATOM 909 C GLY A 61 -9.158 6.035 -3.256 1.00 0.00 C ATOM 910 O GLY A 61 -9.527 5.197 -2.430 1.00 0.00 O ATOM 0 H GLY A 61 -10.264 4.007 -4.567 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.854 5.957 -5.368 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.209 6.952 -4.872 1.00 0.00 H new ATOM 914 N LEU A 62 -8.306 7.014 -2.974 1.00 0.00 N ATOM 915 CA LEU A 62 -7.643 7.120 -1.677 1.00 0.00 C ATOM 916 C LEU A 62 -8.653 7.265 -0.538 1.00 0.00 C ATOM 917 O LEU A 62 -8.411 6.805 0.578 1.00 0.00 O ATOM 918 CB LEU A 62 -6.691 8.315 -1.679 1.00 0.00 C ATOM 919 CG LEU A 62 -5.715 8.376 -0.503 1.00 0.00 C ATOM 920 CD1 LEU A 62 -4.743 7.202 -0.549 1.00 0.00 C ATOM 921 CD2 LEU A 62 -4.964 9.698 -0.509 1.00 0.00 C ATOM 0 H LEU A 62 -8.056 7.752 -3.632 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.081 6.201 -1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.117 8.300 -2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.283 9.230 -1.686 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.284 8.307 0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.057 7.264 0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.300 6.266 -0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.176 7.235 -1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.273 9.728 0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.406 9.795 -1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.674 10.520 -0.425 1.00 0.00 H new ATOM 933 N GLU A 63 -9.788 7.891 -0.831 1.00 0.00 N ATOM 934 CA GLU A 63 -10.816 8.127 0.163 1.00 0.00 C ATOM 935 C GLU A 63 -11.510 6.821 0.549 1.00 0.00 C ATOM 936 O GLU A 63 -11.747 6.562 1.728 1.00 0.00 O ATOM 937 CB GLU A 63 -11.832 9.143 -0.379 1.00 0.00 C ATOM 938 CG GLU A 63 -13.256 8.842 0.025 1.00 0.00 C ATOM 939 CD GLU A 63 -14.263 9.805 -0.562 1.00 0.00 C ATOM 940 OE1 GLU A 63 -14.728 9.567 -1.698 1.00 0.00 O ATOM 941 OE2 GLU A 63 -14.618 10.788 0.117 1.00 0.00 O ATOM 0 H GLU A 63 -10.016 8.245 -1.760 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.352 8.533 1.061 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.564 10.138 -0.024 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.768 9.165 -1.467 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.508 7.829 -0.288 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.331 8.868 1.112 1.00 0.00 H new ATOM 948 N ALA A 64 -11.800 5.994 -0.452 1.00 0.00 N ATOM 949 CA ALA A 64 -12.561 4.768 -0.245 1.00 0.00 C ATOM 950 C ALA A 64 -11.862 3.839 0.738 1.00 0.00 C ATOM 951 O ALA A 64 -12.496 3.260 1.618 1.00 0.00 O ATOM 952 CB ALA A 64 -12.787 4.064 -1.571 1.00 0.00 C ATOM 0 H ALA A 64 -11.517 6.153 -1.419 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.526 5.038 0.184 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.356 3.149 -1.405 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.342 4.720 -2.241 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.825 3.816 -2.020 1.00 0.00 H new ATOM 958 N VAL A 65 -10.548 3.738 0.601 1.00 0.00 N ATOM 959 CA VAL A 65 -9.747 2.857 1.439 1.00 0.00 C ATOM 960 C VAL A 65 -9.814 3.298 2.897 1.00 0.00 C ATOM 961 O VAL A 65 -9.908 2.476 3.810 1.00 0.00 O ATOM 962 CB VAL A 65 -8.280 2.843 0.964 1.00 0.00 C ATOM 963 CG1 VAL A 65 -7.406 2.032 1.903 1.00 0.00 C ATOM 964 CG2 VAL A 65 -8.196 2.299 -0.453 1.00 0.00 C ATOM 0 H VAL A 65 -10.009 4.261 -0.090 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.154 1.849 1.356 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.908 3.868 0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.378 2.041 1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.443 2.467 2.902 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.768 1.005 1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.156 2.293 -0.779 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.589 1.283 -0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.782 2.931 -1.121 1.00 0.00 H new ATOM 974 N ARG A 66 -9.797 4.609 3.098 1.00 0.00 N ATOM 975 CA ARG A 66 -9.872 5.183 4.432 1.00 0.00 C ATOM 976 C ARG A 66 -11.230 4.893 5.059 1.00 0.00 C ATOM 977 O ARG A 66 -11.356 4.752 6.277 1.00 0.00 O ATOM 978 CB ARG A 66 -9.644 6.690 4.360 1.00 0.00 C ATOM 979 CG ARG A 66 -8.309 7.064 3.744 1.00 0.00 C ATOM 980 CD ARG A 66 -8.093 8.567 3.738 1.00 0.00 C ATOM 981 NE ARG A 66 -7.939 9.093 5.090 1.00 0.00 N ATOM 982 CZ ARG A 66 -6.863 9.757 5.506 1.00 0.00 C ATOM 983 NH1 ARG A 66 -5.896 10.067 4.651 1.00 0.00 N ATOM 984 NH2 ARG A 66 -6.766 10.134 6.771 1.00 0.00 N ATOM 0 H ARG A 66 -9.731 5.297 2.348 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.098 4.731 5.052 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.446 7.145 3.778 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.703 7.108 5.365 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.504 6.583 4.300 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.261 6.686 2.723 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.206 8.805 3.151 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.938 9.055 3.251 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.699 8.944 5.754 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.976 9.796 3.671 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.073 10.576 4.974 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.516 9.916 7.427 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.941 10.643 7.090 1.00 0.00 H new ATOM 998 N GLN A 67 -12.240 4.783 4.206 1.00 0.00 N ATOM 999 CA GLN A 67 -13.596 4.527 4.654 1.00 0.00 C ATOM 1000 C GLN A 67 -13.746 3.077 5.079 1.00 0.00 C ATOM 1001 O GLN A 67 -14.442 2.779 6.050 1.00 0.00 O ATOM 1002 CB GLN A 67 -14.602 4.846 3.548 1.00 0.00 C ATOM 1003 CG GLN A 67 -14.561 6.288 3.068 1.00 0.00 C ATOM 1004 CD GLN A 67 -15.026 7.282 4.116 1.00 0.00 C ATOM 1005 OE1 GLN A 67 -14.856 7.070 5.318 1.00 0.00 O ATOM 1006 NE2 GLN A 67 -15.623 8.375 3.669 1.00 0.00 N ATOM 0 H GLN A 67 -12.141 4.868 3.194 1.00 0.00 H new ATOM 0 HA GLN A 67 -13.798 5.174 5.508 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -14.415 4.187 2.700 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -15.606 4.623 3.910 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -13.542 6.535 2.769 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -15.187 6.386 2.181 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -15.746 8.515 2.666 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -15.961 9.077 4.327 1.00 0.00 H new ATOM 1015 N GLU A 68 -13.067 2.181 4.358 1.00 0.00 N ATOM 1016 CA GLU A 68 -13.183 0.742 4.592 1.00 0.00 C ATOM 1017 C GLU A 68 -12.715 0.357 5.987 1.00 0.00 C ATOM 1018 O GLU A 68 -13.138 -0.666 6.524 1.00 0.00 O ATOM 1019 CB GLU A 68 -12.406 -0.045 3.538 1.00 0.00 C ATOM 1020 CG GLU A 68 -12.863 0.257 2.127 1.00 0.00 C ATOM 1021 CD GLU A 68 -12.528 -0.842 1.145 1.00 0.00 C ATOM 1022 OE1 GLU A 68 -12.884 -2.004 1.413 1.00 0.00 O ATOM 1023 OE2 GLU A 68 -11.959 -0.536 0.081 1.00 0.00 O ATOM 0 H GLU A 68 -12.428 2.430 3.603 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.240 0.488 4.513 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.344 0.185 3.628 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.519 -1.112 3.731 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.941 0.419 2.128 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.402 1.187 1.794 1.00 0.00 H new ATOM 1030 N MET A 69 -11.873 1.199 6.575 1.00 0.00 N ATOM 1031 CA MET A 69 -11.376 0.981 7.932 1.00 0.00 C ATOM 1032 C MET A 69 -12.528 0.847 8.914 1.00 0.00 C ATOM 1033 O MET A 69 -12.476 0.064 9.861 1.00 0.00 O ATOM 1034 CB MET A 69 -10.489 2.144 8.358 1.00 0.00 C ATOM 1035 CG MET A 69 -9.060 2.019 7.887 1.00 0.00 C ATOM 1036 SD MET A 69 -8.198 0.672 8.713 1.00 0.00 S ATOM 1037 CE MET A 69 -6.568 0.856 8.015 1.00 0.00 C ATOM 0 H MET A 69 -11.517 2.045 6.131 1.00 0.00 H new ATOM 0 HA MET A 69 -10.798 0.057 7.935 1.00 0.00 H new ATOM 0 HB2 MET A 69 -10.910 3.072 7.971 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.499 2.218 9.445 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.046 1.853 6.810 1.00 0.00 H new ATOM 0 HG3 MET A 69 -8.533 2.955 8.072 1.00 0.00 H new ATOM 0 HE1 MET A 69 -5.862 0.242 8.573 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.581 0.538 6.972 1.00 0.00 H new ATOM 0 HE3 MET A 69 -6.264 1.901 8.072 1.00 0.00 H new ATOM 1047 N ARG A 70 -13.567 1.625 8.668 1.00 0.00 N ATOM 1048 CA ARG A 70 -14.750 1.615 9.493 1.00 0.00 C ATOM 1049 C ARG A 70 -15.967 1.319 8.626 1.00 0.00 C ATOM 1050 O ARG A 70 -17.064 1.825 8.857 1.00 0.00 O ATOM 1051 CB ARG A 70 -14.893 2.952 10.236 1.00 0.00 C ATOM 1052 CG ARG A 70 -14.922 4.200 9.352 1.00 0.00 C ATOM 1053 CD ARG A 70 -13.519 4.706 9.004 1.00 0.00 C ATOM 1054 NE ARG A 70 -12.660 4.832 10.187 1.00 0.00 N ATOM 1055 CZ ARG A 70 -11.363 5.158 10.145 1.00 0.00 C ATOM 1056 NH1 ARG A 70 -10.771 5.441 8.985 1.00 0.00 N ATOM 1057 NH2 ARG A 70 -10.658 5.207 11.269 1.00 0.00 N ATOM 0 H ARG A 70 -13.609 2.281 7.888 1.00 0.00 H new ATOM 0 HA ARG A 70 -14.668 0.832 10.247 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -15.810 2.924 10.824 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -14.066 3.046 10.940 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -15.463 3.977 8.432 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -15.473 4.990 9.862 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.055 4.022 8.293 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -13.597 5.675 8.510 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.079 4.660 11.101 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.307 5.410 8.118 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.782 5.688 8.964 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.105 4.996 12.161 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -9.669 5.455 11.240 1.00 0.00 H new ATOM 1203 N VAL B 79 -10.103 -3.308 4.031 1.00 0.00 N ATOM 1204 CA VAL B 79 -9.200 -3.342 2.877 1.00 0.00 C ATOM 1205 C VAL B 79 -8.075 -4.373 3.030 1.00 0.00 C ATOM 1206 O VAL B 79 -7.655 -4.987 2.050 1.00 0.00 O ATOM 1207 CB VAL B 79 -8.542 -1.970 2.650 1.00 0.00 C ATOM 1208 CG1 VAL B 79 -9.021 -1.324 1.371 1.00 0.00 C ATOM 1209 CG2 VAL B 79 -8.787 -1.035 3.818 1.00 0.00 C ATOM 0 HA VAL B 79 -9.825 -3.620 2.029 1.00 0.00 H new ATOM 0 HB VAL B 79 -7.470 -2.150 2.566 1.00 0.00 H new ATOM 0 HG11 VAL B 79 -8.533 -0.357 1.247 1.00 0.00 H new ATOM 0 HG12 VAL B 79 -8.775 -1.966 0.525 1.00 0.00 H new ATOM 0 HG13 VAL B 79 -10.101 -1.182 1.417 1.00 0.00 H new ATOM 0 HG21 VAL B 79 -8.308 -0.076 3.623 1.00 0.00 H new ATOM 0 HG22 VAL B 79 -9.859 -0.886 3.946 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -8.370 -1.470 4.726 1.00 0.00 H new ATOM 1219 N ALA B 80 -7.600 -4.561 4.256 1.00 0.00 N ATOM 1220 CA ALA B 80 -6.400 -5.356 4.519 1.00 0.00 C ATOM 1221 C ALA B 80 -6.470 -6.773 3.942 1.00 0.00 C ATOM 1222 O ALA B 80 -5.493 -7.265 3.374 1.00 0.00 O ATOM 1223 CB ALA B 80 -6.122 -5.386 6.009 1.00 0.00 C ATOM 0 H ALA B 80 -8.031 -4.170 5.094 1.00 0.00 H new ATOM 0 HA ALA B 80 -5.573 -4.869 4.002 1.00 0.00 H new ATOM 0 HB1 ALA B 80 -5.228 -5.979 6.200 1.00 0.00 H new ATOM 0 HB2 ALA B 80 -5.968 -4.369 6.371 1.00 0.00 H new ATOM 0 HB3 ALA B 80 -6.971 -5.831 6.529 1.00 0.00 H new ATOM 1229 N GLN B 81 -7.621 -7.426 4.060 1.00 0.00 N ATOM 1230 CA GLN B 81 -7.774 -8.785 3.537 1.00 0.00 C ATOM 1231 C GLN B 81 -7.761 -8.755 2.016 1.00 0.00 C ATOM 1232 O GLN B 81 -7.267 -9.674 1.356 1.00 0.00 O ATOM 1233 CB GLN B 81 -9.089 -9.418 4.020 1.00 0.00 C ATOM 1234 CG GLN B 81 -10.334 -8.787 3.399 1.00 0.00 C ATOM 1235 CD GLN B 81 -11.635 -9.459 3.800 1.00 0.00 C ATOM 1236 OE1 GLN B 81 -11.582 -10.743 4.109 1.00 0.00 O flip ATOM 1237 NE2 GLN B 81 -12.685 -8.820 3.836 1.00 0.00 N flip ATOM 0 H GLN B 81 -8.455 -7.045 4.507 1.00 0.00 H new ATOM 0 HA GLN B 81 -6.942 -9.386 3.905 1.00 0.00 H new ATOM 0 HB2 GLN B 81 -9.077 -10.483 3.788 1.00 0.00 H new ATOM 0 HB3 GLN B 81 -9.149 -9.329 5.105 1.00 0.00 H new ATOM 0 HG2 GLN B 81 -10.377 -7.736 3.685 1.00 0.00 H new ATOM 0 HG3 GLN B 81 -10.241 -8.818 2.313 1.00 0.00 H new ATOM 0 HE21 GLN B 81 -12.688 -7.830 3.591 1.00 0.00 H new ATOM 0 HE22 GLN B 81 -13.553 -9.280 4.111 1.00 0.00 H new ATOM 1246 N ARG B 82 -8.287 -7.669 1.483 1.00 0.00 N ATOM 1247 CA ARG B 82 -8.437 -7.491 0.056 1.00 0.00 C ATOM 1248 C ARG B 82 -7.088 -7.154 -0.571 1.00 0.00 C ATOM 1249 O ARG B 82 -6.905 -7.258 -1.782 1.00 0.00 O ATOM 1250 CB ARG B 82 -9.455 -6.376 -0.195 1.00 0.00 C ATOM 1251 CG ARG B 82 -9.926 -6.271 -1.629 1.00 0.00 C ATOM 1252 CD ARG B 82 -10.553 -7.570 -2.101 1.00 0.00 C ATOM 1253 NE ARG B 82 -11.439 -7.368 -3.247 1.00 0.00 N ATOM 1254 CZ ARG B 82 -11.737 -8.311 -4.142 1.00 0.00 C ATOM 1255 NH1 ARG B 82 -11.209 -9.523 -4.045 1.00 0.00 N ATOM 1256 NH2 ARG B 82 -12.585 -8.048 -5.127 1.00 0.00 N ATOM 0 H ARG B 82 -8.624 -6.880 2.035 1.00 0.00 H new ATOM 0 HA ARG B 82 -8.797 -8.412 -0.403 1.00 0.00 H new ATOM 0 HB2 ARG B 82 -10.320 -6.539 0.448 1.00 0.00 H new ATOM 0 HB3 ARG B 82 -9.013 -5.424 0.100 1.00 0.00 H new ATOM 0 HG2 ARG B 82 -10.651 -5.462 -1.717 1.00 0.00 H new ATOM 0 HG3 ARG B 82 -9.084 -6.016 -2.273 1.00 0.00 H new ATOM 0 HD2 ARG B 82 -9.766 -8.275 -2.371 1.00 0.00 H new ATOM 0 HD3 ARG B 82 -11.116 -8.019 -1.283 1.00 0.00 H new ATOM 0 HE ARG B 82 -11.856 -6.445 -3.370 1.00 0.00 H new ATOM 0 HH11 ARG B 82 -10.569 -9.741 -3.281 1.00 0.00 H new ATOM 0 HH12 ARG B 82 -11.443 -10.238 -4.734 1.00 0.00 H new ATOM 0 HH21 ARG B 82 -13.010 -7.124 -5.201 1.00 0.00 H new ATOM 0 HH22 ARG B 82 -12.812 -8.770 -5.811 1.00 0.00 H new ATOM 1270 N LEU B 83 -6.136 -6.780 0.274 1.00 0.00 N ATOM 1271 CA LEU B 83 -4.805 -6.422 -0.190 1.00 0.00 C ATOM 1272 C LEU B 83 -3.961 -7.667 -0.358 1.00 0.00 C ATOM 1273 O LEU B 83 -3.209 -7.788 -1.325 1.00 0.00 O ATOM 1274 CB LEU B 83 -4.122 -5.449 0.776 1.00 0.00 C ATOM 1275 CG LEU B 83 -3.904 -4.042 0.222 1.00 0.00 C ATOM 1276 CD1 LEU B 83 -3.349 -3.113 1.289 1.00 0.00 C ATOM 1277 CD2 LEU B 83 -2.979 -4.079 -0.986 1.00 0.00 C ATOM 0 H LEU B 83 -6.262 -6.717 1.284 1.00 0.00 H new ATOM 0 HA LEU B 83 -4.907 -5.924 -1.154 1.00 0.00 H new ATOM 0 HB2 LEU B 83 -4.723 -5.378 1.683 1.00 0.00 H new ATOM 0 HB3 LEU B 83 -3.156 -5.864 1.065 1.00 0.00 H new ATOM 0 HG LEU B 83 -4.872 -3.653 -0.094 1.00 0.00 H new ATOM 0 HD11 LEU B 83 -3.204 -2.119 0.866 1.00 0.00 H new ATOM 0 HD12 LEU B 83 -4.050 -3.055 2.121 1.00 0.00 H new ATOM 0 HD13 LEU B 83 -2.394 -3.498 1.646 1.00 0.00 H new ATOM 0 HD21 LEU B 83 -2.836 -3.067 -1.366 1.00 0.00 H new ATOM 0 HD22 LEU B 83 -2.015 -4.496 -0.694 1.00 0.00 H new ATOM 0 HD23 LEU B 83 -3.422 -4.700 -1.765 1.00 0.00 H new ATOM 1289 N MET B 84 -4.115 -8.609 0.567 1.00 0.00 N ATOM 1290 CA MET B 84 -3.384 -9.870 0.495 1.00 0.00 C ATOM 1291 C MET B 84 -3.709 -10.581 -0.813 1.00 0.00 C ATOM 1292 O MET B 84 -2.852 -11.218 -1.420 1.00 0.00 O ATOM 1293 CB MET B 84 -3.744 -10.769 1.677 1.00 0.00 C ATOM 1294 CG MET B 84 -3.445 -10.157 3.034 1.00 0.00 C ATOM 1295 SD MET B 84 -3.954 -11.225 4.395 1.00 0.00 S ATOM 1296 CE MET B 84 -3.551 -10.181 5.790 1.00 0.00 C ATOM 0 H MET B 84 -4.736 -8.524 1.372 1.00 0.00 H new ATOM 0 HA MET B 84 -2.316 -9.655 0.535 1.00 0.00 H new ATOM 0 HB2 MET B 84 -4.805 -11.011 1.625 1.00 0.00 H new ATOM 0 HB3 MET B 84 -3.198 -11.708 1.585 1.00 0.00 H new ATOM 0 HG2 MET B 84 -2.376 -9.957 3.112 1.00 0.00 H new ATOM 0 HG3 MET B 84 -3.956 -9.198 3.118 1.00 0.00 H new ATOM 0 HE1 MET B 84 -3.806 -10.697 6.716 1.00 0.00 H new ATOM 0 HE2 MET B 84 -2.484 -9.958 5.781 1.00 0.00 H new ATOM 0 HE3 MET B 84 -4.117 -9.252 5.724 1.00 0.00 H new ATOM 1306 N GLN B 85 -4.955 -10.437 -1.246 1.00 0.00 N ATOM 1307 CA GLN B 85 -5.411 -11.022 -2.498 1.00 0.00 C ATOM 1308 C GLN B 85 -4.846 -10.249 -3.690 1.00 0.00 C ATOM 1309 O GLN B 85 -4.496 -10.833 -4.713 1.00 0.00 O ATOM 1310 CB GLN B 85 -6.939 -10.990 -2.560 1.00 0.00 C ATOM 1311 CG GLN B 85 -7.626 -11.670 -1.387 1.00 0.00 C ATOM 1312 CD GLN B 85 -9.104 -11.337 -1.315 1.00 0.00 C ATOM 1313 OE1 GLN B 85 -9.746 -11.080 -2.332 1.00 0.00 O ATOM 1314 NE2 GLN B 85 -9.652 -11.333 -0.113 1.00 0.00 N ATOM 0 H GLN B 85 -5.672 -9.915 -0.743 1.00 0.00 H new ATOM 0 HA GLN B 85 -5.060 -12.053 -2.543 1.00 0.00 H new ATOM 0 HB2 GLN B 85 -7.268 -9.952 -2.607 1.00 0.00 H new ATOM 0 HB3 GLN B 85 -7.264 -11.469 -3.484 1.00 0.00 H new ATOM 0 HG2 GLN B 85 -7.503 -12.750 -1.472 1.00 0.00 H new ATOM 0 HG3 GLN B 85 -7.142 -11.366 -0.459 1.00 0.00 H new ATOM 0 HE21 GLN B 85 -9.085 -11.552 0.707 1.00 0.00 H new ATOM 0 HE22 GLN B 85 -10.642 -11.111 -0.004 1.00 0.00 H new ATOM 1323 N HIS B 86 -4.738 -8.933 -3.531 1.00 0.00 N ATOM 1324 CA HIS B 86 -4.393 -8.048 -4.639 1.00 0.00 C ATOM 1325 C HIS B 86 -2.925 -8.204 -5.045 1.00 0.00 C ATOM 1326 O HIS B 86 -2.597 -8.128 -6.229 1.00 0.00 O ATOM 1327 CB HIS B 86 -4.702 -6.591 -4.265 1.00 0.00 C ATOM 1328 CG HIS B 86 -4.706 -5.653 -5.434 1.00 0.00 C ATOM 1329 ND1 HIS B 86 -5.830 -5.403 -6.194 1.00 0.00 N ATOM 1330 CD2 HIS B 86 -3.716 -4.907 -5.973 1.00 0.00 C ATOM 1331 CE1 HIS B 86 -5.528 -4.549 -7.153 1.00 0.00 C ATOM 1332 NE2 HIS B 86 -4.256 -4.232 -7.042 1.00 0.00 N ATOM 0 H HIS B 86 -4.885 -8.455 -2.642 1.00 0.00 H new ATOM 0 HA HIS B 86 -5.001 -8.328 -5.499 1.00 0.00 H new ATOM 0 HB2 HIS B 86 -5.675 -6.550 -3.775 1.00 0.00 H new ATOM 0 HB3 HIS B 86 -3.965 -6.248 -3.539 1.00 0.00 H new ATOM 0 HD2 HIS B 86 -2.694 -4.852 -5.629 1.00 0.00 H new ATOM 0 HE1 HIS B 86 -6.209 -4.174 -7.902 1.00 0.00 H new ATOM 0 HE2 HIS B 86 -3.751 -3.588 -7.651 1.00 0.00 H new ATOM 1341 N LEU B 87 -2.043 -8.422 -4.076 1.00 0.00 N ATOM 1342 CA LEU B 87 -0.630 -8.625 -4.385 1.00 0.00 C ATOM 1343 C LEU B 87 -0.386 -10.036 -4.910 1.00 0.00 C ATOM 1344 O LEU B 87 0.402 -10.237 -5.835 1.00 0.00 O ATOM 1345 CB LEU B 87 0.269 -8.383 -3.163 1.00 0.00 C ATOM 1346 CG LEU B 87 0.498 -6.921 -2.757 1.00 0.00 C ATOM 1347 CD1 LEU B 87 0.369 -5.988 -3.953 1.00 0.00 C ATOM 1348 CD2 LEU B 87 -0.456 -6.513 -1.648 1.00 0.00 C ATOM 0 H LEU B 87 -2.275 -8.463 -3.084 1.00 0.00 H new ATOM 0 HA LEU B 87 -0.372 -7.896 -5.153 1.00 0.00 H new ATOM 0 HB2 LEU B 87 -0.164 -8.909 -2.312 1.00 0.00 H new ATOM 0 HB3 LEU B 87 1.240 -8.838 -3.359 1.00 0.00 H new ATOM 0 HG LEU B 87 1.517 -6.837 -2.379 1.00 0.00 H new ATOM 0 HD11 LEU B 87 0.537 -4.960 -3.632 1.00 0.00 H new ATOM 0 HD12 LEU B 87 1.109 -6.258 -4.707 1.00 0.00 H new ATOM 0 HD13 LEU B 87 -0.631 -6.077 -4.378 1.00 0.00 H new ATOM 0 HD21 LEU B 87 -0.275 -5.473 -1.377 1.00 0.00 H new ATOM 0 HD22 LEU B 87 -1.484 -6.625 -1.993 1.00 0.00 H new ATOM 0 HD23 LEU B 87 -0.295 -7.148 -0.777 1.00 0.00 H new ATOM 1360 N ALA B 88 -1.092 -10.997 -4.328 1.00 0.00 N ATOM 1361 CA ALA B 88 -0.866 -12.418 -4.601 1.00 0.00 C ATOM 1362 C ALA B 88 -1.104 -12.789 -6.067 1.00 0.00 C ATOM 1363 O ALA B 88 -0.547 -13.773 -6.560 1.00 0.00 O ATOM 1364 CB ALA B 88 -1.758 -13.263 -3.703 1.00 0.00 C ATOM 0 H ALA B 88 -1.837 -10.818 -3.654 1.00 0.00 H new ATOM 0 HA ALA B 88 0.184 -12.620 -4.389 1.00 0.00 H new ATOM 0 HB1 ALA B 88 -1.586 -14.319 -3.910 1.00 0.00 H new ATOM 0 HB2 ALA B 88 -1.525 -13.055 -2.659 1.00 0.00 H new ATOM 0 HB3 ALA B 88 -2.803 -13.021 -3.896 1.00 0.00 H new ATOM 1370 N GLU B 89 -1.913 -12.002 -6.761 1.00 0.00 N ATOM 1371 CA GLU B 89 -2.315 -12.328 -8.128 1.00 0.00 C ATOM 1372 C GLU B 89 -1.297 -11.885 -9.179 1.00 0.00 C ATOM 1373 O GLU B 89 -1.548 -12.020 -10.378 1.00 0.00 O ATOM 1374 CB GLU B 89 -3.670 -11.707 -8.438 1.00 0.00 C ATOM 1375 CG GLU B 89 -4.793 -12.240 -7.567 1.00 0.00 C ATOM 1376 CD GLU B 89 -5.030 -13.723 -7.771 1.00 0.00 C ATOM 1377 OE1 GLU B 89 -4.292 -14.533 -7.171 1.00 0.00 O ATOM 1378 OE2 GLU B 89 -5.956 -14.091 -8.522 1.00 0.00 O ATOM 0 H GLU B 89 -2.306 -11.132 -6.403 1.00 0.00 H new ATOM 0 HA GLU B 89 -2.375 -13.415 -8.180 1.00 0.00 H new ATOM 0 HB2 GLU B 89 -3.603 -10.627 -8.311 1.00 0.00 H new ATOM 0 HB3 GLU B 89 -3.914 -11.890 -9.484 1.00 0.00 H new ATOM 0 HG2 GLU B 89 -4.556 -12.054 -6.520 1.00 0.00 H new ATOM 0 HG3 GLU B 89 -5.710 -11.695 -7.788 1.00 0.00 H new ATOM 1385 N HIS B 90 -0.158 -11.349 -8.757 1.00 0.00 N ATOM 1386 CA HIS B 90 0.829 -10.877 -9.725 1.00 0.00 C ATOM 1387 C HIS B 90 2.207 -11.502 -9.494 1.00 0.00 C ATOM 1388 O HIS B 90 2.462 -12.630 -9.920 1.00 0.00 O ATOM 1389 CB HIS B 90 0.923 -9.345 -9.720 1.00 0.00 C ATOM 1390 CG HIS B 90 -0.341 -8.661 -10.147 1.00 0.00 C ATOM 1391 ND1 HIS B 90 -0.625 -8.341 -11.456 1.00 0.00 N ATOM 1392 CD2 HIS B 90 -1.398 -8.233 -9.421 1.00 0.00 C ATOM 1393 CE1 HIS B 90 -1.803 -7.749 -11.514 1.00 0.00 C ATOM 1394 NE2 HIS B 90 -2.295 -7.672 -10.290 1.00 0.00 N ATOM 0 H HIS B 90 0.103 -11.231 -7.778 1.00 0.00 H new ATOM 0 HA HIS B 90 0.485 -11.198 -10.708 1.00 0.00 H new ATOM 0 HB2 HIS B 90 1.186 -9.009 -8.717 1.00 0.00 H new ATOM 0 HB3 HIS B 90 1.733 -9.038 -10.381 1.00 0.00 H new ATOM 0 HD2 HIS B 90 -1.514 -8.318 -8.351 1.00 0.00 H new ATOM 0 HE1 HIS B 90 -2.284 -7.388 -12.411 1.00 0.00 H new ATOM 0 HE2 HIS B 90 -3.194 -7.263 -10.035 1.00 0.00 H new ATOM 1403 N GLY B 91 3.080 -10.781 -8.803 1.00 0.00 N ATOM 1404 CA GLY B 91 4.434 -11.253 -8.567 1.00 0.00 C ATOM 1405 C GLY B 91 5.115 -10.427 -7.498 1.00 0.00 C ATOM 1406 O GLY B 91 6.178 -9.848 -7.718 1.00 0.00 O ATOM 0 H GLY B 91 2.873 -9.868 -8.397 1.00 0.00 H new ATOM 0 HA2 GLY B 91 4.411 -12.300 -8.264 1.00 0.00 H new ATOM 0 HA3 GLY B 91 5.008 -11.202 -9.492 1.00 0.00 H new ATOM 1410 N ILE B 92 4.484 -10.374 -6.341 1.00 0.00 N ATOM 1411 CA ILE B 92 4.921 -9.515 -5.253 1.00 0.00 C ATOM 1412 C ILE B 92 5.776 -10.285 -4.263 1.00 0.00 C ATOM 1413 O ILE B 92 5.577 -11.485 -4.068 1.00 0.00 O ATOM 1414 CB ILE B 92 3.697 -8.914 -4.535 1.00 0.00 C ATOM 1415 CG1 ILE B 92 2.905 -8.068 -5.524 1.00 0.00 C ATOM 1416 CG2 ILE B 92 4.100 -8.091 -3.322 1.00 0.00 C ATOM 1417 CD1 ILE B 92 3.763 -7.112 -6.324 1.00 0.00 C ATOM 0 H ILE B 92 3.653 -10.925 -6.127 1.00 0.00 H new ATOM 0 HA ILE B 92 5.525 -8.710 -5.673 1.00 0.00 H new ATOM 0 HB ILE B 92 3.074 -9.730 -4.169 1.00 0.00 H new ATOM 0 HG12 ILE B 92 2.374 -8.728 -6.210 1.00 0.00 H new ATOM 0 HG13 ILE B 92 2.151 -7.499 -4.981 1.00 0.00 H new ATOM 0 HG21 ILE B 92 3.208 -7.685 -2.845 1.00 0.00 H new ATOM 0 HG22 ILE B 92 4.634 -8.724 -2.614 1.00 0.00 H new ATOM 0 HG23 ILE B 92 4.747 -7.272 -3.637 1.00 0.00 H new ATOM 0 HD11 ILE B 92 3.133 -6.543 -7.007 1.00 0.00 H new ATOM 0 HD12 ILE B 92 4.274 -6.428 -5.647 1.00 0.00 H new ATOM 0 HD13 ILE B 92 4.501 -7.676 -6.895 1.00 0.00 H new ATOM 1429 N GLN B 93 6.736 -9.601 -3.652 1.00 0.00 N ATOM 1430 CA GLN B 93 7.572 -10.224 -2.636 1.00 0.00 C ATOM 1431 C GLN B 93 7.088 -9.835 -1.245 1.00 0.00 C ATOM 1432 O GLN B 93 7.282 -8.703 -0.800 1.00 0.00 O ATOM 1433 CB GLN B 93 9.038 -9.833 -2.819 1.00 0.00 C ATOM 1434 CG GLN B 93 9.580 -10.182 -4.192 1.00 0.00 C ATOM 1435 CD GLN B 93 9.480 -11.662 -4.520 1.00 0.00 C ATOM 1436 OE1 GLN B 93 9.569 -12.520 -3.642 1.00 0.00 O ATOM 1437 NE2 GLN B 93 9.280 -11.967 -5.790 1.00 0.00 N ATOM 0 H GLN B 93 6.953 -8.622 -3.841 1.00 0.00 H new ATOM 0 HA GLN B 93 7.495 -11.306 -2.746 1.00 0.00 H new ATOM 0 HB2 GLN B 93 9.145 -8.761 -2.654 1.00 0.00 H new ATOM 0 HB3 GLN B 93 9.639 -10.334 -2.060 1.00 0.00 H new ATOM 0 HG2 GLN B 93 9.035 -9.613 -4.945 1.00 0.00 H new ATOM 0 HG3 GLN B 93 10.624 -9.874 -4.252 1.00 0.00 H new ATOM 0 HE21 GLN B 93 9.212 -11.226 -6.488 1.00 0.00 H new ATOM 0 HE22 GLN B 93 9.194 -12.943 -6.073 1.00 0.00 H new