USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 500 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 51 LYS NZ :NH3+ -174:sc= -0.0989 (180deg=0) USER MOD Set 1.2: A 61 GLN : amide:sc= -2.43 X(o=-2.5,f=-2.3) USER MOD Set 2.1: A 24 MET CE :methyl -138:sc= -0.712 (180deg=0) USER MOD Set 2.2: A 27 TYR OH : rot 180:sc= 1.35 USER MOD Set 2.3: A 60 HIS : no HD1:sc= -1.48 K(o=-0.85,f=-11!) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.703 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -34:sc= 0.175 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.202 K(o=-0.2,f=-2.3!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.86 USER MOD Single : A 30 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.62) USER MOD Single : A 32 MET CE :methyl -126:sc= -0.799 (180deg=-3.66!) USER MOD Single : A 36 TYR OH : rot 150:sc= -0.0246 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 45 MET CE :methyl 164:sc= -1.47 (180deg=-2.88) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 47 ASN : amide:sc= -0.259 X(o=-0.26,f=-0.26) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -140:sc= -1.03 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 138 N ARG A 13 24.224 -14.895 -11.750 1.00 0.00 N ATOM 139 CA ARG A 13 23.591 -14.883 -13.064 1.00 0.00 C ATOM 140 C ARG A 13 23.666 -16.260 -13.717 1.00 0.00 C ATOM 141 O ARG A 13 22.782 -16.645 -14.483 1.00 0.00 O ATOM 142 CB ARG A 13 24.260 -13.843 -13.965 1.00 0.00 C ATOM 143 CG ARG A 13 25.766 -14.011 -14.076 1.00 0.00 C ATOM 144 CD ARG A 13 26.331 -13.214 -15.242 1.00 0.00 C ATOM 145 NE ARG A 13 26.636 -11.836 -14.866 1.00 0.00 N ATOM 146 CZ ARG A 13 27.065 -10.918 -15.724 1.00 0.00 C ATOM 147 NH1 ARG A 13 27.239 -11.229 -17.001 1.00 0.00 N ATOM 148 NH2 ARG A 13 27.321 -9.685 -15.306 1.00 0.00 N ATOM 0 HA ARG A 13 22.542 -14.620 -12.932 1.00 0.00 H new ATOM 0 HB2 ARG A 13 23.822 -13.903 -14.961 1.00 0.00 H new ATOM 0 HB3 ARG A 13 24.042 -12.847 -13.580 1.00 0.00 H new ATOM 0 HG2 ARG A 13 26.239 -13.686 -13.149 1.00 0.00 H new ATOM 0 HG3 ARG A 13 26.007 -15.066 -14.204 1.00 0.00 H new ATOM 0 HD2 ARG A 13 27.236 -13.699 -15.608 1.00 0.00 H new ATOM 0 HD3 ARG A 13 25.614 -13.216 -16.063 1.00 0.00 H new ATOM 0 HE ARG A 13 26.513 -11.564 -13.891 1.00 0.00 H new ATOM 0 HH11 ARG A 13 27.043 -12.176 -17.327 1.00 0.00 H new ATOM 0 HH12 ARG A 13 27.569 -10.522 -17.658 1.00 0.00 H new ATOM 0 HH21 ARG A 13 27.188 -9.441 -14.324 1.00 0.00 H new ATOM 0 HH22 ARG A 13 27.651 -8.981 -15.966 1.00 0.00 H new ATOM 162 N THR A 14 24.727 -16.999 -13.408 1.00 0.00 N ATOM 163 CA THR A 14 24.918 -18.332 -13.966 1.00 0.00 C ATOM 164 C THR A 14 25.006 -19.381 -12.863 1.00 0.00 C ATOM 165 O THR A 14 25.041 -19.050 -11.678 1.00 0.00 O ATOM 166 CB THR A 14 26.192 -18.403 -14.829 1.00 0.00 C ATOM 167 OG1 THR A 14 27.353 -18.301 -13.997 1.00 0.00 O ATOM 168 CG2 THR A 14 26.206 -17.290 -15.866 1.00 0.00 C ATOM 0 H THR A 14 25.467 -16.697 -12.774 1.00 0.00 H new ATOM 0 HA THR A 14 24.051 -18.539 -14.594 1.00 0.00 H new ATOM 0 HB THR A 14 26.200 -19.362 -15.348 1.00 0.00 H new ATOM 0 HG1 THR A 14 28.159 -18.349 -14.553 1.00 0.00 H new ATOM 0 HG21 THR A 14 27.115 -17.361 -16.463 1.00 0.00 H new ATOM 0 HG22 THR A 14 25.336 -17.387 -16.516 1.00 0.00 H new ATOM 0 HG23 THR A 14 26.177 -16.324 -15.363 1.00 0.00 H new ATOM 176 N VAL A 15 25.040 -20.649 -13.261 1.00 0.00 N ATOM 177 CA VAL A 15 25.126 -21.748 -12.306 1.00 0.00 C ATOM 178 C VAL A 15 26.547 -21.908 -11.778 1.00 0.00 C ATOM 179 O VAL A 15 26.753 -22.257 -10.616 1.00 0.00 O ATOM 180 CB VAL A 15 24.672 -23.077 -12.938 1.00 0.00 C ATOM 181 CG1 VAL A 15 24.799 -24.215 -11.937 1.00 0.00 C ATOM 182 CG2 VAL A 15 23.245 -22.963 -13.451 1.00 0.00 C ATOM 0 H VAL A 15 25.009 -20.941 -14.238 1.00 0.00 H new ATOM 0 HA VAL A 15 24.460 -21.501 -11.479 1.00 0.00 H new ATOM 0 HB VAL A 15 25.321 -23.297 -13.786 1.00 0.00 H new ATOM 0 HG11 VAL A 15 24.474 -25.146 -12.401 1.00 0.00 H new ATOM 0 HG12 VAL A 15 25.839 -24.310 -11.624 1.00 0.00 H new ATOM 0 HG13 VAL A 15 24.176 -24.006 -11.068 1.00 0.00 H new ATOM 0 HG21 VAL A 15 22.941 -23.911 -13.894 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.579 -22.719 -12.623 1.00 0.00 H new ATOM 0 HG23 VAL A 15 23.191 -22.177 -14.204 1.00 0.00 H new ATOM 192 N SER A 16 27.525 -21.648 -12.640 1.00 0.00 N ATOM 193 CA SER A 16 28.929 -21.766 -12.261 1.00 0.00 C ATOM 194 C SER A 16 29.276 -20.780 -11.150 1.00 0.00 C ATOM 195 O SER A 16 29.942 -21.135 -10.178 1.00 0.00 O ATOM 196 CB SER A 16 29.828 -21.523 -13.475 1.00 0.00 C ATOM 197 OG SER A 16 31.190 -21.446 -13.092 1.00 0.00 O ATOM 0 H SER A 16 27.372 -21.355 -13.605 1.00 0.00 H new ATOM 0 HA SER A 16 29.097 -22.777 -11.890 1.00 0.00 H new ATOM 0 HB2 SER A 16 29.695 -22.328 -14.197 1.00 0.00 H new ATOM 0 HB3 SER A 16 29.533 -20.598 -13.971 1.00 0.00 H new ATOM 0 HG SER A 16 31.745 -21.292 -13.885 1.00 0.00 H new ATOM 203 N GLU A 17 28.821 -19.541 -11.304 1.00 0.00 N ATOM 204 CA GLU A 17 29.085 -18.503 -10.314 1.00 0.00 C ATOM 205 C GLU A 17 28.499 -18.884 -8.957 1.00 0.00 C ATOM 206 O GLU A 17 28.970 -18.426 -7.916 1.00 0.00 O ATOM 207 CB GLU A 17 28.502 -17.166 -10.776 1.00 0.00 C ATOM 208 CG GLU A 17 28.972 -16.742 -12.157 1.00 0.00 C ATOM 209 CD GLU A 17 29.954 -15.587 -12.110 1.00 0.00 C ATOM 210 OE1 GLU A 17 29.675 -14.601 -11.397 1.00 0.00 O ATOM 211 OE2 GLU A 17 31.001 -15.670 -12.785 1.00 0.00 O ATOM 0 H GLU A 17 28.268 -19.231 -12.104 1.00 0.00 H new ATOM 0 HA GLU A 17 30.165 -18.403 -10.209 1.00 0.00 H new ATOM 0 HB2 GLU A 17 27.414 -17.234 -10.777 1.00 0.00 H new ATOM 0 HB3 GLU A 17 28.772 -16.393 -10.056 1.00 0.00 H new ATOM 0 HG2 GLU A 17 29.440 -17.592 -12.654 1.00 0.00 H new ATOM 0 HG3 GLU A 17 28.109 -16.456 -12.759 1.00 0.00 H new ATOM 218 N TRP A 18 27.470 -19.723 -8.978 1.00 0.00 N ATOM 219 CA TRP A 18 26.820 -20.165 -7.750 1.00 0.00 C ATOM 220 C TRP A 18 27.556 -21.353 -7.141 1.00 0.00 C ATOM 221 O TRP A 18 27.975 -21.310 -5.984 1.00 0.00 O ATOM 222 CB TRP A 18 25.363 -20.539 -8.027 1.00 0.00 C ATOM 223 CG TRP A 18 24.690 -21.208 -6.866 1.00 0.00 C ATOM 224 CD1 TRP A 18 24.516 -20.694 -5.613 1.00 0.00 C ATOM 225 CD2 TRP A 18 24.104 -22.514 -6.851 1.00 0.00 C ATOM 226 NE1 TRP A 18 23.857 -21.602 -4.819 1.00 0.00 N ATOM 227 CE2 TRP A 18 23.593 -22.726 -5.556 1.00 0.00 C ATOM 228 CE3 TRP A 18 23.960 -23.524 -7.806 1.00 0.00 C ATOM 229 CZ2 TRP A 18 22.950 -23.907 -5.194 1.00 0.00 C ATOM 230 CZ3 TRP A 18 23.322 -24.695 -7.445 1.00 0.00 C ATOM 231 CH2 TRP A 18 22.823 -24.879 -6.149 1.00 0.00 C ATOM 0 H TRP A 18 27.068 -20.111 -9.831 1.00 0.00 H new ATOM 0 HA TRP A 18 26.847 -19.341 -7.037 1.00 0.00 H new ATOM 0 HB2 TRP A 18 24.808 -19.638 -8.290 1.00 0.00 H new ATOM 0 HB3 TRP A 18 25.324 -21.202 -8.892 1.00 0.00 H new ATOM 0 HD1 TRP A 18 24.848 -19.717 -5.293 1.00 0.00 H new ATOM 0 HE1 TRP A 18 23.606 -21.462 -3.840 1.00 0.00 H new ATOM 0 HE3 TRP A 18 24.341 -23.392 -8.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 22.565 -24.051 -4.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 23.206 -25.483 -8.175 1.00 0.00 H new ATOM 0 HH2 TRP A 18 22.328 -25.806 -5.899 1.00 0.00 H new ATOM 242 N LEU A 19 27.710 -22.414 -7.927 1.00 0.00 N ATOM 243 CA LEU A 19 28.396 -23.615 -7.464 1.00 0.00 C ATOM 244 C LEU A 19 29.829 -23.297 -7.048 1.00 0.00 C ATOM 245 O LEU A 19 30.297 -23.751 -6.004 1.00 0.00 O ATOM 246 CB LEU A 19 28.396 -24.680 -8.562 1.00 0.00 C ATOM 247 CG LEU A 19 27.116 -25.505 -8.697 1.00 0.00 C ATOM 248 CD1 LEU A 19 27.016 -26.113 -10.087 1.00 0.00 C ATOM 249 CD2 LEU A 19 27.067 -26.592 -7.633 1.00 0.00 C ATOM 0 H LEU A 19 27.369 -22.466 -8.887 1.00 0.00 H new ATOM 0 HA LEU A 19 27.861 -23.998 -6.595 1.00 0.00 H new ATOM 0 HB2 LEU A 19 28.591 -24.190 -9.516 1.00 0.00 H new ATOM 0 HB3 LEU A 19 29.226 -25.362 -8.379 1.00 0.00 H new ATOM 0 HG LEU A 19 26.263 -24.842 -8.551 1.00 0.00 H new ATOM 0 HD11 LEU A 19 26.099 -26.696 -10.164 1.00 0.00 H new ATOM 0 HD12 LEU A 19 27.004 -25.317 -10.832 1.00 0.00 H new ATOM 0 HD13 LEU A 19 27.874 -26.762 -10.263 1.00 0.00 H new ATOM 0 HD21 LEU A 19 26.149 -27.169 -7.744 1.00 0.00 H new ATOM 0 HD22 LEU A 19 27.927 -27.252 -7.747 1.00 0.00 H new ATOM 0 HD23 LEU A 19 27.090 -26.134 -6.644 1.00 0.00 H new ATOM 261 N GLU A 20 30.519 -22.514 -7.871 1.00 0.00 N ATOM 262 CA GLU A 20 31.898 -22.135 -7.587 1.00 0.00 C ATOM 263 C GLU A 20 32.024 -21.555 -6.181 1.00 0.00 C ATOM 264 O GLU A 20 33.067 -21.679 -5.538 1.00 0.00 O ATOM 265 CB GLU A 20 32.393 -21.117 -8.616 1.00 0.00 C ATOM 266 CG GLU A 20 31.792 -19.732 -8.441 1.00 0.00 C ATOM 267 CD GLU A 20 32.571 -18.878 -7.460 1.00 0.00 C ATOM 268 OE1 GLU A 20 33.815 -18.844 -7.559 1.00 0.00 O ATOM 269 OE2 GLU A 20 31.935 -18.242 -6.593 1.00 0.00 O ATOM 0 H GLU A 20 30.146 -22.130 -8.739 1.00 0.00 H new ATOM 0 HA GLU A 20 32.514 -23.032 -7.648 1.00 0.00 H new ATOM 0 HB2 GLU A 20 33.478 -21.044 -8.549 1.00 0.00 H new ATOM 0 HB3 GLU A 20 32.159 -21.481 -9.616 1.00 0.00 H new ATOM 0 HG2 GLU A 20 31.759 -19.230 -9.408 1.00 0.00 H new ATOM 0 HG3 GLU A 20 30.762 -19.828 -8.096 1.00 0.00 H new ATOM 276 N SER A 21 30.955 -20.921 -5.710 1.00 0.00 N ATOM 277 CA SER A 21 30.946 -20.318 -4.382 1.00 0.00 C ATOM 278 C SER A 21 31.054 -21.387 -3.299 1.00 0.00 C ATOM 279 O SER A 21 31.723 -21.193 -2.284 1.00 0.00 O ATOM 280 CB SER A 21 29.671 -19.497 -4.180 1.00 0.00 C ATOM 281 OG SER A 21 29.310 -18.815 -5.369 1.00 0.00 O ATOM 0 H SER A 21 30.083 -20.811 -6.228 1.00 0.00 H new ATOM 0 HA SER A 21 31.810 -19.658 -4.304 1.00 0.00 H new ATOM 0 HB2 SER A 21 28.857 -20.153 -3.872 1.00 0.00 H new ATOM 0 HB3 SER A 21 29.822 -18.777 -3.376 1.00 0.00 H new ATOM 0 HG SER A 21 30.120 -18.542 -5.849 1.00 0.00 H new ATOM 287 N ILE A 22 30.390 -22.516 -3.524 1.00 0.00 N ATOM 288 CA ILE A 22 30.411 -23.617 -2.568 1.00 0.00 C ATOM 289 C ILE A 22 31.422 -24.682 -2.978 1.00 0.00 C ATOM 290 O ILE A 22 31.322 -25.839 -2.572 1.00 0.00 O ATOM 291 CB ILE A 22 29.022 -24.270 -2.431 1.00 0.00 C ATOM 292 CG1 ILE A 22 28.504 -24.710 -3.802 1.00 0.00 C ATOM 293 CG2 ILE A 22 28.046 -23.305 -1.774 1.00 0.00 C ATOM 294 CD1 ILE A 22 27.189 -25.455 -3.739 1.00 0.00 C ATOM 0 H ILE A 22 29.831 -22.692 -4.359 1.00 0.00 H new ATOM 0 HA ILE A 22 30.702 -23.194 -1.606 1.00 0.00 H new ATOM 0 HB ILE A 22 29.112 -25.152 -1.797 1.00 0.00 H new ATOM 0 HG12 ILE A 22 28.385 -23.831 -4.436 1.00 0.00 H new ATOM 0 HG13 ILE A 22 29.251 -25.346 -4.277 1.00 0.00 H new ATOM 0 HG21 ILE A 22 27.069 -23.780 -1.684 1.00 0.00 H new ATOM 0 HG22 ILE A 22 28.411 -23.036 -0.783 1.00 0.00 H new ATOM 0 HG23 ILE A 22 27.957 -22.406 -2.384 1.00 0.00 H new ATOM 0 HD11 ILE A 22 26.882 -25.736 -4.746 1.00 0.00 H new ATOM 0 HD12 ILE A 22 27.308 -26.352 -3.132 1.00 0.00 H new ATOM 0 HD13 ILE A 22 26.429 -24.814 -3.293 1.00 0.00 H new ATOM 306 N LYS A 23 32.399 -24.282 -3.786 1.00 0.00 N ATOM 307 CA LYS A 23 33.433 -25.200 -4.249 1.00 0.00 C ATOM 308 C LYS A 23 32.814 -26.454 -4.857 1.00 0.00 C ATOM 309 O LYS A 23 33.283 -27.567 -4.619 1.00 0.00 O ATOM 310 CB LYS A 23 34.359 -25.584 -3.093 1.00 0.00 C ATOM 311 CG LYS A 23 35.338 -24.488 -2.708 1.00 0.00 C ATOM 312 CD LYS A 23 36.368 -24.252 -3.800 1.00 0.00 C ATOM 313 CE LYS A 23 37.516 -23.386 -3.304 1.00 0.00 C ATOM 314 NZ LYS A 23 38.376 -22.911 -4.424 1.00 0.00 N ATOM 0 H LYS A 23 32.496 -23.328 -4.134 1.00 0.00 H new ATOM 0 HA LYS A 23 34.015 -24.693 -5.019 1.00 0.00 H new ATOM 0 HB2 LYS A 23 33.754 -25.841 -2.224 1.00 0.00 H new ATOM 0 HB3 LYS A 23 34.918 -26.479 -3.368 1.00 0.00 H new ATOM 0 HG2 LYS A 23 34.793 -23.564 -2.514 1.00 0.00 H new ATOM 0 HG3 LYS A 23 35.844 -24.760 -1.782 1.00 0.00 H new ATOM 0 HD2 LYS A 23 36.757 -25.209 -4.148 1.00 0.00 H new ATOM 0 HD3 LYS A 23 35.891 -23.772 -4.654 1.00 0.00 H new ATOM 0 HE2 LYS A 23 37.116 -22.528 -2.764 1.00 0.00 H new ATOM 0 HE3 LYS A 23 38.121 -23.954 -2.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 39.147 -22.324 -4.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 38.778 -23.729 -4.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 37.805 -22.347 -5.085 1.00 0.00 H new ATOM 328 N MET A 24 31.759 -26.267 -5.643 1.00 0.00 N ATOM 329 CA MET A 24 31.078 -27.384 -6.287 1.00 0.00 C ATOM 330 C MET A 24 30.889 -27.120 -7.778 1.00 0.00 C ATOM 331 O MET A 24 29.909 -27.563 -8.376 1.00 0.00 O ATOM 332 CB MET A 24 29.721 -27.632 -5.625 1.00 0.00 C ATOM 333 CG MET A 24 29.820 -28.000 -4.154 1.00 0.00 C ATOM 334 SD MET A 24 29.586 -29.764 -3.862 1.00 0.00 S ATOM 335 CE MET A 24 31.239 -30.248 -3.371 1.00 0.00 C ATOM 0 H MET A 24 31.357 -25.352 -5.849 1.00 0.00 H new ATOM 0 HA MET A 24 31.699 -28.272 -6.170 1.00 0.00 H new ATOM 0 HB2 MET A 24 29.108 -26.737 -5.726 1.00 0.00 H new ATOM 0 HB3 MET A 24 29.207 -28.432 -6.157 1.00 0.00 H new ATOM 0 HG2 MET A 24 30.796 -27.699 -3.773 1.00 0.00 H new ATOM 0 HG3 MET A 24 29.072 -27.440 -3.592 1.00 0.00 H new ATOM 0 HE1 MET A 24 31.495 -31.197 -3.842 1.00 0.00 H new ATOM 0 HE2 MET A 24 31.950 -29.483 -3.684 1.00 0.00 H new ATOM 0 HE3 MET A 24 31.279 -30.359 -2.287 1.00 0.00 H new ATOM 345 N GLN A 25 31.833 -26.395 -8.370 1.00 0.00 N ATOM 346 CA GLN A 25 31.769 -26.072 -9.790 1.00 0.00 C ATOM 347 C GLN A 25 31.895 -27.331 -10.641 1.00 0.00 C ATOM 348 O GLN A 25 31.324 -27.415 -11.728 1.00 0.00 O ATOM 349 CB GLN A 25 32.873 -25.080 -10.159 1.00 0.00 C ATOM 350 CG GLN A 25 34.263 -25.535 -9.745 1.00 0.00 C ATOM 351 CD GLN A 25 35.349 -24.580 -10.200 1.00 0.00 C ATOM 352 OE1 GLN A 25 35.675 -24.511 -11.385 1.00 0.00 O ATOM 353 NE2 GLN A 25 35.916 -23.836 -9.257 1.00 0.00 N ATOM 0 H GLN A 25 32.650 -26.021 -7.888 1.00 0.00 H new ATOM 0 HA GLN A 25 30.799 -25.616 -9.990 1.00 0.00 H new ATOM 0 HB2 GLN A 25 32.859 -24.918 -11.237 1.00 0.00 H new ATOM 0 HB3 GLN A 25 32.659 -24.120 -9.689 1.00 0.00 H new ATOM 0 HG2 GLN A 25 34.301 -25.632 -8.660 1.00 0.00 H new ATOM 0 HG3 GLN A 25 34.456 -26.524 -10.161 1.00 0.00 H new ATOM 0 HE21 GLN A 25 35.615 -23.926 -8.287 1.00 0.00 H new ATOM 0 HE22 GLN A 25 36.653 -23.175 -9.503 1.00 0.00 H new ATOM 362 N GLN A 26 32.645 -28.306 -10.139 1.00 0.00 N ATOM 363 CA GLN A 26 32.846 -29.560 -10.855 1.00 0.00 C ATOM 364 C GLN A 26 31.513 -30.246 -11.136 1.00 0.00 C ATOM 365 O GLN A 26 31.389 -31.017 -12.089 1.00 0.00 O ATOM 366 CB GLN A 26 33.753 -30.492 -10.049 1.00 0.00 C ATOM 367 CG GLN A 26 33.081 -31.081 -8.819 1.00 0.00 C ATOM 368 CD GLN A 26 34.059 -31.349 -7.692 1.00 0.00 C ATOM 369 OE1 GLN A 26 35.240 -31.015 -7.787 1.00 0.00 O ATOM 370 NE2 GLN A 26 33.570 -31.955 -6.616 1.00 0.00 N ATOM 0 H GLN A 26 33.123 -28.252 -9.240 1.00 0.00 H new ATOM 0 HA GLN A 26 33.325 -29.333 -11.808 1.00 0.00 H new ATOM 0 HB2 GLN A 26 34.089 -31.304 -10.693 1.00 0.00 H new ATOM 0 HB3 GLN A 26 34.642 -29.942 -9.739 1.00 0.00 H new ATOM 0 HG2 GLN A 26 32.308 -30.397 -8.469 1.00 0.00 H new ATOM 0 HG3 GLN A 26 32.583 -32.011 -9.092 1.00 0.00 H new ATOM 0 HE21 GLN A 26 32.584 -32.214 -6.580 1.00 0.00 H new ATOM 0 HE22 GLN A 26 34.180 -32.161 -5.825 1.00 0.00 H new ATOM 379 N TYR A 27 30.520 -29.962 -10.302 1.00 0.00 N ATOM 380 CA TYR A 27 29.196 -30.553 -10.460 1.00 0.00 C ATOM 381 C TYR A 27 28.369 -29.774 -11.478 1.00 0.00 C ATOM 382 O TYR A 27 27.335 -30.249 -11.949 1.00 0.00 O ATOM 383 CB TYR A 27 28.468 -30.591 -9.115 1.00 0.00 C ATOM 384 CG TYR A 27 28.858 -31.766 -8.248 1.00 0.00 C ATOM 385 CD1 TYR A 27 28.837 -33.062 -8.749 1.00 0.00 C ATOM 386 CD2 TYR A 27 29.247 -31.581 -6.927 1.00 0.00 C ATOM 387 CE1 TYR A 27 29.192 -34.139 -7.959 1.00 0.00 C ATOM 388 CE2 TYR A 27 29.605 -32.651 -6.131 1.00 0.00 C ATOM 389 CZ TYR A 27 29.576 -33.928 -6.652 1.00 0.00 C ATOM 390 OH TYR A 27 29.930 -34.998 -5.861 1.00 0.00 O ATOM 0 H TYR A 27 30.606 -29.326 -9.509 1.00 0.00 H new ATOM 0 HA TYR A 27 29.322 -31.572 -10.826 1.00 0.00 H new ATOM 0 HB2 TYR A 27 28.673 -29.667 -8.574 1.00 0.00 H new ATOM 0 HB3 TYR A 27 27.393 -30.623 -9.294 1.00 0.00 H new ATOM 0 HD1 TYR A 27 28.538 -33.230 -9.773 1.00 0.00 H new ATOM 0 HD2 TYR A 27 29.270 -30.583 -6.516 1.00 0.00 H new ATOM 0 HE1 TYR A 27 29.169 -35.140 -8.363 1.00 0.00 H new ATOM 0 HE2 TYR A 27 29.906 -32.489 -5.106 1.00 0.00 H new ATOM 0 HH TYR A 27 30.176 -34.678 -4.968 1.00 0.00 H new ATOM 400 N THR A 28 28.832 -28.574 -11.813 1.00 0.00 N ATOM 401 CA THR A 28 28.137 -27.728 -12.775 1.00 0.00 C ATOM 402 C THR A 28 27.840 -28.488 -14.063 1.00 0.00 C ATOM 403 O THR A 28 26.740 -28.399 -14.606 1.00 0.00 O ATOM 404 CB THR A 28 28.957 -26.469 -13.112 1.00 0.00 C ATOM 405 OG1 THR A 28 29.232 -25.729 -11.917 1.00 0.00 O ATOM 406 CG2 THR A 28 28.213 -25.586 -14.102 1.00 0.00 C ATOM 0 H THR A 28 29.686 -28.166 -11.432 1.00 0.00 H new ATOM 0 HA THR A 28 27.198 -27.427 -12.310 1.00 0.00 H new ATOM 0 HB THR A 28 29.896 -26.785 -13.567 1.00 0.00 H new ATOM 0 HG1 THR A 28 29.755 -24.931 -12.140 1.00 0.00 H new ATOM 0 HG21 THR A 28 28.813 -24.703 -14.324 1.00 0.00 H new ATOM 0 HG22 THR A 28 28.032 -26.143 -15.022 1.00 0.00 H new ATOM 0 HG23 THR A 28 27.260 -25.278 -13.671 1.00 0.00 H new ATOM 414 N GLU A 29 28.829 -29.234 -14.545 1.00 0.00 N ATOM 415 CA GLU A 29 28.672 -30.010 -15.770 1.00 0.00 C ATOM 416 C GLU A 29 27.501 -30.981 -15.653 1.00 0.00 C ATOM 417 O GLU A 29 26.860 -31.321 -16.648 1.00 0.00 O ATOM 418 CB GLU A 29 29.957 -30.779 -16.081 1.00 0.00 C ATOM 419 CG GLU A 29 31.188 -29.894 -16.178 1.00 0.00 C ATOM 420 CD GLU A 29 32.281 -30.305 -15.209 1.00 0.00 C ATOM 421 OE1 GLU A 29 32.469 -31.524 -15.011 1.00 0.00 O ATOM 422 OE2 GLU A 29 32.947 -29.409 -14.650 1.00 0.00 O ATOM 0 H GLU A 29 29.746 -29.318 -14.107 1.00 0.00 H new ATOM 0 HA GLU A 29 28.466 -29.316 -16.585 1.00 0.00 H new ATOM 0 HB2 GLU A 29 30.119 -31.528 -15.306 1.00 0.00 H new ATOM 0 HB3 GLU A 29 29.831 -31.316 -17.021 1.00 0.00 H new ATOM 0 HG2 GLU A 29 31.577 -29.930 -17.195 1.00 0.00 H new ATOM 0 HG3 GLU A 29 30.904 -28.860 -15.982 1.00 0.00 H new ATOM 429 N HIS A 30 27.227 -31.425 -14.430 1.00 0.00 N ATOM 430 CA HIS A 30 26.133 -32.357 -14.182 1.00 0.00 C ATOM 431 C HIS A 30 24.798 -31.621 -14.110 1.00 0.00 C ATOM 432 O HIS A 30 23.800 -32.068 -14.676 1.00 0.00 O ATOM 433 CB HIS A 30 26.375 -33.127 -12.883 1.00 0.00 C ATOM 434 CG HIS A 30 27.502 -34.109 -12.971 1.00 0.00 C ATOM 435 ND1 HIS A 30 28.772 -33.764 -13.383 1.00 0.00 N ATOM 436 CD2 HIS A 30 27.545 -35.434 -12.695 1.00 0.00 C ATOM 437 CE1 HIS A 30 29.547 -34.834 -13.358 1.00 0.00 C ATOM 438 NE2 HIS A 30 28.826 -35.860 -12.944 1.00 0.00 N ATOM 0 H HIS A 30 27.748 -31.154 -13.596 1.00 0.00 H new ATOM 0 HA HIS A 30 26.095 -33.063 -15.012 1.00 0.00 H new ATOM 0 HB2 HIS A 30 26.584 -32.417 -12.083 1.00 0.00 H new ATOM 0 HB3 HIS A 30 25.463 -33.657 -12.609 1.00 0.00 H new ATOM 0 HD2 HIS A 30 26.724 -36.042 -12.344 1.00 0.00 H new ATOM 0 HE1 HIS A 30 30.592 -34.864 -13.630 1.00 0.00 H new ATOM 0 HE2 HIS A 30 29.166 -36.815 -12.828 1.00 0.00 H new ATOM 446 N PHE A 31 24.788 -30.492 -13.410 1.00 0.00 N ATOM 447 CA PHE A 31 23.575 -29.695 -13.262 1.00 0.00 C ATOM 448 C PHE A 31 22.948 -29.402 -14.622 1.00 0.00 C ATOM 449 O PHE A 31 21.729 -29.452 -14.778 1.00 0.00 O ATOM 450 CB PHE A 31 23.886 -28.384 -12.538 1.00 0.00 C ATOM 451 CG PHE A 31 23.764 -28.480 -11.044 1.00 0.00 C ATOM 452 CD1 PHE A 31 22.554 -28.229 -10.417 1.00 0.00 C ATOM 453 CD2 PHE A 31 24.858 -28.822 -10.266 1.00 0.00 C ATOM 454 CE1 PHE A 31 22.437 -28.317 -9.043 1.00 0.00 C ATOM 455 CE2 PHE A 31 24.748 -28.912 -8.892 1.00 0.00 C ATOM 456 CZ PHE A 31 23.536 -28.658 -8.279 1.00 0.00 C ATOM 0 H PHE A 31 25.606 -30.108 -12.936 1.00 0.00 H new ATOM 0 HA PHE A 31 22.863 -30.269 -12.669 1.00 0.00 H new ATOM 0 HB2 PHE A 31 24.898 -28.069 -12.792 1.00 0.00 H new ATOM 0 HB3 PHE A 31 23.211 -27.609 -12.901 1.00 0.00 H new ATOM 0 HD1 PHE A 31 21.692 -27.961 -11.010 1.00 0.00 H new ATOM 0 HD2 PHE A 31 25.808 -29.021 -10.739 1.00 0.00 H new ATOM 0 HE1 PHE A 31 21.488 -28.119 -8.567 1.00 0.00 H new ATOM 0 HE2 PHE A 31 25.609 -29.181 -8.297 1.00 0.00 H new ATOM 0 HZ PHE A 31 23.448 -28.726 -7.205 1.00 0.00 H new ATOM 466 N MET A 32 23.792 -29.096 -15.602 1.00 0.00 N ATOM 467 CA MET A 32 23.321 -28.795 -16.949 1.00 0.00 C ATOM 468 C MET A 32 22.671 -30.020 -17.584 1.00 0.00 C ATOM 469 O MET A 32 21.575 -29.937 -18.136 1.00 0.00 O ATOM 470 CB MET A 32 24.479 -28.308 -17.821 1.00 0.00 C ATOM 471 CG MET A 32 25.281 -27.180 -17.191 1.00 0.00 C ATOM 472 SD MET A 32 25.575 -25.816 -18.333 1.00 0.00 S ATOM 473 CE MET A 32 25.313 -24.410 -17.255 1.00 0.00 C ATOM 0 H MET A 32 24.805 -29.050 -15.489 1.00 0.00 H new ATOM 0 HA MET A 32 22.573 -28.005 -16.877 1.00 0.00 H new ATOM 0 HB2 MET A 32 25.145 -29.146 -18.027 1.00 0.00 H new ATOM 0 HB3 MET A 32 24.085 -27.971 -18.780 1.00 0.00 H new ATOM 0 HG2 MET A 32 24.750 -26.807 -16.315 1.00 0.00 H new ATOM 0 HG3 MET A 32 26.237 -27.570 -16.843 1.00 0.00 H new ATOM 0 HE1 MET A 32 24.571 -23.746 -17.697 1.00 0.00 H new ATOM 0 HE2 MET A 32 24.957 -24.757 -16.285 1.00 0.00 H new ATOM 0 HE3 MET A 32 26.251 -23.871 -17.126 1.00 0.00 H new ATOM 483 N ALA A 33 23.356 -31.157 -17.503 1.00 0.00 N ATOM 484 CA ALA A 33 22.845 -32.399 -18.068 1.00 0.00 C ATOM 485 C ALA A 33 21.446 -32.705 -17.545 1.00 0.00 C ATOM 486 O ALA A 33 20.626 -33.297 -18.247 1.00 0.00 O ATOM 487 CB ALA A 33 23.791 -33.549 -17.756 1.00 0.00 C ATOM 0 H ALA A 33 24.266 -31.243 -17.051 1.00 0.00 H new ATOM 0 HA ALA A 33 22.782 -32.279 -19.149 1.00 0.00 H new ATOM 0 HB1 ALA A 33 23.397 -34.471 -18.184 1.00 0.00 H new ATOM 0 HB2 ALA A 33 24.771 -33.340 -18.184 1.00 0.00 H new ATOM 0 HB3 ALA A 33 23.884 -33.661 -16.676 1.00 0.00 H new ATOM 493 N ALA A 34 21.179 -32.299 -16.308 1.00 0.00 N ATOM 494 CA ALA A 34 19.879 -32.530 -15.691 1.00 0.00 C ATOM 495 C ALA A 34 18.867 -31.478 -16.135 1.00 0.00 C ATOM 496 O ALA A 34 17.661 -31.718 -16.120 1.00 0.00 O ATOM 497 CB ALA A 34 20.007 -32.535 -14.175 1.00 0.00 C ATOM 0 H ALA A 34 21.847 -31.808 -15.713 1.00 0.00 H new ATOM 0 HA ALA A 34 19.518 -33.505 -16.017 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.028 -32.709 -13.728 1.00 0.00 H new ATOM 0 HB2 ALA A 34 20.691 -33.327 -13.870 1.00 0.00 H new ATOM 0 HB3 ALA A 34 20.394 -31.573 -13.839 1.00 0.00 H new ATOM 503 N GLY A 35 19.368 -30.311 -16.529 1.00 0.00 N ATOM 504 CA GLY A 35 18.493 -29.240 -16.970 1.00 0.00 C ATOM 505 C GLY A 35 18.492 -28.062 -16.016 1.00 0.00 C ATOM 506 O GLY A 35 17.461 -27.422 -15.810 1.00 0.00 O ATOM 0 H GLY A 35 20.363 -30.088 -16.551 1.00 0.00 H new ATOM 0 HA2 GLY A 35 18.806 -28.903 -17.958 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.477 -29.623 -17.071 1.00 0.00 H new ATOM 510 N TYR A 36 19.650 -27.776 -15.431 1.00 0.00 N ATOM 511 CA TYR A 36 19.778 -26.669 -14.490 1.00 0.00 C ATOM 512 C TYR A 36 20.866 -25.698 -14.936 1.00 0.00 C ATOM 513 O TYR A 36 21.762 -25.353 -14.164 1.00 0.00 O ATOM 514 CB TYR A 36 20.092 -27.197 -13.090 1.00 0.00 C ATOM 515 CG TYR A 36 19.095 -28.218 -12.589 1.00 0.00 C ATOM 516 CD1 TYR A 36 17.729 -28.021 -12.753 1.00 0.00 C ATOM 517 CD2 TYR A 36 19.518 -29.378 -11.952 1.00 0.00 C ATOM 518 CE1 TYR A 36 16.814 -28.950 -12.297 1.00 0.00 C ATOM 519 CE2 TYR A 36 18.610 -30.313 -11.495 1.00 0.00 C ATOM 520 CZ TYR A 36 17.259 -30.095 -11.669 1.00 0.00 C ATOM 521 OH TYR A 36 16.352 -31.023 -11.213 1.00 0.00 O ATOM 0 H TYR A 36 20.513 -28.295 -15.592 1.00 0.00 H new ATOM 0 HA TYR A 36 18.828 -26.135 -14.465 1.00 0.00 H new ATOM 0 HB2 TYR A 36 21.086 -27.644 -13.094 1.00 0.00 H new ATOM 0 HB3 TYR A 36 20.122 -26.359 -12.393 1.00 0.00 H new ATOM 0 HD1 TYR A 36 17.377 -27.126 -13.245 1.00 0.00 H new ATOM 0 HD2 TYR A 36 20.575 -29.552 -11.812 1.00 0.00 H new ATOM 0 HE1 TYR A 36 15.756 -28.781 -12.431 1.00 0.00 H new ATOM 0 HE2 TYR A 36 18.956 -31.210 -11.004 1.00 0.00 H new ATOM 0 HH TYR A 36 16.754 -31.916 -11.244 1.00 0.00 H new ATOM 531 N THR A 37 20.783 -25.259 -16.188 1.00 0.00 N ATOM 532 CA THR A 37 21.759 -24.328 -16.739 1.00 0.00 C ATOM 533 C THR A 37 21.512 -22.911 -16.236 1.00 0.00 C ATOM 534 O THR A 37 22.428 -22.090 -16.189 1.00 0.00 O ATOM 535 CB THR A 37 21.728 -24.327 -18.279 1.00 0.00 C ATOM 536 OG1 THR A 37 20.549 -23.661 -18.745 1.00 0.00 O ATOM 537 CG2 THR A 37 21.762 -25.748 -18.822 1.00 0.00 C ATOM 0 H THR A 37 20.049 -25.534 -16.840 1.00 0.00 H new ATOM 0 HA THR A 37 22.740 -24.664 -16.403 1.00 0.00 H new ATOM 0 HB THR A 37 22.610 -23.797 -18.638 1.00 0.00 H new ATOM 0 HG1 THR A 37 20.538 -23.663 -19.725 1.00 0.00 H new ATOM 0 HG21 THR A 37 21.739 -25.722 -19.911 1.00 0.00 H new ATOM 0 HG22 THR A 37 22.675 -26.243 -18.490 1.00 0.00 H new ATOM 0 HG23 THR A 37 20.896 -26.299 -18.454 1.00 0.00 H new ATOM 545 N ALA A 38 20.269 -22.629 -15.861 1.00 0.00 N ATOM 546 CA ALA A 38 19.902 -21.311 -15.359 1.00 0.00 C ATOM 547 C ALA A 38 19.455 -21.383 -13.903 1.00 0.00 C ATOM 548 O ALA A 38 18.913 -22.396 -13.459 1.00 0.00 O ATOM 549 CB ALA A 38 18.804 -20.705 -16.220 1.00 0.00 C ATOM 0 H ALA A 38 19.498 -23.296 -15.895 1.00 0.00 H new ATOM 0 HA ALA A 38 20.783 -20.672 -15.410 1.00 0.00 H new ATOM 0 HB1 ALA A 38 18.540 -19.721 -15.833 1.00 0.00 H new ATOM 0 HB2 ALA A 38 19.158 -20.609 -17.246 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.926 -21.351 -16.198 1.00 0.00 H new ATOM 555 N ILE A 39 19.687 -20.303 -13.164 1.00 0.00 N ATOM 556 CA ILE A 39 19.308 -20.245 -11.757 1.00 0.00 C ATOM 557 C ILE A 39 17.795 -20.339 -11.592 1.00 0.00 C ATOM 558 O ILE A 39 17.300 -20.763 -10.548 1.00 0.00 O ATOM 559 CB ILE A 39 19.806 -18.948 -11.093 1.00 0.00 C ATOM 560 CG1 ILE A 39 21.312 -18.785 -11.308 1.00 0.00 C ATOM 561 CG2 ILE A 39 19.474 -18.951 -9.609 1.00 0.00 C ATOM 562 CD1 ILE A 39 22.131 -19.911 -10.718 1.00 0.00 C ATOM 0 H ILE A 39 20.135 -19.457 -13.516 1.00 0.00 H new ATOM 0 HA ILE A 39 19.779 -21.098 -11.267 1.00 0.00 H new ATOM 0 HB ILE A 39 19.298 -18.102 -11.556 1.00 0.00 H new ATOM 0 HG12 ILE A 39 21.514 -18.721 -12.377 1.00 0.00 H new ATOM 0 HG13 ILE A 39 21.634 -17.842 -10.866 1.00 0.00 H new ATOM 0 HG21 ILE A 39 19.833 -18.028 -9.154 1.00 0.00 H new ATOM 0 HG22 ILE A 39 18.394 -19.025 -9.478 1.00 0.00 H new ATOM 0 HG23 ILE A 39 19.957 -19.803 -9.130 1.00 0.00 H new ATOM 0 HD11 ILE A 39 23.189 -19.730 -10.908 1.00 0.00 H new ATOM 0 HD12 ILE A 39 21.959 -19.962 -9.643 1.00 0.00 H new ATOM 0 HD13 ILE A 39 21.836 -20.855 -11.177 1.00 0.00 H new ATOM 574 N GLU A 40 17.065 -19.943 -12.630 1.00 0.00 N ATOM 575 CA GLU A 40 15.608 -19.984 -12.600 1.00 0.00 C ATOM 576 C GLU A 40 15.109 -21.408 -12.371 1.00 0.00 C ATOM 577 O GLU A 40 14.069 -21.621 -11.747 1.00 0.00 O ATOM 578 CB GLU A 40 15.032 -19.434 -13.906 1.00 0.00 C ATOM 579 CG GLU A 40 15.661 -18.122 -14.343 1.00 0.00 C ATOM 580 CD GLU A 40 14.763 -17.324 -15.269 1.00 0.00 C ATOM 581 OE1 GLU A 40 13.893 -16.586 -14.760 1.00 0.00 O ATOM 582 OE2 GLU A 40 14.930 -17.438 -16.501 1.00 0.00 O ATOM 0 H GLU A 40 17.459 -19.590 -13.502 1.00 0.00 H new ATOM 0 HA GLU A 40 15.270 -19.361 -11.772 1.00 0.00 H new ATOM 0 HB2 GLU A 40 15.170 -20.174 -14.694 1.00 0.00 H new ATOM 0 HB3 GLU A 40 13.958 -19.291 -13.788 1.00 0.00 H new ATOM 0 HG2 GLU A 40 15.892 -17.523 -13.462 1.00 0.00 H new ATOM 0 HG3 GLU A 40 16.606 -18.326 -14.846 1.00 0.00 H new ATOM 589 N LYS A 41 15.857 -22.380 -12.882 1.00 0.00 N ATOM 590 CA LYS A 41 15.493 -23.785 -12.734 1.00 0.00 C ATOM 591 C LYS A 41 16.230 -24.417 -11.558 1.00 0.00 C ATOM 592 O LYS A 41 15.706 -25.310 -10.892 1.00 0.00 O ATOM 593 CB LYS A 41 15.808 -24.552 -14.020 1.00 0.00 C ATOM 594 CG LYS A 41 15.140 -23.973 -15.254 1.00 0.00 C ATOM 595 CD LYS A 41 16.162 -23.550 -16.296 1.00 0.00 C ATOM 596 CE LYS A 41 15.629 -22.432 -17.179 1.00 0.00 C ATOM 597 NZ LYS A 41 14.523 -22.900 -18.059 1.00 0.00 N ATOM 0 H LYS A 41 16.720 -22.221 -13.403 1.00 0.00 H new ATOM 0 HA LYS A 41 14.422 -23.839 -12.539 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.887 -24.561 -14.172 1.00 0.00 H new ATOM 0 HB3 LYS A 41 15.494 -25.589 -13.900 1.00 0.00 H new ATOM 0 HG2 LYS A 41 14.465 -24.713 -15.684 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.532 -23.114 -14.970 1.00 0.00 H new ATOM 0 HD2 LYS A 41 17.074 -23.219 -15.799 1.00 0.00 H new ATOM 0 HD3 LYS A 41 16.429 -24.407 -16.914 1.00 0.00 H new ATOM 0 HE2 LYS A 41 15.274 -21.613 -16.553 1.00 0.00 H new ATOM 0 HE3 LYS A 41 16.439 -22.036 -17.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.187 -22.109 -18.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.868 -23.664 -18.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.740 -23.254 -17.474 1.00 0.00 H new ATOM 611 N VAL A 42 17.447 -23.947 -11.306 1.00 0.00 N ATOM 612 CA VAL A 42 18.255 -24.465 -10.209 1.00 0.00 C ATOM 613 C VAL A 42 17.537 -24.303 -8.874 1.00 0.00 C ATOM 614 O VAL A 42 17.813 -25.025 -7.916 1.00 0.00 O ATOM 615 CB VAL A 42 19.621 -23.756 -10.133 1.00 0.00 C ATOM 616 CG1 VAL A 42 20.434 -24.286 -8.962 1.00 0.00 C ATOM 617 CG2 VAL A 42 20.381 -23.925 -11.440 1.00 0.00 C ATOM 0 H VAL A 42 17.895 -23.208 -11.847 1.00 0.00 H new ATOM 0 HA VAL A 42 18.415 -25.525 -10.407 1.00 0.00 H new ATOM 0 HB VAL A 42 19.450 -22.691 -9.973 1.00 0.00 H new ATOM 0 HG11 VAL A 42 21.395 -23.773 -8.925 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.892 -24.109 -8.033 1.00 0.00 H new ATOM 0 HG13 VAL A 42 20.598 -25.356 -9.088 1.00 0.00 H new ATOM 0 HG21 VAL A 42 21.343 -23.418 -11.369 1.00 0.00 H new ATOM 0 HG22 VAL A 42 20.543 -24.986 -11.632 1.00 0.00 H new ATOM 0 HG23 VAL A 42 19.802 -23.492 -12.256 1.00 0.00 H new ATOM 627 N VAL A 43 16.612 -23.349 -8.817 1.00 0.00 N ATOM 628 CA VAL A 43 15.852 -23.093 -7.600 1.00 0.00 C ATOM 629 C VAL A 43 14.622 -23.991 -7.521 1.00 0.00 C ATOM 630 O VAL A 43 14.114 -24.268 -6.435 1.00 0.00 O ATOM 631 CB VAL A 43 15.405 -21.621 -7.517 1.00 0.00 C ATOM 632 CG1 VAL A 43 16.613 -20.698 -7.479 1.00 0.00 C ATOM 633 CG2 VAL A 43 14.495 -21.274 -8.685 1.00 0.00 C ATOM 0 H VAL A 43 16.372 -22.741 -9.600 1.00 0.00 H new ATOM 0 HA VAL A 43 16.513 -23.312 -6.762 1.00 0.00 H new ATOM 0 HB VAL A 43 14.842 -21.482 -6.594 1.00 0.00 H new ATOM 0 HG11 VAL A 43 16.278 -19.662 -7.420 1.00 0.00 H new ATOM 0 HG12 VAL A 43 17.222 -20.932 -6.606 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.206 -20.837 -8.383 1.00 0.00 H new ATOM 0 HG21 VAL A 43 14.189 -20.231 -8.610 1.00 0.00 H new ATOM 0 HG22 VAL A 43 15.030 -21.429 -9.622 1.00 0.00 H new ATOM 0 HG23 VAL A 43 13.613 -21.914 -8.661 1.00 0.00 H new ATOM 643 N GLN A 44 14.151 -24.443 -8.678 1.00 0.00 N ATOM 644 CA GLN A 44 12.980 -25.310 -8.739 1.00 0.00 C ATOM 645 C GLN A 44 13.323 -26.721 -8.272 1.00 0.00 C ATOM 646 O GLN A 44 12.528 -27.371 -7.595 1.00 0.00 O ATOM 647 CB GLN A 44 12.424 -25.352 -10.164 1.00 0.00 C ATOM 648 CG GLN A 44 12.015 -23.989 -10.698 1.00 0.00 C ATOM 649 CD GLN A 44 11.038 -24.084 -11.853 1.00 0.00 C ATOM 650 OE1 GLN A 44 10.909 -25.132 -12.488 1.00 0.00 O ATOM 651 NE2 GLN A 44 10.342 -22.988 -12.132 1.00 0.00 N ATOM 0 H GLN A 44 14.562 -24.224 -9.586 1.00 0.00 H new ATOM 0 HA GLN A 44 12.221 -24.901 -8.073 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.176 -25.782 -10.826 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.560 -26.017 -10.189 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.565 -23.408 -9.893 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.904 -23.448 -11.023 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.481 -22.142 -11.580 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.669 -22.993 -12.898 1.00 0.00 H new ATOM 660 N MET A 45 14.512 -27.188 -8.640 1.00 0.00 N ATOM 661 CA MET A 45 14.960 -28.522 -8.257 1.00 0.00 C ATOM 662 C MET A 45 14.846 -28.722 -6.750 1.00 0.00 C ATOM 663 O MET A 45 15.055 -27.791 -5.971 1.00 0.00 O ATOM 664 CB MET A 45 16.405 -28.746 -8.706 1.00 0.00 C ATOM 665 CG MET A 45 17.414 -27.896 -7.950 1.00 0.00 C ATOM 666 SD MET A 45 18.600 -28.887 -7.021 1.00 0.00 S ATOM 667 CE MET A 45 19.425 -29.761 -8.349 1.00 0.00 C ATOM 0 H MET A 45 15.182 -26.663 -9.202 1.00 0.00 H new ATOM 0 HA MET A 45 14.317 -29.250 -8.751 1.00 0.00 H new ATOM 0 HB2 MET A 45 16.658 -29.798 -8.576 1.00 0.00 H new ATOM 0 HB3 MET A 45 16.484 -28.528 -9.771 1.00 0.00 H new ATOM 0 HG2 MET A 45 17.950 -27.262 -8.656 1.00 0.00 H new ATOM 0 HG3 MET A 45 16.885 -27.234 -7.265 1.00 0.00 H new ATOM 0 HE1 MET A 45 20.357 -30.189 -7.979 1.00 0.00 H new ATOM 0 HE2 MET A 45 18.779 -30.559 -8.716 1.00 0.00 H new ATOM 0 HE3 MET A 45 19.642 -29.067 -9.161 1.00 0.00 H new ATOM 677 N THR A 46 14.512 -29.943 -6.343 1.00 0.00 N ATOM 678 CA THR A 46 14.369 -30.265 -4.929 1.00 0.00 C ATOM 679 C THR A 46 15.602 -30.990 -4.402 1.00 0.00 C ATOM 680 O THR A 46 16.504 -31.334 -5.165 1.00 0.00 O ATOM 681 CB THR A 46 13.126 -31.139 -4.675 1.00 0.00 C ATOM 682 OG1 THR A 46 12.893 -31.262 -3.267 1.00 0.00 O ATOM 683 CG2 THR A 46 13.301 -32.520 -5.288 1.00 0.00 C ATOM 0 H THR A 46 14.335 -30.725 -6.973 1.00 0.00 H new ATOM 0 HA THR A 46 14.254 -29.319 -4.400 1.00 0.00 H new ATOM 0 HB THR A 46 12.268 -30.657 -5.144 1.00 0.00 H new ATOM 0 HG1 THR A 46 12.100 -31.817 -3.114 1.00 0.00 H new ATOM 0 HG21 THR A 46 12.411 -33.119 -5.096 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.449 -32.425 -6.364 1.00 0.00 H new ATOM 0 HG23 THR A 46 14.169 -33.008 -4.844 1.00 0.00 H new ATOM 691 N ASN A 47 15.634 -31.221 -3.094 1.00 0.00 N ATOM 692 CA ASN A 47 16.757 -31.906 -2.465 1.00 0.00 C ATOM 693 C ASN A 47 17.060 -33.221 -3.178 1.00 0.00 C ATOM 694 O ASN A 47 18.220 -33.610 -3.319 1.00 0.00 O ATOM 695 CB ASN A 47 16.459 -32.170 -0.988 1.00 0.00 C ATOM 696 CG ASN A 47 15.865 -30.961 -0.293 1.00 0.00 C ATOM 697 OD1 ASN A 47 14.829 -31.055 0.366 1.00 0.00 O ATOM 698 ND2 ASN A 47 16.520 -29.815 -0.437 1.00 0.00 N ATOM 0 H ASN A 47 14.895 -30.944 -2.449 1.00 0.00 H new ATOM 0 HA ASN A 47 17.633 -31.261 -2.542 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.769 -33.009 -0.904 1.00 0.00 H new ATOM 0 HB3 ASN A 47 17.379 -32.462 -0.481 1.00 0.00 H new ATOM 0 HD21 ASN A 47 16.168 -28.967 0.008 1.00 0.00 H new ATOM 0 HD22 ASN A 47 17.375 -29.783 -0.992 1.00 0.00 H new ATOM 705 N ASP A 48 16.010 -33.900 -3.625 1.00 0.00 N ATOM 706 CA ASP A 48 16.163 -35.171 -4.324 1.00 0.00 C ATOM 707 C ASP A 48 16.954 -34.989 -5.615 1.00 0.00 C ATOM 708 O ASP A 48 17.847 -35.777 -5.924 1.00 0.00 O ATOM 709 CB ASP A 48 14.792 -35.776 -4.632 1.00 0.00 C ATOM 710 CG ASP A 48 14.888 -37.207 -5.124 1.00 0.00 C ATOM 711 OD1 ASP A 48 15.211 -38.094 -4.308 1.00 0.00 O ATOM 712 OD2 ASP A 48 14.641 -37.439 -6.327 1.00 0.00 O ATOM 0 H ASP A 48 15.044 -33.592 -3.516 1.00 0.00 H new ATOM 0 HA ASP A 48 16.714 -35.851 -3.674 1.00 0.00 H new ATOM 0 HB2 ASP A 48 14.174 -35.744 -3.735 1.00 0.00 H new ATOM 0 HB3 ASP A 48 14.291 -35.169 -5.386 1.00 0.00 H new ATOM 717 N ASP A 49 16.619 -33.945 -6.366 1.00 0.00 N ATOM 718 CA ASP A 49 17.298 -33.659 -7.625 1.00 0.00 C ATOM 719 C ASP A 49 18.806 -33.560 -7.418 1.00 0.00 C ATOM 720 O ASP A 49 19.589 -33.986 -8.268 1.00 0.00 O ATOM 721 CB ASP A 49 16.767 -32.359 -8.231 1.00 0.00 C ATOM 722 CG ASP A 49 15.343 -32.493 -8.733 1.00 0.00 C ATOM 723 OD1 ASP A 49 14.999 -33.571 -9.261 1.00 0.00 O ATOM 724 OD2 ASP A 49 14.572 -31.520 -8.596 1.00 0.00 O ATOM 0 H ASP A 49 15.882 -33.283 -6.125 1.00 0.00 H new ATOM 0 HA ASP A 49 17.097 -34.480 -8.313 1.00 0.00 H new ATOM 0 HB2 ASP A 49 16.812 -31.568 -7.483 1.00 0.00 H new ATOM 0 HB3 ASP A 49 17.413 -32.056 -9.055 1.00 0.00 H new ATOM 729 N VAL A 50 19.207 -32.994 -6.284 1.00 0.00 N ATOM 730 CA VAL A 50 20.621 -32.839 -5.966 1.00 0.00 C ATOM 731 C VAL A 50 21.325 -34.190 -5.917 1.00 0.00 C ATOM 732 O VAL A 50 22.543 -34.275 -6.077 1.00 0.00 O ATOM 733 CB VAL A 50 20.818 -32.121 -4.617 1.00 0.00 C ATOM 734 CG1 VAL A 50 22.297 -32.002 -4.286 1.00 0.00 C ATOM 735 CG2 VAL A 50 20.156 -30.751 -4.642 1.00 0.00 C ATOM 0 H VAL A 50 18.572 -32.635 -5.571 1.00 0.00 H new ATOM 0 HA VAL A 50 21.059 -32.233 -6.759 1.00 0.00 H new ATOM 0 HB VAL A 50 20.343 -32.715 -3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 50 22.416 -31.492 -3.330 1.00 0.00 H new ATOM 0 HG12 VAL A 50 22.737 -32.997 -4.224 1.00 0.00 H new ATOM 0 HG13 VAL A 50 22.800 -31.431 -5.067 1.00 0.00 H new ATOM 0 HG21 VAL A 50 20.305 -30.257 -3.682 1.00 0.00 H new ATOM 0 HG22 VAL A 50 20.600 -30.147 -5.433 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.088 -30.866 -4.829 1.00 0.00 H new ATOM 745 N LYS A 51 20.551 -35.247 -5.695 1.00 0.00 N ATOM 746 CA LYS A 51 21.098 -36.597 -5.626 1.00 0.00 C ATOM 747 C LYS A 51 21.054 -37.272 -6.993 1.00 0.00 C ATOM 748 O LYS A 51 21.801 -38.215 -7.254 1.00 0.00 O ATOM 749 CB LYS A 51 20.321 -37.433 -4.607 1.00 0.00 C ATOM 750 CG LYS A 51 20.382 -36.880 -3.193 1.00 0.00 C ATOM 751 CD LYS A 51 19.808 -37.862 -2.186 1.00 0.00 C ATOM 752 CE LYS A 51 20.654 -39.122 -2.091 1.00 0.00 C ATOM 753 NZ LYS A 51 21.045 -39.424 -0.686 1.00 0.00 N ATOM 0 H LYS A 51 19.541 -35.195 -5.560 1.00 0.00 H new ATOM 0 HA LYS A 51 22.138 -36.525 -5.309 1.00 0.00 H new ATOM 0 HB2 LYS A 51 19.279 -37.494 -4.919 1.00 0.00 H new ATOM 0 HB3 LYS A 51 20.715 -38.449 -4.608 1.00 0.00 H new ATOM 0 HG2 LYS A 51 21.416 -36.654 -2.934 1.00 0.00 H new ATOM 0 HG3 LYS A 51 19.829 -35.942 -3.144 1.00 0.00 H new ATOM 0 HD2 LYS A 51 19.749 -37.387 -1.206 1.00 0.00 H new ATOM 0 HD3 LYS A 51 18.790 -38.127 -2.474 1.00 0.00 H new ATOM 0 HE2 LYS A 51 20.098 -39.964 -2.502 1.00 0.00 H new ATOM 0 HE3 LYS A 51 21.550 -39.004 -2.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 21.703 -40.229 -0.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 21.509 -38.592 -0.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 20.197 -39.662 -0.133 1.00 0.00 H new ATOM 767 N ARG A 52 20.175 -36.782 -7.862 1.00 0.00 N ATOM 768 CA ARG A 52 20.035 -37.338 -9.202 1.00 0.00 C ATOM 769 C ARG A 52 21.056 -36.725 -10.155 1.00 0.00 C ATOM 770 O ARG A 52 21.582 -37.404 -11.038 1.00 0.00 O ATOM 771 CB ARG A 52 18.620 -37.098 -9.731 1.00 0.00 C ATOM 772 CG ARG A 52 18.381 -37.676 -11.117 1.00 0.00 C ATOM 773 CD ARG A 52 16.896 -37.803 -11.419 1.00 0.00 C ATOM 774 NE ARG A 52 16.234 -38.749 -10.525 1.00 0.00 N ATOM 775 CZ ARG A 52 14.928 -38.987 -10.545 1.00 0.00 C ATOM 776 NH1 ARG A 52 14.147 -38.351 -11.408 1.00 0.00 N ATOM 777 NH2 ARG A 52 14.399 -39.863 -9.699 1.00 0.00 N ATOM 0 H ARG A 52 19.550 -36.001 -7.662 1.00 0.00 H new ATOM 0 HA ARG A 52 20.217 -38.411 -9.143 1.00 0.00 H new ATOM 0 HB2 ARG A 52 17.903 -37.534 -9.036 1.00 0.00 H new ATOM 0 HB3 ARG A 52 18.428 -36.025 -9.756 1.00 0.00 H new ATOM 0 HG2 ARG A 52 18.852 -37.038 -11.865 1.00 0.00 H new ATOM 0 HG3 ARG A 52 18.853 -38.656 -11.190 1.00 0.00 H new ATOM 0 HD2 ARG A 52 16.423 -36.825 -11.327 1.00 0.00 H new ATOM 0 HD3 ARG A 52 16.762 -38.126 -12.451 1.00 0.00 H new ATOM 0 HE ARG A 52 16.806 -39.254 -9.848 1.00 0.00 H new ATOM 0 HH11 ARG A 52 14.549 -37.677 -12.059 1.00 0.00 H new ATOM 0 HH12 ARG A 52 13.144 -38.536 -11.421 1.00 0.00 H new ATOM 0 HH21 ARG A 52 14.996 -40.354 -9.033 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.396 -40.045 -9.715 1.00 0.00 H new ATOM 791 N ILE A 53 21.332 -35.438 -9.971 1.00 0.00 N ATOM 792 CA ILE A 53 22.290 -34.734 -10.814 1.00 0.00 C ATOM 793 C ILE A 53 23.616 -35.485 -10.884 1.00 0.00 C ATOM 794 O ILE A 53 24.281 -35.497 -11.919 1.00 0.00 O ATOM 795 CB ILE A 53 22.549 -33.306 -10.300 1.00 0.00 C ATOM 796 CG1 ILE A 53 22.890 -33.330 -8.809 1.00 0.00 C ATOM 797 CG2 ILE A 53 21.336 -32.423 -10.557 1.00 0.00 C ATOM 798 CD1 ILE A 53 23.183 -31.962 -8.233 1.00 0.00 C ATOM 0 H ILE A 53 20.905 -34.862 -9.245 1.00 0.00 H new ATOM 0 HA ILE A 53 21.853 -34.679 -11.811 1.00 0.00 H new ATOM 0 HB ILE A 53 23.399 -32.890 -10.841 1.00 0.00 H new ATOM 0 HG12 ILE A 53 22.059 -33.775 -8.262 1.00 0.00 H new ATOM 0 HG13 ILE A 53 23.756 -33.974 -8.653 1.00 0.00 H new ATOM 0 HG21 ILE A 53 21.534 -31.417 -10.188 1.00 0.00 H new ATOM 0 HG22 ILE A 53 21.134 -32.384 -11.628 1.00 0.00 H new ATOM 0 HG23 ILE A 53 20.470 -32.835 -10.039 1.00 0.00 H new ATOM 0 HD11 ILE A 53 23.416 -32.056 -7.172 1.00 0.00 H new ATOM 0 HD12 ILE A 53 24.033 -31.522 -8.754 1.00 0.00 H new ATOM 0 HD13 ILE A 53 22.310 -31.321 -8.357 1.00 0.00 H new ATOM 810 N GLY A 54 23.994 -36.112 -9.774 1.00 0.00 N ATOM 811 CA GLY A 54 25.238 -36.858 -9.731 1.00 0.00 C ATOM 812 C GLY A 54 25.813 -36.946 -8.331 1.00 0.00 C ATOM 813 O GLY A 54 26.409 -37.957 -7.959 1.00 0.00 O ATOM 0 H GLY A 54 23.461 -36.117 -8.904 1.00 0.00 H new ATOM 0 HA2 GLY A 54 25.068 -37.864 -10.115 1.00 0.00 H new ATOM 0 HA3 GLY A 54 25.965 -36.384 -10.390 1.00 0.00 H new ATOM 817 N VAL A 55 25.637 -35.883 -7.553 1.00 0.00 N ATOM 818 CA VAL A 55 26.144 -35.843 -6.186 1.00 0.00 C ATOM 819 C VAL A 55 25.565 -36.981 -5.352 1.00 0.00 C ATOM 820 O VAL A 55 24.350 -37.087 -5.187 1.00 0.00 O ATOM 821 CB VAL A 55 25.814 -34.502 -5.504 1.00 0.00 C ATOM 822 CG1 VAL A 55 26.520 -34.398 -4.161 1.00 0.00 C ATOM 823 CG2 VAL A 55 26.193 -33.338 -6.407 1.00 0.00 C ATOM 0 H VAL A 55 25.147 -35.038 -7.846 1.00 0.00 H new ATOM 0 HA VAL A 55 27.227 -35.955 -6.246 1.00 0.00 H new ATOM 0 HB VAL A 55 24.739 -34.459 -5.326 1.00 0.00 H new ATOM 0 HG11 VAL A 55 26.275 -33.444 -3.694 1.00 0.00 H new ATOM 0 HG12 VAL A 55 26.194 -35.213 -3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 55 27.598 -34.462 -4.311 1.00 0.00 H new ATOM 0 HG21 VAL A 55 25.953 -32.398 -5.909 1.00 0.00 H new ATOM 0 HG22 VAL A 55 27.262 -33.374 -6.618 1.00 0.00 H new ATOM 0 HG23 VAL A 55 25.636 -33.406 -7.342 1.00 0.00 H new ATOM 833 N ARG A 56 26.444 -37.829 -4.829 1.00 0.00 N ATOM 834 CA ARG A 56 26.021 -38.960 -4.012 1.00 0.00 C ATOM 835 C ARG A 56 26.592 -38.856 -2.601 1.00 0.00 C ATOM 836 O ARG A 56 26.161 -39.565 -1.691 1.00 0.00 O ATOM 837 CB ARG A 56 26.463 -40.276 -4.657 1.00 0.00 C ATOM 838 CG ARG A 56 27.948 -40.561 -4.502 1.00 0.00 C ATOM 839 CD ARG A 56 28.193 -41.762 -3.603 1.00 0.00 C ATOM 840 NE ARG A 56 28.575 -42.948 -4.365 1.00 0.00 N ATOM 841 CZ ARG A 56 28.989 -44.079 -3.806 1.00 0.00 C ATOM 842 NH1 ARG A 56 29.074 -44.178 -2.486 1.00 0.00 N ATOM 843 NH2 ARG A 56 29.319 -45.115 -4.567 1.00 0.00 N ATOM 0 H ARG A 56 27.453 -37.754 -4.956 1.00 0.00 H new ATOM 0 HA ARG A 56 24.933 -38.942 -3.947 1.00 0.00 H new ATOM 0 HB2 ARG A 56 25.896 -41.096 -4.215 1.00 0.00 H new ATOM 0 HB3 ARG A 56 26.215 -40.252 -5.718 1.00 0.00 H new ATOM 0 HG2 ARG A 56 28.389 -40.743 -5.482 1.00 0.00 H new ATOM 0 HG3 ARG A 56 28.446 -39.686 -4.086 1.00 0.00 H new ATOM 0 HD2 ARG A 56 28.978 -41.524 -2.886 1.00 0.00 H new ATOM 0 HD3 ARG A 56 27.291 -41.975 -3.029 1.00 0.00 H new ATOM 0 HE ARG A 56 28.521 -42.905 -5.383 1.00 0.00 H new ATOM 0 HH11 ARG A 56 28.821 -43.384 -1.898 1.00 0.00 H new ATOM 0 HH12 ARG A 56 29.392 -45.048 -2.059 1.00 0.00 H new ATOM 0 HH21 ARG A 56 29.255 -45.043 -5.582 1.00 0.00 H new ATOM 0 HH22 ARG A 56 29.637 -45.983 -4.136 1.00 0.00 H new ATOM 857 N LEU A 57 27.565 -37.968 -2.427 1.00 0.00 N ATOM 858 CA LEU A 57 28.196 -37.771 -1.127 1.00 0.00 C ATOM 859 C LEU A 57 27.287 -36.977 -0.194 1.00 0.00 C ATOM 860 O LEU A 57 26.422 -36.216 -0.630 1.00 0.00 O ATOM 861 CB LEU A 57 29.534 -37.046 -1.292 1.00 0.00 C ATOM 862 CG LEU A 57 30.699 -37.896 -1.799 1.00 0.00 C ATOM 863 CD1 LEU A 57 31.897 -37.018 -2.127 1.00 0.00 C ATOM 864 CD2 LEU A 57 31.076 -38.952 -0.770 1.00 0.00 C ATOM 0 H LEU A 57 27.934 -37.374 -3.169 1.00 0.00 H new ATOM 0 HA LEU A 57 28.372 -38.751 -0.685 1.00 0.00 H new ATOM 0 HB2 LEU A 57 29.391 -36.213 -1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 57 29.814 -36.619 -0.329 1.00 0.00 H new ATOM 0 HG LEU A 57 30.384 -38.402 -2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 57 32.717 -37.640 -2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 57 31.621 -36.300 -2.899 1.00 0.00 H new ATOM 0 HD13 LEU A 57 32.213 -36.484 -1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 57 31.907 -39.548 -1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 57 31.371 -38.465 0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 57 30.220 -39.600 -0.584 1.00 0.00 H new ATOM 876 N PRO A 58 27.486 -37.155 1.120 1.00 0.00 N ATOM 877 CA PRO A 58 26.695 -36.462 2.141 1.00 0.00 C ATOM 878 C PRO A 58 27.001 -34.969 2.198 1.00 0.00 C ATOM 879 O PRO A 58 26.094 -34.139 2.194 1.00 0.00 O ATOM 880 CB PRO A 58 27.121 -37.145 3.444 1.00 0.00 C ATOM 881 CG PRO A 58 28.487 -37.671 3.166 1.00 0.00 C ATOM 882 CD PRO A 58 28.498 -38.046 1.710 1.00 0.00 C ATOM 0 HA PRO A 58 25.626 -36.525 1.940 1.00 0.00 H new ATOM 0 HB2 PRO A 58 27.130 -36.441 4.276 1.00 0.00 H new ATOM 0 HB3 PRO A 58 26.435 -37.948 3.713 1.00 0.00 H new ATOM 0 HG2 PRO A 58 29.246 -36.919 3.381 1.00 0.00 H new ATOM 0 HG3 PRO A 58 28.708 -38.535 3.793 1.00 0.00 H new ATOM 0 HD2 PRO A 58 29.480 -37.891 1.263 1.00 0.00 H new ATOM 0 HD3 PRO A 58 28.243 -39.096 1.564 1.00 0.00 H new ATOM 890 N GLY A 59 28.287 -34.635 2.250 1.00 0.00 N ATOM 891 CA GLY A 59 28.690 -33.242 2.306 1.00 0.00 C ATOM 892 C GLY A 59 28.317 -32.480 1.050 1.00 0.00 C ATOM 893 O GLY A 59 27.632 -31.459 1.115 1.00 0.00 O ATOM 0 H GLY A 59 29.057 -35.304 2.254 1.00 0.00 H new ATOM 0 HA2 GLY A 59 28.223 -32.766 3.168 1.00 0.00 H new ATOM 0 HA3 GLY A 59 29.768 -33.185 2.455 1.00 0.00 H new ATOM 897 N HIS A 60 28.770 -32.975 -0.097 1.00 0.00 N ATOM 898 CA HIS A 60 28.481 -32.332 -1.375 1.00 0.00 C ATOM 899 C HIS A 60 26.984 -32.086 -1.532 1.00 0.00 C ATOM 900 O HIS A 60 26.569 -31.136 -2.195 1.00 0.00 O ATOM 901 CB HIS A 60 28.992 -33.194 -2.530 1.00 0.00 C ATOM 902 CG HIS A 60 30.479 -33.374 -2.531 1.00 0.00 C ATOM 903 ND1 HIS A 60 31.162 -33.991 -3.558 1.00 0.00 N ATOM 904 CD2 HIS A 60 31.415 -33.014 -1.622 1.00 0.00 C ATOM 905 CE1 HIS A 60 32.453 -34.003 -3.280 1.00 0.00 C ATOM 906 NE2 HIS A 60 32.633 -33.416 -2.111 1.00 0.00 N ATOM 0 H HIS A 60 29.338 -33.819 -0.168 1.00 0.00 H new ATOM 0 HA HIS A 60 28.994 -31.370 -1.395 1.00 0.00 H new ATOM 0 HB2 HIS A 60 28.516 -34.173 -2.480 1.00 0.00 H new ATOM 0 HB3 HIS A 60 28.689 -32.740 -3.473 1.00 0.00 H new ATOM 0 HD2 HIS A 60 31.237 -32.505 -0.686 1.00 0.00 H new ATOM 0 HE1 HIS A 60 33.230 -34.422 -3.903 1.00 0.00 H new ATOM 0 HE2 HIS A 60 33.531 -33.283 -1.647 1.00 0.00 H new ATOM 914 N GLN A 61 26.179 -32.947 -0.918 1.00 0.00 N ATOM 915 CA GLN A 61 24.728 -32.823 -0.992 1.00 0.00 C ATOM 916 C GLN A 61 24.237 -31.663 -0.131 1.00 0.00 C ATOM 917 O GLN A 61 23.619 -30.723 -0.632 1.00 0.00 O ATOM 918 CB GLN A 61 24.060 -34.124 -0.545 1.00 0.00 C ATOM 919 CG GLN A 61 23.872 -35.129 -1.670 1.00 0.00 C ATOM 920 CD GLN A 61 23.193 -36.403 -1.206 1.00 0.00 C ATOM 921 OE1 GLN A 61 22.426 -36.397 -0.243 1.00 0.00 O ATOM 922 NE2 GLN A 61 23.472 -37.505 -1.892 1.00 0.00 N ATOM 0 H GLN A 61 26.507 -33.738 -0.364 1.00 0.00 H new ATOM 0 HA GLN A 61 24.458 -32.622 -2.029 1.00 0.00 H new ATOM 0 HB2 GLN A 61 24.661 -34.580 0.242 1.00 0.00 H new ATOM 0 HB3 GLN A 61 23.088 -33.893 -0.109 1.00 0.00 H new ATOM 0 HG2 GLN A 61 23.279 -34.674 -2.463 1.00 0.00 H new ATOM 0 HG3 GLN A 61 24.843 -35.375 -2.099 1.00 0.00 H new ATOM 0 HE21 GLN A 61 24.114 -37.464 -2.684 1.00 0.00 H new ATOM 0 HE22 GLN A 61 23.045 -38.392 -1.627 1.00 0.00 H new ATOM 931 N LYS A 62 24.515 -31.736 1.166 1.00 0.00 N ATOM 932 CA LYS A 62 24.103 -30.693 2.097 1.00 0.00 C ATOM 933 C LYS A 62 24.661 -29.337 1.677 1.00 0.00 C ATOM 934 O LYS A 62 24.002 -28.309 1.832 1.00 0.00 O ATOM 935 CB LYS A 62 24.570 -31.032 3.515 1.00 0.00 C ATOM 936 CG LYS A 62 23.455 -31.525 4.421 1.00 0.00 C ATOM 937 CD LYS A 62 23.862 -31.476 5.884 1.00 0.00 C ATOM 938 CE LYS A 62 22.901 -30.627 6.702 1.00 0.00 C ATOM 939 NZ LYS A 62 22.930 -30.992 8.145 1.00 0.00 N ATOM 0 H LYS A 62 25.025 -32.508 1.596 1.00 0.00 H new ATOM 0 HA LYS A 62 23.014 -30.638 2.083 1.00 0.00 H new ATOM 0 HB2 LYS A 62 25.346 -31.795 3.460 1.00 0.00 H new ATOM 0 HB3 LYS A 62 25.024 -30.147 3.960 1.00 0.00 H new ATOM 0 HG2 LYS A 62 22.565 -30.914 4.269 1.00 0.00 H new ATOM 0 HG3 LYS A 62 23.190 -32.547 4.150 1.00 0.00 H new ATOM 0 HD2 LYS A 62 23.890 -32.488 6.289 1.00 0.00 H new ATOM 0 HD3 LYS A 62 24.870 -31.070 5.969 1.00 0.00 H new ATOM 0 HE2 LYS A 62 23.159 -29.574 6.588 1.00 0.00 H new ATOM 0 HE3 LYS A 62 21.889 -30.750 6.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 22.262 -30.391 8.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 22.659 -31.990 8.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 23.890 -30.850 8.520 1.00 0.00 H new ATOM 953 N ARG A 63 25.879 -29.343 1.145 1.00 0.00 N ATOM 954 CA ARG A 63 26.525 -28.113 0.703 1.00 0.00 C ATOM 955 C ARG A 63 25.661 -27.382 -0.320 1.00 0.00 C ATOM 956 O ARG A 63 25.430 -26.178 -0.205 1.00 0.00 O ATOM 957 CB ARG A 63 27.897 -28.421 0.100 1.00 0.00 C ATOM 958 CG ARG A 63 28.918 -27.314 0.311 1.00 0.00 C ATOM 959 CD ARG A 63 30.340 -27.833 0.166 1.00 0.00 C ATOM 960 NE ARG A 63 31.316 -26.930 0.769 1.00 0.00 N ATOM 961 CZ ARG A 63 31.567 -26.884 2.073 1.00 0.00 C ATOM 962 NH1 ARG A 63 30.917 -27.685 2.905 1.00 0.00 N ATOM 963 NH2 ARG A 63 32.470 -26.034 2.546 1.00 0.00 N ATOM 0 H ARG A 63 26.438 -30.185 1.010 1.00 0.00 H new ATOM 0 HA ARG A 63 26.654 -27.467 1.572 1.00 0.00 H new ATOM 0 HB2 ARG A 63 28.278 -29.343 0.538 1.00 0.00 H new ATOM 0 HB3 ARG A 63 27.783 -28.599 -0.969 1.00 0.00 H new ATOM 0 HG2 ARG A 63 28.745 -26.516 -0.411 1.00 0.00 H new ATOM 0 HG3 ARG A 63 28.787 -26.881 1.303 1.00 0.00 H new ATOM 0 HD2 ARG A 63 30.417 -28.815 0.634 1.00 0.00 H new ATOM 0 HD3 ARG A 63 30.572 -27.964 -0.891 1.00 0.00 H new ATOM 0 HE ARG A 63 31.833 -26.300 0.156 1.00 0.00 H new ATOM 0 HH11 ARG A 63 30.222 -28.339 2.545 1.00 0.00 H new ATOM 0 HH12 ARG A 63 31.112 -27.648 3.906 1.00 0.00 H new ATOM 0 HH21 ARG A 63 32.972 -25.416 1.908 1.00 0.00 H new ATOM 0 HH22 ARG A 63 32.662 -25.999 3.547 1.00 0.00 H new ATOM 977 N ILE A 64 25.187 -28.118 -1.320 1.00 0.00 N ATOM 978 CA ILE A 64 24.349 -27.540 -2.363 1.00 0.00 C ATOM 979 C ILE A 64 22.931 -27.298 -1.857 1.00 0.00 C ATOM 980 O ILE A 64 22.386 -26.204 -2.004 1.00 0.00 O ATOM 981 CB ILE A 64 24.290 -28.447 -3.606 1.00 0.00 C ATOM 982 CG1 ILE A 64 25.697 -28.681 -4.160 1.00 0.00 C ATOM 983 CG2 ILE A 64 23.393 -27.831 -4.669 1.00 0.00 C ATOM 984 CD1 ILE A 64 25.726 -29.578 -5.378 1.00 0.00 C ATOM 0 H ILE A 64 25.369 -29.116 -1.430 1.00 0.00 H new ATOM 0 HA ILE A 64 24.802 -26.588 -2.640 1.00 0.00 H new ATOM 0 HB ILE A 64 23.869 -29.409 -3.316 1.00 0.00 H new ATOM 0 HG12 ILE A 64 26.142 -27.720 -4.416 1.00 0.00 H new ATOM 0 HG13 ILE A 64 26.317 -29.122 -3.380 1.00 0.00 H new ATOM 0 HG21 ILE A 64 23.361 -28.484 -5.541 1.00 0.00 H new ATOM 0 HG22 ILE A 64 22.386 -27.710 -4.270 1.00 0.00 H new ATOM 0 HG23 ILE A 64 23.788 -26.857 -4.959 1.00 0.00 H new ATOM 0 HD11 ILE A 64 26.755 -29.699 -5.716 1.00 0.00 H new ATOM 0 HD12 ILE A 64 25.311 -30.553 -5.122 1.00 0.00 H new ATOM 0 HD13 ILE A 64 25.133 -29.129 -6.175 1.00 0.00 H new ATOM 996 N ALA A 65 22.339 -28.326 -1.258 1.00 0.00 N ATOM 997 CA ALA A 65 20.985 -28.225 -0.726 1.00 0.00 C ATOM 998 C ALA A 65 20.845 -27.014 0.190 1.00 0.00 C ATOM 999 O ALA A 65 19.833 -26.314 0.159 1.00 0.00 O ATOM 1000 CB ALA A 65 20.614 -29.499 0.019 1.00 0.00 C ATOM 0 H ALA A 65 22.776 -29.239 -1.129 1.00 0.00 H new ATOM 0 HA ALA A 65 20.300 -28.095 -1.564 1.00 0.00 H new ATOM 0 HB1 ALA A 65 19.601 -29.409 0.411 1.00 0.00 H new ATOM 0 HB2 ALA A 65 20.666 -30.348 -0.663 1.00 0.00 H new ATOM 0 HB3 ALA A 65 21.310 -29.654 0.844 1.00 0.00 H new ATOM 1006 N TYR A 66 21.866 -26.774 1.005 1.00 0.00 N ATOM 1007 CA TYR A 66 21.854 -25.649 1.933 1.00 0.00 C ATOM 1008 C TYR A 66 21.993 -24.326 1.187 1.00 0.00 C ATOM 1009 O TYR A 66 21.517 -23.288 1.647 1.00 0.00 O ATOM 1010 CB TYR A 66 22.984 -25.792 2.955 1.00 0.00 C ATOM 1011 CG TYR A 66 22.868 -24.840 4.123 1.00 0.00 C ATOM 1012 CD1 TYR A 66 21.765 -24.878 4.969 1.00 0.00 C ATOM 1013 CD2 TYR A 66 23.859 -23.901 4.382 1.00 0.00 C ATOM 1014 CE1 TYR A 66 21.654 -24.009 6.037 1.00 0.00 C ATOM 1015 CE2 TYR A 66 23.757 -23.030 5.449 1.00 0.00 C ATOM 1016 CZ TYR A 66 22.653 -23.088 6.274 1.00 0.00 C ATOM 1017 OH TYR A 66 22.547 -22.221 7.337 1.00 0.00 O ATOM 0 H TYR A 66 22.712 -27.343 1.042 1.00 0.00 H new ATOM 0 HA TYR A 66 20.897 -25.652 2.455 1.00 0.00 H new ATOM 0 HB2 TYR A 66 22.995 -26.815 3.331 1.00 0.00 H new ATOM 0 HB3 TYR A 66 23.938 -25.626 2.455 1.00 0.00 H new ATOM 0 HD1 TYR A 66 20.982 -25.599 4.788 1.00 0.00 H new ATOM 0 HD2 TYR A 66 24.724 -23.851 3.738 1.00 0.00 H new ATOM 0 HE1 TYR A 66 20.790 -24.051 6.683 1.00 0.00 H new ATOM 0 HE2 TYR A 66 24.537 -22.307 5.636 1.00 0.00 H new ATOM 0 HH TYR A 66 23.335 -21.638 7.364 1.00 0.00 H new ATOM 1027 N SER A 67 22.647 -24.371 0.031 1.00 0.00 N ATOM 1028 CA SER A 67 22.852 -23.176 -0.779 1.00 0.00 C ATOM 1029 C SER A 67 21.561 -22.769 -1.482 1.00 0.00 C ATOM 1030 O SER A 67 21.232 -21.585 -1.564 1.00 0.00 O ATOM 1031 CB SER A 67 23.955 -23.418 -1.812 1.00 0.00 C ATOM 1032 OG SER A 67 25.129 -22.697 -1.482 1.00 0.00 O ATOM 0 H SER A 67 23.044 -25.223 -0.366 1.00 0.00 H new ATOM 0 HA SER A 67 23.156 -22.365 -0.117 1.00 0.00 H new ATOM 0 HB2 SER A 67 24.181 -24.483 -1.865 1.00 0.00 H new ATOM 0 HB3 SER A 67 23.605 -23.117 -2.800 1.00 0.00 H new ATOM 0 HG SER A 67 25.526 -22.328 -2.298 1.00 0.00 H new ATOM 1038 N LEU A 68 20.834 -23.758 -1.989 1.00 0.00 N ATOM 1039 CA LEU A 68 19.577 -23.504 -2.686 1.00 0.00 C ATOM 1040 C LEU A 68 18.652 -22.635 -1.841 1.00 0.00 C ATOM 1041 O LEU A 68 17.903 -21.812 -2.368 1.00 0.00 O ATOM 1042 CB LEU A 68 18.885 -24.825 -3.027 1.00 0.00 C ATOM 1043 CG LEU A 68 19.542 -25.663 -4.124 1.00 0.00 C ATOM 1044 CD1 LEU A 68 18.925 -27.053 -4.176 1.00 0.00 C ATOM 1045 CD2 LEU A 68 19.414 -24.971 -5.473 1.00 0.00 C ATOM 0 H LEU A 68 21.093 -24.743 -1.931 1.00 0.00 H new ATOM 0 HA LEU A 68 19.803 -22.970 -3.609 1.00 0.00 H new ATOM 0 HB2 LEU A 68 18.830 -25.428 -2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 68 17.860 -24.608 -3.328 1.00 0.00 H new ATOM 0 HG LEU A 68 20.602 -25.766 -3.890 1.00 0.00 H new ATOM 0 HD11 LEU A 68 19.405 -27.635 -4.963 1.00 0.00 H new ATOM 0 HD12 LEU A 68 19.069 -27.551 -3.217 1.00 0.00 H new ATOM 0 HD13 LEU A 68 17.859 -26.970 -4.386 1.00 0.00 H new ATOM 0 HD21 LEU A 68 19.887 -25.582 -6.242 1.00 0.00 H new ATOM 0 HD22 LEU A 68 18.360 -24.837 -5.714 1.00 0.00 H new ATOM 0 HD23 LEU A 68 19.903 -23.998 -5.431 1.00 0.00 H new ATOM 1057 N LEU A 69 18.709 -22.822 -0.527 1.00 0.00 N ATOM 1058 CA LEU A 69 17.878 -22.054 0.393 1.00 0.00 C ATOM 1059 C LEU A 69 18.019 -20.557 0.133 1.00 0.00 C ATOM 1060 O LEU A 69 17.029 -19.827 0.097 1.00 0.00 O ATOM 1061 CB LEU A 69 18.257 -22.370 1.840 1.00 0.00 C ATOM 1062 CG LEU A 69 18.388 -23.852 2.192 1.00 0.00 C ATOM 1063 CD1 LEU A 69 18.659 -24.026 3.678 1.00 0.00 C ATOM 1064 CD2 LEU A 69 17.132 -24.609 1.785 1.00 0.00 C ATOM 0 H LEU A 69 19.323 -23.500 -0.075 1.00 0.00 H new ATOM 0 HA LEU A 69 16.839 -22.337 0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 69 19.205 -21.880 2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 69 17.508 -21.926 2.496 1.00 0.00 H new ATOM 0 HG LEU A 69 19.232 -24.264 1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 69 18.749 -25.087 3.910 1.00 0.00 H new ATOM 0 HD12 LEU A 69 19.586 -23.517 3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 69 17.836 -23.598 4.250 1.00 0.00 H new ATOM 0 HD21 LEU A 69 17.242 -25.662 2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 69 16.271 -24.195 2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 69 16.981 -24.513 0.710 1.00 0.00 H new ATOM 1076 N GLY A 70 19.257 -20.107 -0.050 1.00 0.00 N ATOM 1077 CA GLY A 70 19.504 -18.701 -0.306 1.00 0.00 C ATOM 1078 C GLY A 70 19.009 -18.264 -1.670 1.00 0.00 C ATOM 1079 O GLY A 70 18.628 -17.108 -1.860 1.00 0.00 O ATOM 0 H GLY A 70 20.093 -20.691 -0.025 1.00 0.00 H new ATOM 0 HA2 GLY A 70 19.015 -18.103 0.463 1.00 0.00 H new ATOM 0 HA3 GLY A 70 20.573 -18.504 -0.231 1.00 0.00 H new ATOM 1083 N LEU A 71 19.015 -19.188 -2.624 1.00 0.00 N ATOM 1084 CA LEU A 71 18.565 -18.892 -3.979 1.00 0.00 C ATOM 1085 C LEU A 71 17.068 -18.600 -4.004 1.00 0.00 C ATOM 1086 O LEU A 71 16.640 -17.527 -4.430 1.00 0.00 O ATOM 1087 CB LEU A 71 18.883 -20.063 -4.911 1.00 0.00 C ATOM 1088 CG LEU A 71 20.365 -20.398 -5.086 1.00 0.00 C ATOM 1089 CD1 LEU A 71 20.538 -21.574 -6.034 1.00 0.00 C ATOM 1090 CD2 LEU A 71 21.129 -19.184 -5.593 1.00 0.00 C ATOM 0 H LEU A 71 19.327 -20.149 -2.484 1.00 0.00 H new ATOM 0 HA LEU A 71 19.096 -18.005 -4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 71 18.373 -20.950 -4.535 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.462 -19.845 -5.892 1.00 0.00 H new ATOM 0 HG LEU A 71 20.772 -20.679 -4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 71 21.599 -21.798 -6.146 1.00 0.00 H new ATOM 0 HD12 LEU A 71 20.024 -22.446 -5.630 1.00 0.00 H new ATOM 0 HD13 LEU A 71 20.115 -21.322 -7.007 1.00 0.00 H new ATOM 0 HD21 LEU A 71 22.182 -19.440 -5.712 1.00 0.00 H new ATOM 0 HD22 LEU A 71 20.721 -18.873 -6.554 1.00 0.00 H new ATOM 0 HD23 LEU A 71 21.033 -18.368 -4.876 1.00 0.00 H new ATOM 1102 N LYS A 72 16.275 -19.562 -3.543 1.00 0.00 N ATOM 1103 CA LYS A 72 14.826 -19.408 -3.508 1.00 0.00 C ATOM 1104 C LYS A 72 14.426 -18.204 -2.661 1.00 0.00 C ATOM 1105 O LYS A 72 13.366 -17.613 -2.866 1.00 0.00 O ATOM 1106 CB LYS A 72 14.171 -20.675 -2.952 1.00 0.00 C ATOM 1107 CG LYS A 72 14.541 -21.935 -3.715 1.00 0.00 C ATOM 1108 CD LYS A 72 14.184 -23.187 -2.930 1.00 0.00 C ATOM 1109 CE LYS A 72 15.354 -24.158 -2.868 1.00 0.00 C ATOM 1110 NZ LYS A 72 14.898 -25.575 -2.879 1.00 0.00 N ATOM 0 H LYS A 72 16.612 -20.457 -3.188 1.00 0.00 H new ATOM 0 HA LYS A 72 14.479 -19.244 -4.528 1.00 0.00 H new ATOM 0 HB2 LYS A 72 14.459 -20.795 -1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.088 -20.553 -2.972 1.00 0.00 H new ATOM 0 HG2 LYS A 72 14.023 -21.946 -4.674 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.610 -21.931 -3.929 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.885 -22.911 -1.919 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.327 -23.677 -3.393 1.00 0.00 H new ATOM 0 HE2 LYS A 72 16.017 -23.983 -3.715 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.935 -23.970 -1.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.724 -26.206 -2.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.286 -25.749 -2.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.365 -25.762 -3.753 1.00 0.00 H new