USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 556 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 79 THR OG1 : rot 18:sc= 0.0816 USER MOD Set 1.2: A 82 MET CE :methyl -121:sc= -2.67! (180deg=-5.46!) USER MOD Set 2.1: A 32 ASN : amide:sc= 0.0631 K(o=-1.2,f=-1.7) USER MOD Set 2.2: A 34 MET CE :methyl 156:sc= -1.05 (180deg=-2.58) USER MOD Set 2.3: A 76 MET CE :methyl -151:sc= -0.192 (180deg=-0.212) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 30:sc= -0.579 USER MOD Single : A 38 CYS SG : rot 180:sc= -0.391 USER MOD Single : A 43 HIS : no HD1:sc= -0.623 X(o=-0.62,f=-0.16) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.917 X(o=-0.92,f=-0.69) USER MOD Single : A 51 ASN : amide:sc= -0.245 K(o=-0.25,f=-1.4!) USER MOD Single : A 53 THR OG1 : rot -56:sc= 1.09 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 141:sc= -0.548 (180deg=-2.38!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 116:sc= 0.474 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0293 X(o=-0.029,f=-0.017) USER MOD Single : A 71 GLN :FLIP amide:sc= -9.98! C(o=-11!,f=-10!) USER MOD Single : A 81 LYS NZ :NH3+ 160:sc= 0.0134 (180deg=-0.497) USER MOD ----------------------------------------------------------------- ATOM 178 N LYS A 15 20.371 5.069 -28.262 1.00 0.00 N ATOM 179 CA LYS A 15 21.545 5.587 -28.955 1.00 0.00 C ATOM 180 C LYS A 15 21.600 7.109 -28.867 1.00 0.00 C ATOM 181 O LYS A 15 22.671 7.707 -28.974 1.00 0.00 O ATOM 182 CB LYS A 15 21.531 5.150 -30.421 1.00 0.00 C ATOM 183 CG LYS A 15 21.964 3.709 -30.631 1.00 0.00 C ATOM 184 CD LYS A 15 21.315 3.106 -31.865 1.00 0.00 C ATOM 185 CE LYS A 15 22.204 2.049 -32.502 1.00 0.00 C ATOM 186 NZ LYS A 15 21.409 1.011 -33.214 1.00 0.00 N ATOM 0 HA LYS A 15 22.432 5.180 -28.470 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.525 5.280 -30.820 1.00 0.00 H new ATOM 0 HB3 LYS A 15 22.188 5.805 -30.993 1.00 0.00 H new ATOM 0 HG2 LYS A 15 23.049 3.665 -30.731 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.700 3.117 -29.754 1.00 0.00 H new ATOM 0 HD2 LYS A 15 20.357 2.662 -31.594 1.00 0.00 H new ATOM 0 HD3 LYS A 15 21.107 3.893 -32.590 1.00 0.00 H new ATOM 0 HE2 LYS A 15 22.889 2.525 -33.203 1.00 0.00 H new ATOM 0 HE3 LYS A 15 22.813 1.575 -31.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 22.051 0.309 -33.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 20.773 0.538 -32.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 20.847 1.459 -33.965 1.00 0.00 H new ATOM 200 N GLU A 16 20.441 7.729 -28.672 1.00 0.00 N ATOM 201 CA GLU A 16 20.359 9.181 -28.570 1.00 0.00 C ATOM 202 C GLU A 16 20.140 9.613 -27.123 1.00 0.00 C ATOM 203 O GLU A 16 20.901 10.415 -26.581 1.00 0.00 O ATOM 204 CB GLU A 16 19.227 9.714 -29.450 1.00 0.00 C ATOM 205 CG GLU A 16 18.101 8.716 -29.664 1.00 0.00 C ATOM 206 CD GLU A 16 16.952 9.295 -30.467 1.00 0.00 C ATOM 207 OE1 GLU A 16 17.221 9.980 -31.476 1.00 0.00 O ATOM 208 OE2 GLU A 16 15.786 9.064 -30.086 1.00 0.00 O ATOM 0 H GLU A 16 19.546 7.249 -28.581 1.00 0.00 H new ATOM 0 HA GLU A 16 21.305 9.598 -28.916 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.819 10.617 -28.996 1.00 0.00 H new ATOM 0 HB3 GLU A 16 19.636 10.001 -30.419 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.492 7.838 -30.178 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.730 8.380 -28.696 1.00 0.00 H new ATOM 215 N VAL A 17 19.093 9.077 -26.504 1.00 0.00 N ATOM 216 CA VAL A 17 18.773 9.405 -25.120 1.00 0.00 C ATOM 217 C VAL A 17 18.913 10.902 -24.864 1.00 0.00 C ATOM 218 O VAL A 17 19.140 11.331 -23.732 1.00 0.00 O ATOM 219 CB VAL A 17 19.680 8.641 -24.137 1.00 0.00 C ATOM 220 CG1 VAL A 17 21.085 9.224 -24.142 1.00 0.00 C ATOM 221 CG2 VAL A 17 19.088 8.667 -22.736 1.00 0.00 C ATOM 0 H VAL A 17 18.452 8.414 -26.939 1.00 0.00 H new ATOM 0 HA VAL A 17 17.738 9.105 -24.955 1.00 0.00 H new ATOM 0 HB VAL A 17 19.743 7.602 -24.461 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.711 8.671 -23.441 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.507 9.148 -25.144 1.00 0.00 H new ATOM 0 HG13 VAL A 17 21.045 10.272 -23.844 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.742 8.123 -22.055 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.993 9.700 -22.400 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.104 8.197 -22.748 1.00 0.00 H new ATOM 231 N VAL A 18 18.775 11.693 -25.923 1.00 0.00 N ATOM 232 CA VAL A 18 18.884 13.143 -25.813 1.00 0.00 C ATOM 233 C VAL A 18 17.559 13.821 -26.145 1.00 0.00 C ATOM 234 O VAL A 18 17.159 14.781 -25.487 1.00 0.00 O ATOM 235 CB VAL A 18 19.978 13.696 -26.745 1.00 0.00 C ATOM 236 CG1 VAL A 18 21.356 13.267 -26.264 1.00 0.00 C ATOM 237 CG2 VAL A 18 19.738 13.240 -28.177 1.00 0.00 C ATOM 0 H VAL A 18 18.588 11.354 -26.867 1.00 0.00 H new ATOM 0 HA VAL A 18 19.152 13.362 -24.780 1.00 0.00 H new ATOM 0 HB VAL A 18 19.934 14.785 -26.722 1.00 0.00 H new ATOM 0 HG11 VAL A 18 22.116 13.667 -26.935 1.00 0.00 H new ATOM 0 HG12 VAL A 18 21.524 13.647 -25.257 1.00 0.00 H new ATOM 0 HG13 VAL A 18 21.416 12.179 -26.256 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.520 13.640 -28.822 1.00 0.00 H new ATOM 0 HG22 VAL A 18 19.754 12.151 -28.220 1.00 0.00 H new ATOM 0 HG23 VAL A 18 18.768 13.602 -28.516 1.00 0.00 H new ATOM 247 N TYR A 19 16.882 13.313 -27.169 1.00 0.00 N ATOM 248 CA TYR A 19 15.603 13.871 -27.591 1.00 0.00 C ATOM 249 C TYR A 19 14.455 13.276 -26.781 1.00 0.00 C ATOM 250 O TYR A 19 13.284 13.525 -27.067 1.00 0.00 O ATOM 251 CB TYR A 19 15.377 13.613 -29.082 1.00 0.00 C ATOM 252 CG TYR A 19 16.593 13.890 -29.936 1.00 0.00 C ATOM 253 CD1 TYR A 19 16.904 15.183 -30.339 1.00 0.00 C ATOM 254 CD2 TYR A 19 17.432 12.859 -30.340 1.00 0.00 C ATOM 255 CE1 TYR A 19 18.014 15.441 -31.119 1.00 0.00 C ATOM 256 CE2 TYR A 19 18.545 13.107 -31.119 1.00 0.00 C ATOM 257 CZ TYR A 19 18.832 14.400 -31.507 1.00 0.00 C ATOM 258 OH TYR A 19 19.939 14.651 -32.284 1.00 0.00 O ATOM 0 H TYR A 19 17.198 12.516 -27.722 1.00 0.00 H new ATOM 0 HA TYR A 19 15.629 14.946 -27.415 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.075 12.575 -29.221 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.551 14.234 -29.428 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.266 16.001 -30.037 1.00 0.00 H new ATOM 0 HD2 TYR A 19 17.210 11.846 -30.040 1.00 0.00 H new ATOM 0 HE1 TYR A 19 18.240 16.452 -31.424 1.00 0.00 H new ATOM 0 HE2 TYR A 19 19.187 12.294 -31.423 1.00 0.00 H new ATOM 0 HH TYR A 19 20.407 13.810 -32.468 1.00 0.00 H new ATOM 268 N TRP A 20 14.801 12.490 -25.768 1.00 0.00 N ATOM 269 CA TRP A 20 13.801 11.858 -24.915 1.00 0.00 C ATOM 270 C TRP A 20 12.845 12.897 -24.336 1.00 0.00 C ATOM 271 O TRP A 20 13.126 14.095 -24.364 1.00 0.00 O ATOM 272 CB TRP A 20 14.480 11.086 -23.783 1.00 0.00 C ATOM 273 CG TRP A 20 14.938 9.718 -24.188 1.00 0.00 C ATOM 274 CD1 TRP A 20 14.896 9.178 -25.442 1.00 0.00 C ATOM 275 CD2 TRP A 20 15.504 8.716 -23.337 1.00 0.00 C ATOM 276 NE1 TRP A 20 15.402 7.900 -25.421 1.00 0.00 N ATOM 277 CE2 TRP A 20 15.782 7.594 -24.141 1.00 0.00 C ATOM 278 CE3 TRP A 20 15.804 8.658 -21.973 1.00 0.00 C ATOM 279 CZ2 TRP A 20 16.345 6.429 -23.626 1.00 0.00 C ATOM 280 CZ3 TRP A 20 16.362 7.501 -21.463 1.00 0.00 C ATOM 281 CH2 TRP A 20 16.629 6.400 -22.287 1.00 0.00 C ATOM 0 H TRP A 20 15.766 12.275 -25.517 1.00 0.00 H new ATOM 0 HA TRP A 20 13.226 11.162 -25.526 1.00 0.00 H new ATOM 0 HB2 TRP A 20 15.337 11.657 -23.426 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.786 10.996 -22.947 1.00 0.00 H new ATOM 0 HD1 TRP A 20 14.520 9.681 -26.321 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.482 7.280 -26.227 1.00 0.00 H new ATOM 0 HE3 TRP A 20 15.603 9.502 -21.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.550 5.579 -24.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 16.596 7.445 -20.410 1.00 0.00 H new ATOM 0 HH2 TRP A 20 17.067 5.511 -21.858 1.00 0.00 H new ATOM 292 N SER A 21 11.717 12.429 -23.812 1.00 0.00 N ATOM 293 CA SER A 21 10.719 13.319 -23.230 1.00 0.00 C ATOM 294 C SER A 21 10.987 13.538 -21.744 1.00 0.00 C ATOM 295 O SER A 21 11.787 12.839 -21.122 1.00 0.00 O ATOM 296 CB SER A 21 9.315 12.743 -23.427 1.00 0.00 C ATOM 297 OG SER A 21 8.661 13.358 -24.524 1.00 0.00 O ATOM 0 H SER A 21 11.471 11.440 -23.778 1.00 0.00 H new ATOM 0 HA SER A 21 10.785 14.281 -23.739 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.380 11.668 -23.594 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.728 12.890 -22.521 1.00 0.00 H new ATOM 0 HG SER A 21 7.767 12.972 -24.630 1.00 0.00 H new ATOM 303 N PRO A 22 10.302 14.532 -21.160 1.00 0.00 N ATOM 304 CA PRO A 22 10.448 14.867 -19.741 1.00 0.00 C ATOM 305 C PRO A 22 9.861 13.796 -18.829 1.00 0.00 C ATOM 306 O PRO A 22 10.123 13.777 -17.626 1.00 0.00 O ATOM 307 CB PRO A 22 9.665 16.175 -19.603 1.00 0.00 C ATOM 308 CG PRO A 22 8.667 16.138 -20.708 1.00 0.00 C ATOM 309 CD PRO A 22 9.331 15.406 -21.841 1.00 0.00 C ATOM 0 HA PRO A 22 11.494 14.948 -19.447 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.177 16.243 -18.631 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.322 17.041 -19.691 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.756 15.628 -20.394 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.380 17.146 -21.009 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.612 14.830 -22.424 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.823 16.093 -22.530 1.00 0.00 H new ATOM 317 N LYS A 23 9.064 12.904 -19.408 1.00 0.00 N ATOM 318 CA LYS A 23 8.441 11.827 -18.648 1.00 0.00 C ATOM 319 C LYS A 23 9.255 10.542 -18.757 1.00 0.00 C ATOM 320 O LYS A 23 9.317 9.752 -17.814 1.00 0.00 O ATOM 321 CB LYS A 23 7.015 11.583 -19.147 1.00 0.00 C ATOM 322 CG LYS A 23 6.059 11.127 -18.058 1.00 0.00 C ATOM 323 CD LYS A 23 5.761 12.246 -17.074 1.00 0.00 C ATOM 324 CE LYS A 23 5.263 11.701 -15.744 1.00 0.00 C ATOM 325 NZ LYS A 23 4.749 12.782 -14.859 1.00 0.00 N ATOM 0 H LYS A 23 8.834 12.906 -20.402 1.00 0.00 H new ATOM 0 HA LYS A 23 8.408 12.127 -17.601 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.633 12.501 -19.593 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.039 10.831 -19.936 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.129 10.781 -18.510 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.490 10.279 -17.526 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.661 12.838 -16.911 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.012 12.915 -17.498 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.473 10.972 -15.923 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.074 11.175 -15.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.419 12.370 -13.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.510 13.464 -14.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.958 13.268 -15.328 1.00 0.00 H new ATOM 339 N LYS A 24 9.880 10.339 -19.912 1.00 0.00 N ATOM 340 CA LYS A 24 10.694 9.151 -20.143 1.00 0.00 C ATOM 341 C LYS A 24 11.910 9.137 -19.224 1.00 0.00 C ATOM 342 O LYS A 24 12.137 8.173 -18.492 1.00 0.00 O ATOM 343 CB LYS A 24 11.145 9.094 -21.604 1.00 0.00 C ATOM 344 CG LYS A 24 12.351 8.200 -21.834 1.00 0.00 C ATOM 345 CD LYS A 24 12.117 6.798 -21.296 1.00 0.00 C ATOM 346 CE LYS A 24 13.335 5.911 -21.504 1.00 0.00 C ATOM 347 NZ LYS A 24 13.073 4.504 -21.091 1.00 0.00 N ATOM 0 H LYS A 24 9.838 10.982 -20.703 1.00 0.00 H new ATOM 0 HA LYS A 24 10.084 8.275 -19.922 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.317 8.738 -22.217 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.381 10.103 -21.942 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.569 8.150 -22.901 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.225 8.635 -21.350 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.880 6.850 -20.233 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.254 6.355 -21.794 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.625 5.933 -22.554 1.00 0.00 H new ATOM 0 HE3 LYS A 24 14.175 6.307 -20.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.927 3.931 -21.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.820 4.480 -20.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.288 4.117 -21.654 1.00 0.00 H new ATOM 361 N VAL A 25 12.690 10.212 -19.265 1.00 0.00 N ATOM 362 CA VAL A 25 13.883 10.324 -18.434 1.00 0.00 C ATOM 363 C VAL A 25 13.631 9.775 -17.034 1.00 0.00 C ATOM 364 O VAL A 25 14.494 9.123 -16.447 1.00 0.00 O ATOM 365 CB VAL A 25 14.355 11.786 -18.323 1.00 0.00 C ATOM 366 CG1 VAL A 25 15.526 11.898 -17.359 1.00 0.00 C ATOM 367 CG2 VAL A 25 14.728 12.331 -19.693 1.00 0.00 C ATOM 0 H VAL A 25 12.517 11.018 -19.865 1.00 0.00 H new ATOM 0 HA VAL A 25 14.662 9.735 -18.918 1.00 0.00 H new ATOM 0 HB VAL A 25 13.534 12.385 -17.930 1.00 0.00 H new ATOM 0 HG11 VAL A 25 15.845 12.938 -17.294 1.00 0.00 H new ATOM 0 HG12 VAL A 25 15.220 11.550 -16.373 1.00 0.00 H new ATOM 0 HG13 VAL A 25 16.353 11.286 -17.719 1.00 0.00 H new ATOM 0 HG21 VAL A 25 15.059 13.365 -19.595 1.00 0.00 H new ATOM 0 HG22 VAL A 25 15.533 11.731 -20.117 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.859 12.289 -20.350 1.00 0.00 H new ATOM 377 N ALA A 26 12.442 10.043 -16.504 1.00 0.00 N ATOM 378 CA ALA A 26 12.075 9.574 -15.174 1.00 0.00 C ATOM 379 C ALA A 26 11.939 8.055 -15.146 1.00 0.00 C ATOM 380 O ALA A 26 12.575 7.380 -14.336 1.00 0.00 O ATOM 381 CB ALA A 26 10.779 10.230 -14.722 1.00 0.00 C ATOM 0 H ALA A 26 11.716 10.583 -16.976 1.00 0.00 H new ATOM 0 HA ALA A 26 12.871 9.854 -14.484 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.517 9.870 -13.727 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.909 11.312 -14.694 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.981 9.978 -15.421 1.00 0.00 H new ATOM 387 N ASP A 27 11.106 7.524 -16.034 1.00 0.00 N ATOM 388 CA ASP A 27 10.887 6.084 -16.111 1.00 0.00 C ATOM 389 C ASP A 27 12.214 5.332 -16.129 1.00 0.00 C ATOM 390 O ASP A 27 12.321 4.230 -15.592 1.00 0.00 O ATOM 391 CB ASP A 27 10.073 5.736 -17.358 1.00 0.00 C ATOM 392 CG ASP A 27 8.580 5.745 -17.096 1.00 0.00 C ATOM 393 OD1 ASP A 27 8.181 5.536 -15.931 1.00 0.00 O ATOM 394 OD2 ASP A 27 7.809 5.959 -18.055 1.00 0.00 O ATOM 0 H ASP A 27 10.571 8.069 -16.711 1.00 0.00 H new ATOM 0 HA ASP A 27 10.329 5.779 -15.226 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.304 6.449 -18.150 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.370 4.751 -17.719 1.00 0.00 H new ATOM 399 N TRP A 28 13.221 5.936 -16.750 1.00 0.00 N ATOM 400 CA TRP A 28 14.542 5.323 -16.838 1.00 0.00 C ATOM 401 C TRP A 28 15.200 5.248 -15.465 1.00 0.00 C ATOM 402 O TRP A 28 15.965 4.325 -15.181 1.00 0.00 O ATOM 403 CB TRP A 28 15.430 6.113 -17.800 1.00 0.00 C ATOM 404 CG TRP A 28 16.851 5.636 -17.824 1.00 0.00 C ATOM 405 CD1 TRP A 28 17.338 4.543 -18.482 1.00 0.00 C ATOM 406 CD2 TRP A 28 17.967 6.237 -17.159 1.00 0.00 C ATOM 407 NE1 TRP A 28 18.690 4.428 -18.266 1.00 0.00 N ATOM 408 CE2 TRP A 28 19.100 5.456 -17.458 1.00 0.00 C ATOM 409 CE3 TRP A 28 18.121 7.360 -16.341 1.00 0.00 C ATOM 410 CZ2 TRP A 28 20.367 5.762 -16.967 1.00 0.00 C ATOM 411 CZ3 TRP A 28 19.378 7.663 -15.854 1.00 0.00 C ATOM 412 CH2 TRP A 28 20.488 6.867 -16.169 1.00 0.00 C ATOM 0 H TRP A 28 13.148 6.849 -17.200 1.00 0.00 H new ATOM 0 HA TRP A 28 14.420 4.308 -17.217 1.00 0.00 H new ATOM 0 HB2 TRP A 28 15.014 6.045 -18.805 1.00 0.00 H new ATOM 0 HB3 TRP A 28 15.412 7.166 -17.518 1.00 0.00 H new ATOM 0 HD1 TRP A 28 16.747 3.868 -19.084 1.00 0.00 H new ATOM 0 HE1 TRP A 28 19.291 3.696 -18.645 1.00 0.00 H new ATOM 0 HE3 TRP A 28 17.272 7.980 -16.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 21.223 5.149 -17.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 19.508 8.528 -15.220 1.00 0.00 H new ATOM 0 HH2 TRP A 28 21.458 7.131 -15.774 1.00 0.00 H new ATOM 423 N LEU A 29 14.898 6.223 -14.615 1.00 0.00 N ATOM 424 CA LEU A 29 15.461 6.268 -13.270 1.00 0.00 C ATOM 425 C LEU A 29 14.825 5.207 -12.378 1.00 0.00 C ATOM 426 O LEU A 29 15.521 4.469 -11.678 1.00 0.00 O ATOM 427 CB LEU A 29 15.259 7.654 -12.656 1.00 0.00 C ATOM 428 CG LEU A 29 15.971 8.810 -13.361 1.00 0.00 C ATOM 429 CD1 LEU A 29 15.352 10.141 -12.961 1.00 0.00 C ATOM 430 CD2 LEU A 29 17.458 8.795 -13.041 1.00 0.00 C ATOM 0 H LEU A 29 14.266 6.993 -14.833 1.00 0.00 H new ATOM 0 HA LEU A 29 16.529 6.063 -13.344 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.191 7.869 -12.637 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.596 7.623 -11.620 1.00 0.00 H new ATOM 0 HG LEU A 29 15.850 8.684 -14.437 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.871 10.952 -13.472 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.299 10.151 -13.241 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.442 10.275 -11.883 1.00 0.00 H new ATOM 0 HD21 LEU A 29 17.948 9.624 -13.551 1.00 0.00 H new ATOM 0 HD22 LEU A 29 17.600 8.896 -11.965 1.00 0.00 H new ATOM 0 HD23 LEU A 29 17.893 7.854 -13.377 1.00 0.00 H new ATOM 442 N LEU A 30 13.499 5.133 -12.409 1.00 0.00 N ATOM 443 CA LEU A 30 12.768 4.160 -11.605 1.00 0.00 C ATOM 444 C LEU A 30 13.038 2.740 -12.090 1.00 0.00 C ATOM 445 O LEU A 30 13.018 1.792 -11.306 1.00 0.00 O ATOM 446 CB LEU A 30 11.267 4.452 -11.656 1.00 0.00 C ATOM 447 CG LEU A 30 10.865 5.922 -11.537 1.00 0.00 C ATOM 448 CD1 LEU A 30 9.461 6.137 -12.082 1.00 0.00 C ATOM 449 CD2 LEU A 30 10.954 6.384 -10.090 1.00 0.00 C ATOM 0 H LEU A 30 12.908 5.735 -12.982 1.00 0.00 H new ATOM 0 HA LEU A 30 13.114 4.244 -10.575 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.873 4.063 -12.595 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.782 3.897 -10.853 1.00 0.00 H new ATOM 0 HG LEU A 30 11.558 6.518 -12.131 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.192 7.189 -11.989 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.430 5.846 -13.132 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.754 5.530 -11.516 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.664 7.433 -10.024 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.284 5.783 -9.474 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.977 6.267 -9.733 1.00 0.00 H new ATOM 461 N GLU A 31 13.292 2.601 -13.388 1.00 0.00 N ATOM 462 CA GLU A 31 13.568 1.296 -13.976 1.00 0.00 C ATOM 463 C GLU A 31 14.779 0.646 -13.314 1.00 0.00 C ATOM 464 O GLU A 31 14.919 -0.576 -13.316 1.00 0.00 O ATOM 465 CB GLU A 31 13.808 1.432 -15.482 1.00 0.00 C ATOM 466 CG GLU A 31 13.707 0.116 -16.235 1.00 0.00 C ATOM 467 CD GLU A 31 12.272 -0.303 -16.487 1.00 0.00 C ATOM 468 OE1 GLU A 31 11.625 0.299 -17.369 1.00 0.00 O ATOM 469 OE2 GLU A 31 11.796 -1.233 -15.803 1.00 0.00 O ATOM 0 H GLU A 31 13.312 3.376 -14.051 1.00 0.00 H new ATOM 0 HA GLU A 31 12.699 0.659 -13.809 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.084 2.134 -15.895 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.797 1.860 -15.647 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.228 0.206 -17.188 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.215 -0.663 -15.667 1.00 0.00 H new ATOM 476 N ASN A 32 15.652 1.473 -12.747 1.00 0.00 N ATOM 477 CA ASN A 32 16.851 0.979 -12.081 1.00 0.00 C ATOM 478 C ASN A 32 16.828 1.321 -10.594 1.00 0.00 C ATOM 479 O ASN A 32 17.859 1.287 -9.923 1.00 0.00 O ATOM 480 CB ASN A 32 18.102 1.571 -12.733 1.00 0.00 C ATOM 481 CG ASN A 32 18.200 1.235 -14.208 1.00 0.00 C ATOM 482 OD1 ASN A 32 18.511 0.103 -14.579 1.00 0.00 O ATOM 483 ND2 ASN A 32 17.934 2.220 -15.058 1.00 0.00 N ATOM 0 H ASN A 32 15.551 2.488 -12.736 1.00 0.00 H new ATOM 0 HA ASN A 32 16.874 -0.106 -12.185 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.095 2.654 -12.610 1.00 0.00 H new ATOM 0 HB3 ASN A 32 18.988 1.198 -12.219 1.00 0.00 H new ATOM 0 HD21 ASN A 32 17.983 2.054 -16.063 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.680 3.143 -14.706 1.00 0.00 H new ATOM 490 N ALA A 33 15.645 1.651 -10.087 1.00 0.00 N ATOM 491 CA ALA A 33 15.486 1.996 -8.680 1.00 0.00 C ATOM 492 C ALA A 33 16.239 3.279 -8.341 1.00 0.00 C ATOM 493 O ALA A 33 17.019 3.319 -7.390 1.00 0.00 O ATOM 494 CB ALA A 33 15.965 0.853 -7.798 1.00 0.00 C ATOM 0 H ALA A 33 14.782 1.687 -10.630 1.00 0.00 H new ATOM 0 HA ALA A 33 14.426 2.166 -8.491 1.00 0.00 H new ATOM 0 HB1 ALA A 33 15.840 1.125 -6.750 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.381 -0.042 -8.013 1.00 0.00 H new ATOM 0 HB3 ALA A 33 17.018 0.655 -7.999 1.00 0.00 H new ATOM 500 N MET A 34 16.001 4.324 -9.126 1.00 0.00 N ATOM 501 CA MET A 34 16.658 5.608 -8.909 1.00 0.00 C ATOM 502 C MET A 34 15.633 6.734 -8.819 1.00 0.00 C ATOM 503 O MET A 34 15.754 7.770 -9.474 1.00 0.00 O ATOM 504 CB MET A 34 17.650 5.895 -10.037 1.00 0.00 C ATOM 505 CG MET A 34 18.590 4.736 -10.329 1.00 0.00 C ATOM 506 SD MET A 34 20.169 5.278 -11.010 1.00 0.00 S ATOM 507 CE MET A 34 19.720 5.563 -12.721 1.00 0.00 C ATOM 0 H MET A 34 15.358 4.307 -9.918 1.00 0.00 H new ATOM 0 HA MET A 34 17.199 5.556 -7.964 1.00 0.00 H new ATOM 0 HB2 MET A 34 17.096 6.140 -10.943 1.00 0.00 H new ATOM 0 HB3 MET A 34 18.240 6.774 -9.776 1.00 0.00 H new ATOM 0 HG2 MET A 34 18.768 4.177 -9.410 1.00 0.00 H new ATOM 0 HG3 MET A 34 18.111 4.053 -11.031 1.00 0.00 H new ATOM 0 HE1 MET A 34 20.415 6.276 -13.166 1.00 0.00 H new ATOM 0 HE2 MET A 34 19.764 4.623 -13.270 1.00 0.00 H new ATOM 0 HE3 MET A 34 18.708 5.964 -12.770 1.00 0.00 H new ATOM 517 N PRO A 35 14.599 6.530 -7.989 1.00 0.00 N ATOM 518 CA PRO A 35 13.533 7.518 -7.795 1.00 0.00 C ATOM 519 C PRO A 35 14.018 8.754 -7.045 1.00 0.00 C ATOM 520 O PRO A 35 13.390 9.811 -7.102 1.00 0.00 O ATOM 521 CB PRO A 35 12.495 6.760 -6.963 1.00 0.00 C ATOM 522 CG PRO A 35 13.275 5.711 -6.248 1.00 0.00 C ATOM 523 CD PRO A 35 14.391 5.320 -7.177 1.00 0.00 C ATOM 0 HA PRO A 35 13.148 7.894 -8.743 1.00 0.00 H new ATOM 0 HB2 PRO A 35 11.989 7.423 -6.262 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.726 6.318 -7.597 1.00 0.00 H new ATOM 0 HG2 PRO A 35 13.667 6.091 -5.305 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.647 4.853 -6.009 1.00 0.00 H new ATOM 0 HD2 PRO A 35 15.292 5.044 -6.629 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.119 4.464 -7.794 1.00 0.00 H new ATOM 531 N GLU A 36 15.138 8.613 -6.343 1.00 0.00 N ATOM 532 CA GLU A 36 15.705 9.719 -5.580 1.00 0.00 C ATOM 533 C GLU A 36 16.163 10.841 -6.508 1.00 0.00 C ATOM 534 O GLU A 36 16.256 11.999 -6.101 1.00 0.00 O ATOM 535 CB GLU A 36 16.881 9.233 -4.731 1.00 0.00 C ATOM 536 CG GLU A 36 17.951 8.510 -5.531 1.00 0.00 C ATOM 537 CD GLU A 36 18.745 7.529 -4.689 1.00 0.00 C ATOM 538 OE1 GLU A 36 18.504 7.465 -3.466 1.00 0.00 O ATOM 539 OE2 GLU A 36 19.608 6.825 -5.256 1.00 0.00 O ATOM 0 H GLU A 36 15.670 7.745 -6.287 1.00 0.00 H new ATOM 0 HA GLU A 36 14.928 10.108 -4.922 1.00 0.00 H new ATOM 0 HB2 GLU A 36 17.332 10.088 -4.227 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.507 8.566 -3.955 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.483 7.977 -6.359 1.00 0.00 H new ATOM 0 HG3 GLU A 36 18.631 9.242 -5.967 1.00 0.00 H new ATOM 546 N TYR A 37 16.449 10.488 -7.756 1.00 0.00 N ATOM 547 CA TYR A 37 16.901 11.464 -8.742 1.00 0.00 C ATOM 548 C TYR A 37 15.732 11.974 -9.579 1.00 0.00 C ATOM 549 O TYR A 37 15.867 12.941 -10.330 1.00 0.00 O ATOM 550 CB TYR A 37 17.963 10.845 -9.652 1.00 0.00 C ATOM 551 CG TYR A 37 19.281 10.588 -8.957 1.00 0.00 C ATOM 552 CD1 TYR A 37 20.092 11.640 -8.551 1.00 0.00 C ATOM 553 CD2 TYR A 37 19.715 9.292 -8.707 1.00 0.00 C ATOM 554 CE1 TYR A 37 21.297 11.409 -7.917 1.00 0.00 C ATOM 555 CE2 TYR A 37 20.918 9.052 -8.071 1.00 0.00 C ATOM 556 CZ TYR A 37 21.705 10.114 -7.679 1.00 0.00 C ATOM 557 OH TYR A 37 22.905 9.880 -7.046 1.00 0.00 O ATOM 0 H TYR A 37 16.376 9.534 -8.109 1.00 0.00 H new ATOM 0 HA TYR A 37 17.337 12.308 -8.208 1.00 0.00 H new ATOM 0 HB2 TYR A 37 17.583 9.905 -10.052 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.133 11.507 -10.501 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.775 12.656 -8.734 1.00 0.00 H new ATOM 0 HD2 TYR A 37 19.102 8.458 -9.015 1.00 0.00 H new ATOM 0 HE1 TYR A 37 21.916 12.239 -7.609 1.00 0.00 H new ATOM 0 HE2 TYR A 37 21.240 8.039 -7.882 1.00 0.00 H new ATOM 0 HH TYR A 37 23.103 10.621 -6.436 1.00 0.00 H new ATOM 567 N CYS A 38 14.585 11.318 -9.443 1.00 0.00 N ATOM 568 CA CYS A 38 13.391 11.704 -10.187 1.00 0.00 C ATOM 569 C CYS A 38 12.992 13.141 -9.867 1.00 0.00 C ATOM 570 O CYS A 38 12.603 13.899 -10.754 1.00 0.00 O ATOM 571 CB CYS A 38 12.235 10.757 -9.862 1.00 0.00 C ATOM 572 SG CYS A 38 10.936 10.719 -11.120 1.00 0.00 S ATOM 0 H CYS A 38 14.456 10.517 -8.825 1.00 0.00 H new ATOM 0 HA CYS A 38 13.618 11.637 -11.251 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.630 9.749 -9.733 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.795 11.052 -8.909 1.00 0.00 H new ATOM 0 HG CYS A 38 10.004 9.889 -10.757 1.00 0.00 H new ATOM 578 N GLU A 39 13.090 13.507 -8.592 1.00 0.00 N ATOM 579 CA GLU A 39 12.738 14.853 -8.156 1.00 0.00 C ATOM 580 C GLU A 39 13.509 15.903 -8.951 1.00 0.00 C ATOM 581 O GLU A 39 12.932 16.755 -9.626 1.00 0.00 O ATOM 582 CB GLU A 39 13.022 15.020 -6.662 1.00 0.00 C ATOM 583 CG GLU A 39 11.817 14.744 -5.778 1.00 0.00 C ATOM 584 CD GLU A 39 12.187 14.600 -4.315 1.00 0.00 C ATOM 585 OE1 GLU A 39 12.573 13.485 -3.907 1.00 0.00 O ATOM 586 OE2 GLU A 39 12.091 15.603 -3.578 1.00 0.00 O ATOM 0 H GLU A 39 13.410 12.891 -7.845 1.00 0.00 H new ATOM 0 HA GLU A 39 11.672 14.997 -8.335 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.832 14.348 -6.378 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.371 16.036 -6.479 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.097 15.555 -5.889 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.325 13.832 -6.116 1.00 0.00 H new ATOM 593 N PRO A 40 14.847 15.840 -8.871 1.00 0.00 N ATOM 594 CA PRO A 40 15.727 16.777 -9.576 1.00 0.00 C ATOM 595 C PRO A 40 15.710 16.563 -11.086 1.00 0.00 C ATOM 596 O PRO A 40 16.069 17.456 -11.854 1.00 0.00 O ATOM 597 CB PRO A 40 17.112 16.459 -9.007 1.00 0.00 C ATOM 598 CG PRO A 40 17.019 15.044 -8.552 1.00 0.00 C ATOM 599 CD PRO A 40 15.603 14.851 -8.085 1.00 0.00 C ATOM 0 HA PRO A 40 15.419 17.813 -9.432 1.00 0.00 H new ATOM 0 HB2 PRO A 40 17.888 16.582 -9.763 1.00 0.00 H new ATOM 0 HB3 PRO A 40 17.363 17.125 -8.181 1.00 0.00 H new ATOM 0 HG2 PRO A 40 17.259 14.357 -9.363 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.726 14.846 -7.746 1.00 0.00 H new ATOM 0 HD2 PRO A 40 15.253 13.836 -8.273 1.00 0.00 H new ATOM 0 HD3 PRO A 40 15.505 15.029 -7.014 1.00 0.00 H new ATOM 607 N LEU A 41 15.290 15.374 -11.506 1.00 0.00 N ATOM 608 CA LEU A 41 15.227 15.042 -12.925 1.00 0.00 C ATOM 609 C LEU A 41 13.780 14.962 -13.401 1.00 0.00 C ATOM 610 O LEU A 41 13.494 14.388 -14.451 1.00 0.00 O ATOM 611 CB LEU A 41 15.937 13.714 -13.190 1.00 0.00 C ATOM 612 CG LEU A 41 17.386 13.620 -12.709 1.00 0.00 C ATOM 613 CD1 LEU A 41 17.879 12.183 -12.781 1.00 0.00 C ATOM 614 CD2 LEU A 41 18.281 14.535 -13.532 1.00 0.00 C ATOM 0 H LEU A 41 14.988 14.624 -10.884 1.00 0.00 H new ATOM 0 HA LEU A 41 15.730 15.833 -13.481 1.00 0.00 H new ATOM 0 HB2 LEU A 41 15.365 12.918 -12.714 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.918 13.523 -14.263 1.00 0.00 H new ATOM 0 HG LEU A 41 17.426 13.945 -11.669 1.00 0.00 H new ATOM 0 HD11 LEU A 41 18.912 12.135 -12.435 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.255 11.552 -12.148 1.00 0.00 H new ATOM 0 HD13 LEU A 41 17.825 11.831 -13.811 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.308 14.455 -13.176 1.00 0.00 H new ATOM 0 HD22 LEU A 41 18.236 14.241 -14.581 1.00 0.00 H new ATOM 0 HD23 LEU A 41 17.940 15.565 -13.430 1.00 0.00 H new ATOM 626 N GLU A 42 12.873 15.544 -12.623 1.00 0.00 N ATOM 627 CA GLU A 42 11.456 15.539 -12.967 1.00 0.00 C ATOM 628 C GLU A 42 11.232 16.117 -14.361 1.00 0.00 C ATOM 629 O GLU A 42 10.642 15.470 -15.227 1.00 0.00 O ATOM 630 CB GLU A 42 10.655 16.338 -11.936 1.00 0.00 C ATOM 631 CG GLU A 42 11.216 17.725 -11.673 1.00 0.00 C ATOM 632 CD GLU A 42 10.826 18.263 -10.310 1.00 0.00 C ATOM 633 OE1 GLU A 42 10.465 17.451 -9.432 1.00 0.00 O ATOM 634 OE2 GLU A 42 10.882 19.496 -10.121 1.00 0.00 O ATOM 0 H GLU A 42 13.094 16.025 -11.751 1.00 0.00 H new ATOM 0 HA GLU A 42 11.111 14.505 -12.962 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.625 16.431 -12.281 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.628 15.782 -10.999 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.303 17.694 -11.750 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.861 18.409 -12.444 1.00 0.00 H new ATOM 641 N HIS A 43 11.707 17.341 -14.570 1.00 0.00 N ATOM 642 CA HIS A 43 11.560 18.008 -15.859 1.00 0.00 C ATOM 643 C HIS A 43 12.852 17.925 -16.665 1.00 0.00 C ATOM 644 O HIS A 43 13.182 18.835 -17.426 1.00 0.00 O ATOM 645 CB HIS A 43 11.165 19.472 -15.657 1.00 0.00 C ATOM 646 CG HIS A 43 12.291 20.336 -15.179 1.00 0.00 C ATOM 647 ND1 HIS A 43 12.668 21.500 -15.814 1.00 0.00 N ATOM 648 CD2 HIS A 43 13.122 20.200 -14.120 1.00 0.00 C ATOM 649 CE1 HIS A 43 13.684 22.042 -15.168 1.00 0.00 C ATOM 650 NE2 HIS A 43 13.979 21.274 -14.135 1.00 0.00 N ATOM 0 H HIS A 43 12.197 17.891 -13.864 1.00 0.00 H new ATOM 0 HA HIS A 43 10.772 17.500 -16.415 1.00 0.00 H new ATOM 0 HB2 HIS A 43 10.786 19.871 -16.598 1.00 0.00 H new ATOM 0 HB3 HIS A 43 10.348 19.523 -14.937 1.00 0.00 H new ATOM 0 HD2 HIS A 43 13.113 19.397 -13.398 1.00 0.00 H new ATOM 0 HE1 HIS A 43 14.188 22.958 -15.438 1.00 0.00 H new ATOM 0 HE2 HIS A 43 14.722 21.449 -13.458 1.00 0.00 H new ATOM 658 N PHE A 44 13.582 16.827 -16.493 1.00 0.00 N ATOM 659 CA PHE A 44 14.840 16.626 -17.203 1.00 0.00 C ATOM 660 C PHE A 44 14.627 15.787 -18.459 1.00 0.00 C ATOM 661 O PHE A 44 13.827 14.851 -18.467 1.00 0.00 O ATOM 662 CB PHE A 44 15.862 15.946 -16.289 1.00 0.00 C ATOM 663 CG PHE A 44 16.727 16.914 -15.534 1.00 0.00 C ATOM 664 CD1 PHE A 44 16.167 17.815 -14.643 1.00 0.00 C ATOM 665 CD2 PHE A 44 18.101 16.922 -15.714 1.00 0.00 C ATOM 666 CE1 PHE A 44 16.961 18.707 -13.947 1.00 0.00 C ATOM 667 CE2 PHE A 44 18.900 17.811 -15.021 1.00 0.00 C ATOM 668 CZ PHE A 44 18.329 18.704 -14.135 1.00 0.00 C ATOM 0 H PHE A 44 13.324 16.063 -15.868 1.00 0.00 H new ATOM 0 HA PHE A 44 15.221 17.603 -17.500 1.00 0.00 H new ATOM 0 HB2 PHE A 44 15.335 15.310 -15.577 1.00 0.00 H new ATOM 0 HB3 PHE A 44 16.497 15.294 -16.889 1.00 0.00 H new ATOM 0 HD1 PHE A 44 15.098 17.820 -14.490 1.00 0.00 H new ATOM 0 HD2 PHE A 44 18.553 16.225 -16.404 1.00 0.00 H new ATOM 0 HE1 PHE A 44 16.512 19.406 -13.257 1.00 0.00 H new ATOM 0 HE2 PHE A 44 19.969 17.808 -15.172 1.00 0.00 H new ATOM 0 HZ PHE A 44 18.951 19.399 -13.590 1.00 0.00 H new ATOM 678 N THR A 45 15.348 16.130 -19.522 1.00 0.00 N ATOM 679 CA THR A 45 15.238 15.412 -20.785 1.00 0.00 C ATOM 680 C THR A 45 16.495 14.597 -21.066 1.00 0.00 C ATOM 681 O THR A 45 17.601 14.999 -20.707 1.00 0.00 O ATOM 682 CB THR A 45 14.992 16.377 -21.960 1.00 0.00 C ATOM 683 OG1 THR A 45 15.877 17.499 -21.867 1.00 0.00 O ATOM 684 CG2 THR A 45 13.550 16.862 -21.970 1.00 0.00 C ATOM 0 H THR A 45 16.015 16.902 -19.533 1.00 0.00 H new ATOM 0 HA THR A 45 14.386 14.739 -20.692 1.00 0.00 H new ATOM 0 HB THR A 45 15.184 15.839 -22.888 1.00 0.00 H new ATOM 0 HG1 THR A 45 15.715 18.107 -22.619 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.401 17.542 -22.809 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.880 16.008 -22.071 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.335 17.383 -21.037 1.00 0.00 H new ATOM 692 N GLY A 46 16.318 13.448 -21.712 1.00 0.00 N ATOM 693 CA GLY A 46 17.447 12.594 -22.029 1.00 0.00 C ATOM 694 C GLY A 46 18.714 13.383 -22.297 1.00 0.00 C ATOM 695 O GLY A 46 19.803 12.975 -21.895 1.00 0.00 O ATOM 0 H GLY A 46 15.413 13.094 -22.021 1.00 0.00 H new ATOM 0 HA2 GLY A 46 17.620 11.904 -21.203 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.207 11.990 -22.904 1.00 0.00 H new ATOM 699 N GLN A 47 18.571 14.515 -22.979 1.00 0.00 N ATOM 700 CA GLN A 47 19.713 15.361 -23.302 1.00 0.00 C ATOM 701 C GLN A 47 20.321 15.961 -22.038 1.00 0.00 C ATOM 702 O GLN A 47 21.519 15.827 -21.790 1.00 0.00 O ATOM 703 CB GLN A 47 19.293 16.478 -24.260 1.00 0.00 C ATOM 704 CG GLN A 47 20.432 17.409 -24.646 1.00 0.00 C ATOM 705 CD GLN A 47 21.207 16.914 -25.850 1.00 0.00 C ATOM 706 OE1 GLN A 47 20.836 17.179 -26.994 1.00 0.00 O ATOM 707 NE2 GLN A 47 22.292 16.190 -25.599 1.00 0.00 N ATOM 0 H GLN A 47 17.676 14.867 -23.318 1.00 0.00 H new ATOM 0 HA GLN A 47 20.467 14.741 -23.787 1.00 0.00 H new ATOM 0 HB2 GLN A 47 18.877 16.033 -25.164 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.498 17.063 -23.797 1.00 0.00 H new ATOM 0 HG2 GLN A 47 20.030 18.399 -24.859 1.00 0.00 H new ATOM 0 HG3 GLN A 47 21.111 17.516 -23.800 1.00 0.00 H new ATOM 0 HE21 GLN A 47 22.563 15.994 -24.635 1.00 0.00 H new ATOM 0 HE22 GLN A 47 22.854 15.830 -26.370 1.00 0.00 H new ATOM 716 N ASP A 48 19.487 16.623 -21.243 1.00 0.00 N ATOM 717 CA ASP A 48 19.941 17.242 -20.004 1.00 0.00 C ATOM 718 C ASP A 48 20.446 16.188 -19.023 1.00 0.00 C ATOM 719 O ASP A 48 21.416 16.413 -18.298 1.00 0.00 O ATOM 720 CB ASP A 48 18.809 18.049 -19.367 1.00 0.00 C ATOM 721 CG ASP A 48 18.669 19.430 -19.976 1.00 0.00 C ATOM 722 OD1 ASP A 48 18.903 19.567 -21.195 1.00 0.00 O ATOM 723 OD2 ASP A 48 18.326 20.375 -19.234 1.00 0.00 O ATOM 0 H ASP A 48 18.493 16.744 -21.435 1.00 0.00 H new ATOM 0 HA ASP A 48 20.765 17.914 -20.243 1.00 0.00 H new ATOM 0 HB2 ASP A 48 17.870 17.507 -19.483 1.00 0.00 H new ATOM 0 HB3 ASP A 48 18.992 18.144 -18.297 1.00 0.00 H new ATOM 728 N LEU A 49 19.781 15.039 -19.004 1.00 0.00 N ATOM 729 CA LEU A 49 20.162 13.949 -18.112 1.00 0.00 C ATOM 730 C LEU A 49 21.584 13.479 -18.402 1.00 0.00 C ATOM 731 O LEU A 49 22.411 13.377 -17.496 1.00 0.00 O ATOM 732 CB LEU A 49 19.186 12.780 -18.258 1.00 0.00 C ATOM 733 CG LEU A 49 19.626 11.457 -17.629 1.00 0.00 C ATOM 734 CD1 LEU A 49 18.420 10.679 -17.126 1.00 0.00 C ATOM 735 CD2 LEU A 49 20.418 10.628 -18.629 1.00 0.00 C ATOM 0 H LEU A 49 18.975 14.837 -19.596 1.00 0.00 H new ATOM 0 HA LEU A 49 20.124 14.320 -17.088 1.00 0.00 H new ATOM 0 HB2 LEU A 49 18.233 13.071 -17.816 1.00 0.00 H new ATOM 0 HB3 LEU A 49 19.007 12.613 -19.320 1.00 0.00 H new ATOM 0 HG LEU A 49 20.271 11.678 -16.779 1.00 0.00 H new ATOM 0 HD11 LEU A 49 18.752 9.741 -16.682 1.00 0.00 H new ATOM 0 HD12 LEU A 49 17.893 11.269 -16.376 1.00 0.00 H new ATOM 0 HD13 LEU A 49 17.749 10.469 -17.959 1.00 0.00 H new ATOM 0 HD21 LEU A 49 20.723 9.690 -18.164 1.00 0.00 H new ATOM 0 HD22 LEU A 49 19.797 10.416 -19.499 1.00 0.00 H new ATOM 0 HD23 LEU A 49 21.303 11.182 -18.941 1.00 0.00 H new ATOM 747 N ILE A 50 21.861 13.197 -19.670 1.00 0.00 N ATOM 748 CA ILE A 50 23.184 12.743 -20.080 1.00 0.00 C ATOM 749 C ILE A 50 24.224 13.842 -19.895 1.00 0.00 C ATOM 750 O ILE A 50 25.424 13.573 -19.844 1.00 0.00 O ATOM 751 CB ILE A 50 23.192 12.286 -21.551 1.00 0.00 C ATOM 752 CG1 ILE A 50 23.021 13.489 -22.482 1.00 0.00 C ATOM 753 CG2 ILE A 50 22.094 11.262 -21.793 1.00 0.00 C ATOM 754 CD1 ILE A 50 23.749 13.341 -23.799 1.00 0.00 C ATOM 0 H ILE A 50 21.187 13.275 -20.432 1.00 0.00 H new ATOM 0 HA ILE A 50 23.438 11.895 -19.444 1.00 0.00 H new ATOM 0 HB ILE A 50 24.152 11.817 -21.766 1.00 0.00 H new ATOM 0 HG12 ILE A 50 21.959 13.639 -22.678 1.00 0.00 H new ATOM 0 HG13 ILE A 50 23.381 14.384 -21.975 1.00 0.00 H new ATOM 0 HG21 ILE A 50 22.112 10.949 -22.837 1.00 0.00 H new ATOM 0 HG22 ILE A 50 22.256 10.396 -21.151 1.00 0.00 H new ATOM 0 HG23 ILE A 50 21.125 11.706 -21.565 1.00 0.00 H new ATOM 0 HD11 ILE A 50 23.584 14.230 -24.408 1.00 0.00 H new ATOM 0 HD12 ILE A 50 24.816 13.222 -23.613 1.00 0.00 H new ATOM 0 HD13 ILE A 50 23.372 12.465 -24.326 1.00 0.00 H new ATOM 766 N ASN A 51 23.756 15.082 -19.793 1.00 0.00 N ATOM 767 CA ASN A 51 24.646 16.223 -19.613 1.00 0.00 C ATOM 768 C ASN A 51 24.958 16.442 -18.135 1.00 0.00 C ATOM 769 O ASN A 51 25.423 17.511 -17.740 1.00 0.00 O ATOM 770 CB ASN A 51 24.017 17.485 -20.206 1.00 0.00 C ATOM 771 CG ASN A 51 24.074 17.503 -21.721 1.00 0.00 C ATOM 772 OD1 ASN A 51 24.957 16.895 -22.327 1.00 0.00 O ATOM 773 ND2 ASN A 51 23.129 18.201 -22.340 1.00 0.00 N ATOM 0 H ASN A 51 22.765 15.322 -19.832 1.00 0.00 H new ATOM 0 HA ASN A 51 25.579 16.011 -20.135 1.00 0.00 H new ATOM 0 HB2 ASN A 51 22.978 17.556 -19.883 1.00 0.00 H new ATOM 0 HB3 ASN A 51 24.532 18.362 -19.815 1.00 0.00 H new ATOM 0 HD21 ASN A 51 23.115 18.249 -23.359 1.00 0.00 H new ATOM 0 HD22 ASN A 51 22.417 18.689 -21.797 1.00 0.00 H new ATOM 780 N LEU A 52 24.699 15.422 -17.324 1.00 0.00 N ATOM 781 CA LEU A 52 24.952 15.502 -15.890 1.00 0.00 C ATOM 782 C LEU A 52 26.366 15.034 -15.560 1.00 0.00 C ATOM 783 O LEU A 52 26.831 14.016 -16.073 1.00 0.00 O ATOM 784 CB LEU A 52 23.932 14.658 -15.124 1.00 0.00 C ATOM 785 CG LEU A 52 22.520 15.237 -15.026 1.00 0.00 C ATOM 786 CD1 LEU A 52 21.647 14.369 -14.134 1.00 0.00 C ATOM 787 CD2 LEU A 52 22.565 16.666 -14.504 1.00 0.00 C ATOM 0 H LEU A 52 24.314 14.530 -17.635 1.00 0.00 H new ATOM 0 HA LEU A 52 24.853 16.544 -15.586 1.00 0.00 H new ATOM 0 HB2 LEU A 52 23.870 13.679 -15.600 1.00 0.00 H new ATOM 0 HB3 LEU A 52 24.308 14.498 -14.114 1.00 0.00 H new ATOM 0 HG LEU A 52 22.083 15.249 -16.025 1.00 0.00 H new ATOM 0 HD11 LEU A 52 20.646 14.797 -14.077 1.00 0.00 H new ATOM 0 HD12 LEU A 52 21.588 13.363 -14.550 1.00 0.00 H new ATOM 0 HD13 LEU A 52 22.080 14.323 -13.135 1.00 0.00 H new ATOM 0 HD21 LEU A 52 21.552 17.062 -14.441 1.00 0.00 H new ATOM 0 HD22 LEU A 52 23.022 16.678 -13.514 1.00 0.00 H new ATOM 0 HD23 LEU A 52 23.154 17.283 -15.183 1.00 0.00 H new ATOM 799 N THR A 53 27.046 15.784 -14.698 1.00 0.00 N ATOM 800 CA THR A 53 28.406 15.446 -14.298 1.00 0.00 C ATOM 801 C THR A 53 28.590 15.600 -12.792 1.00 0.00 C ATOM 802 O THR A 53 27.753 16.195 -12.114 1.00 0.00 O ATOM 803 CB THR A 53 29.441 16.326 -15.023 1.00 0.00 C ATOM 804 OG1 THR A 53 29.331 17.681 -14.574 1.00 0.00 O ATOM 805 CG2 THR A 53 29.239 16.268 -16.530 1.00 0.00 C ATOM 0 H THR A 53 26.677 16.630 -14.264 1.00 0.00 H new ATOM 0 HA THR A 53 28.568 14.405 -14.577 1.00 0.00 H new ATOM 0 HB THR A 53 30.436 15.946 -14.791 1.00 0.00 H new ATOM 0 HG1 THR A 53 28.412 17.995 -14.703 1.00 0.00 H new ATOM 0 HG21 THR A 53 29.981 16.897 -17.021 1.00 0.00 H new ATOM 0 HG22 THR A 53 29.351 15.239 -16.873 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.240 16.626 -16.777 1.00 0.00 H new ATOM 813 N GLN A 54 29.691 15.061 -12.277 1.00 0.00 N ATOM 814 CA GLN A 54 29.984 15.140 -10.851 1.00 0.00 C ATOM 815 C GLN A 54 29.879 16.578 -10.353 1.00 0.00 C ATOM 816 O GLN A 54 29.443 16.824 -9.229 1.00 0.00 O ATOM 817 CB GLN A 54 31.382 14.590 -10.565 1.00 0.00 C ATOM 818 CG GLN A 54 31.552 14.067 -9.148 1.00 0.00 C ATOM 819 CD GLN A 54 32.570 12.948 -9.056 1.00 0.00 C ATOM 820 OE1 GLN A 54 32.271 11.858 -8.568 1.00 0.00 O ATOM 821 NE2 GLN A 54 33.783 13.212 -9.528 1.00 0.00 N ATOM 0 H GLN A 54 30.394 14.566 -12.826 1.00 0.00 H new ATOM 0 HA GLN A 54 29.248 14.536 -10.320 1.00 0.00 H new ATOM 0 HB2 GLN A 54 31.598 13.786 -11.268 1.00 0.00 H new ATOM 0 HB3 GLN A 54 32.116 15.376 -10.744 1.00 0.00 H new ATOM 0 HG2 GLN A 54 31.858 14.886 -8.497 1.00 0.00 H new ATOM 0 HG3 GLN A 54 30.591 13.709 -8.779 1.00 0.00 H new ATOM 0 HE21 GLN A 54 33.988 14.129 -9.924 1.00 0.00 H new ATOM 0 HE22 GLN A 54 34.510 12.497 -9.494 1.00 0.00 H new ATOM 830 N GLU A 55 30.282 17.523 -11.196 1.00 0.00 N ATOM 831 CA GLU A 55 30.233 18.936 -10.840 1.00 0.00 C ATOM 832 C GLU A 55 28.792 19.396 -10.638 1.00 0.00 C ATOM 833 O GLU A 55 28.533 20.367 -9.927 1.00 0.00 O ATOM 834 CB GLU A 55 30.902 19.782 -11.925 1.00 0.00 C ATOM 835 CG GLU A 55 29.939 20.280 -12.989 1.00 0.00 C ATOM 836 CD GLU A 55 30.599 20.438 -14.345 1.00 0.00 C ATOM 837 OE1 GLU A 55 31.646 19.795 -14.573 1.00 0.00 O ATOM 838 OE2 GLU A 55 30.070 21.203 -15.178 1.00 0.00 O ATOM 0 H GLU A 55 30.646 17.336 -12.130 1.00 0.00 H new ATOM 0 HA GLU A 55 30.773 19.067 -9.903 1.00 0.00 H new ATOM 0 HB2 GLU A 55 31.388 20.638 -11.458 1.00 0.00 H new ATOM 0 HB3 GLU A 55 31.685 19.192 -12.403 1.00 0.00 H new ATOM 0 HG2 GLU A 55 29.105 19.583 -13.074 1.00 0.00 H new ATOM 0 HG3 GLU A 55 29.523 21.238 -12.678 1.00 0.00 H new ATOM 845 N ASP A 56 27.858 18.692 -11.269 1.00 0.00 N ATOM 846 CA ASP A 56 26.443 19.027 -11.159 1.00 0.00 C ATOM 847 C ASP A 56 25.884 18.585 -9.810 1.00 0.00 C ATOM 848 O ASP A 56 24.866 19.102 -9.349 1.00 0.00 O ATOM 849 CB ASP A 56 25.653 18.372 -12.293 1.00 0.00 C ATOM 850 CG ASP A 56 25.990 18.960 -13.649 1.00 0.00 C ATOM 851 OD1 ASP A 56 27.166 18.869 -14.059 1.00 0.00 O ATOM 852 OD2 ASP A 56 25.078 19.513 -14.299 1.00 0.00 O ATOM 0 H ASP A 56 28.056 17.886 -11.862 1.00 0.00 H new ATOM 0 HA ASP A 56 26.343 20.110 -11.236 1.00 0.00 H new ATOM 0 HB2 ASP A 56 25.858 17.302 -12.303 1.00 0.00 H new ATOM 0 HB3 ASP A 56 24.586 18.490 -12.104 1.00 0.00 H new ATOM 857 N PHE A 57 26.554 17.624 -9.183 1.00 0.00 N ATOM 858 CA PHE A 57 26.124 17.111 -7.888 1.00 0.00 C ATOM 859 C PHE A 57 26.474 18.091 -6.771 1.00 0.00 C ATOM 860 O PHE A 57 25.613 18.493 -5.989 1.00 0.00 O ATOM 861 CB PHE A 57 26.771 15.753 -7.612 1.00 0.00 C ATOM 862 CG PHE A 57 26.214 14.641 -8.454 1.00 0.00 C ATOM 863 CD1 PHE A 57 26.594 14.500 -9.779 1.00 0.00 C ATOM 864 CD2 PHE A 57 25.310 13.737 -7.921 1.00 0.00 C ATOM 865 CE1 PHE A 57 26.082 13.478 -10.556 1.00 0.00 C ATOM 866 CE2 PHE A 57 24.795 12.712 -8.693 1.00 0.00 C ATOM 867 CZ PHE A 57 25.182 12.583 -10.012 1.00 0.00 C ATOM 0 H PHE A 57 27.398 17.185 -9.551 1.00 0.00 H new ATOM 0 HA PHE A 57 25.041 16.990 -7.915 1.00 0.00 H new ATOM 0 HB2 PHE A 57 27.844 15.828 -7.788 1.00 0.00 H new ATOM 0 HB3 PHE A 57 26.637 15.503 -6.560 1.00 0.00 H new ATOM 0 HD1 PHE A 57 27.298 15.197 -10.209 1.00 0.00 H new ATOM 0 HD2 PHE A 57 25.004 13.834 -6.890 1.00 0.00 H new ATOM 0 HE1 PHE A 57 26.386 13.379 -11.588 1.00 0.00 H new ATOM 0 HE2 PHE A 57 24.091 12.014 -8.265 1.00 0.00 H new ATOM 0 HZ PHE A 57 24.781 11.783 -10.617 1.00 0.00 H new ATOM 877 N LYS A 58 27.746 18.470 -6.703 1.00 0.00 N ATOM 878 CA LYS A 58 28.213 19.403 -5.684 1.00 0.00 C ATOM 879 C LYS A 58 27.217 20.542 -5.492 1.00 0.00 C ATOM 880 O LYS A 58 27.150 21.148 -4.422 1.00 0.00 O ATOM 881 CB LYS A 58 29.582 19.968 -6.070 1.00 0.00 C ATOM 882 CG LYS A 58 29.647 20.483 -7.497 1.00 0.00 C ATOM 883 CD LYS A 58 30.638 21.627 -7.632 1.00 0.00 C ATOM 884 CE LYS A 58 32.074 21.130 -7.579 1.00 0.00 C ATOM 885 NZ LYS A 58 32.562 20.700 -8.918 1.00 0.00 N ATOM 0 H LYS A 58 28.472 18.145 -7.342 1.00 0.00 H new ATOM 0 HA LYS A 58 28.303 18.860 -4.743 1.00 0.00 H new ATOM 0 HB2 LYS A 58 29.836 20.779 -5.388 1.00 0.00 H new ATOM 0 HB3 LYS A 58 30.336 19.192 -5.938 1.00 0.00 H new ATOM 0 HG2 LYS A 58 29.934 19.671 -8.165 1.00 0.00 H new ATOM 0 HG3 LYS A 58 28.658 20.818 -7.809 1.00 0.00 H new ATOM 0 HD2 LYS A 58 30.467 22.149 -8.574 1.00 0.00 H new ATOM 0 HD3 LYS A 58 30.472 22.349 -6.833 1.00 0.00 H new ATOM 0 HE2 LYS A 58 32.718 21.921 -7.195 1.00 0.00 H new ATOM 0 HE3 LYS A 58 32.144 20.295 -6.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 33.553 20.992 -9.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 32.494 19.665 -8.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 31.980 21.142 -9.658 1.00 0.00 H new ATOM 899 N LYS A 59 26.443 20.828 -6.534 1.00 0.00 N ATOM 900 CA LYS A 59 25.448 21.892 -6.479 1.00 0.00 C ATOM 901 C LYS A 59 24.066 21.364 -6.851 1.00 0.00 C ATOM 902 O LYS A 59 23.922 20.291 -7.435 1.00 0.00 O ATOM 903 CB LYS A 59 25.840 23.033 -7.420 1.00 0.00 C ATOM 904 CG LYS A 59 26.712 22.591 -8.582 1.00 0.00 C ATOM 905 CD LYS A 59 26.627 23.565 -9.746 1.00 0.00 C ATOM 906 CE LYS A 59 26.936 22.881 -11.069 1.00 0.00 C ATOM 907 NZ LYS A 59 27.366 23.855 -12.110 1.00 0.00 N ATOM 0 H LYS A 59 26.486 20.337 -7.427 1.00 0.00 H new ATOM 0 HA LYS A 59 25.411 22.269 -5.457 1.00 0.00 H new ATOM 0 HB2 LYS A 59 24.935 23.497 -7.812 1.00 0.00 H new ATOM 0 HB3 LYS A 59 26.369 23.797 -6.850 1.00 0.00 H new ATOM 0 HG2 LYS A 59 27.747 22.509 -8.250 1.00 0.00 H new ATOM 0 HG3 LYS A 59 26.403 21.599 -8.913 1.00 0.00 H new ATOM 0 HD2 LYS A 59 25.629 24.001 -9.785 1.00 0.00 H new ATOM 0 HD3 LYS A 59 27.327 24.385 -9.587 1.00 0.00 H new ATOM 0 HE2 LYS A 59 27.720 22.139 -10.920 1.00 0.00 H new ATOM 0 HE3 LYS A 59 26.052 22.345 -11.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 27.567 23.350 -12.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 26.608 24.548 -12.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 28.224 24.348 -11.791 1.00 0.00 H new ATOM 921 N PRO A 60 23.024 22.136 -6.506 1.00 0.00 N ATOM 922 CA PRO A 60 21.636 21.767 -6.795 1.00 0.00 C ATOM 923 C PRO A 60 21.317 21.833 -8.285 1.00 0.00 C ATOM 924 O PRO A 60 22.071 22.393 -9.081 1.00 0.00 O ATOM 925 CB PRO A 60 20.823 22.813 -6.028 1.00 0.00 C ATOM 926 CG PRO A 60 21.731 23.989 -5.913 1.00 0.00 C ATOM 927 CD PRO A 60 23.123 23.429 -5.807 1.00 0.00 C ATOM 0 HA PRO A 60 21.418 20.740 -6.502 1.00 0.00 H new ATOM 0 HB2 PRO A 60 19.907 23.071 -6.560 1.00 0.00 H new ATOM 0 HB3 PRO A 60 20.528 22.443 -5.046 1.00 0.00 H new ATOM 0 HG2 PRO A 60 21.638 24.640 -6.782 1.00 0.00 H new ATOM 0 HG3 PRO A 60 21.484 24.589 -5.037 1.00 0.00 H new ATOM 0 HD2 PRO A 60 23.857 24.084 -6.276 1.00 0.00 H new ATOM 0 HD3 PRO A 60 23.427 23.302 -4.768 1.00 0.00 H new ATOM 935 N PRO A 61 20.173 21.250 -8.673 1.00 0.00 N ATOM 936 CA PRO A 61 19.268 20.580 -7.734 1.00 0.00 C ATOM 937 C PRO A 61 19.858 19.285 -7.185 1.00 0.00 C ATOM 938 O PRO A 61 19.658 18.945 -6.018 1.00 0.00 O ATOM 939 CB PRO A 61 18.030 20.286 -8.583 1.00 0.00 C ATOM 940 CG PRO A 61 18.537 20.219 -9.983 1.00 0.00 C ATOM 941 CD PRO A 61 19.675 21.199 -10.058 1.00 0.00 C ATOM 0 HA PRO A 61 19.063 21.194 -6.857 1.00 0.00 H new ATOM 0 HB2 PRO A 61 17.561 19.348 -8.287 1.00 0.00 H new ATOM 0 HB3 PRO A 61 17.279 21.068 -8.471 1.00 0.00 H new ATOM 0 HG2 PRO A 61 18.873 19.212 -10.229 1.00 0.00 H new ATOM 0 HG3 PRO A 61 17.753 20.476 -10.695 1.00 0.00 H new ATOM 0 HD2 PRO A 61 20.448 20.865 -10.751 1.00 0.00 H new ATOM 0 HD3 PRO A 61 19.340 22.178 -10.401 1.00 0.00 H new ATOM 949 N LEU A 62 20.584 18.565 -8.033 1.00 0.00 N ATOM 950 CA LEU A 62 21.204 17.307 -7.632 1.00 0.00 C ATOM 951 C LEU A 62 22.248 17.537 -6.544 1.00 0.00 C ATOM 952 O LEU A 62 23.373 17.951 -6.826 1.00 0.00 O ATOM 953 CB LEU A 62 21.851 16.627 -8.840 1.00 0.00 C ATOM 954 CG LEU A 62 20.947 16.414 -10.055 1.00 0.00 C ATOM 955 CD1 LEU A 62 21.760 16.452 -11.339 1.00 0.00 C ATOM 956 CD2 LEU A 62 20.195 15.096 -9.936 1.00 0.00 C ATOM 0 H LEU A 62 20.758 18.831 -9.002 1.00 0.00 H new ATOM 0 HA LEU A 62 20.425 16.658 -7.231 1.00 0.00 H new ATOM 0 HB2 LEU A 62 22.709 17.223 -9.151 1.00 0.00 H new ATOM 0 HB3 LEU A 62 22.235 15.657 -8.523 1.00 0.00 H new ATOM 0 HG LEU A 62 20.218 17.224 -10.087 1.00 0.00 H new ATOM 0 HD11 LEU A 62 21.100 16.299 -12.192 1.00 0.00 H new ATOM 0 HD12 LEU A 62 22.251 17.421 -11.430 1.00 0.00 H new ATOM 0 HD13 LEU A 62 22.513 15.664 -11.316 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.557 14.961 -10.809 1.00 0.00 H new ATOM 0 HD22 LEU A 62 20.908 14.274 -9.878 1.00 0.00 H new ATOM 0 HD23 LEU A 62 19.581 15.108 -9.036 1.00 0.00 H new ATOM 968 N TYR A 63 21.869 17.264 -5.301 1.00 0.00 N ATOM 969 CA TYR A 63 22.772 17.440 -4.170 1.00 0.00 C ATOM 970 C TYR A 63 22.411 16.493 -3.030 1.00 0.00 C ATOM 971 O TYR A 63 21.263 16.447 -2.587 1.00 0.00 O ATOM 972 CB TYR A 63 22.730 18.888 -3.678 1.00 0.00 C ATOM 973 CG TYR A 63 23.741 19.189 -2.594 1.00 0.00 C ATOM 974 CD1 TYR A 63 25.104 19.082 -2.840 1.00 0.00 C ATOM 975 CD2 TYR A 63 23.333 19.579 -1.325 1.00 0.00 C ATOM 976 CE1 TYR A 63 26.032 19.356 -1.854 1.00 0.00 C ATOM 977 CE2 TYR A 63 24.253 19.855 -0.332 1.00 0.00 C ATOM 978 CZ TYR A 63 25.601 19.742 -0.601 1.00 0.00 C ATOM 979 OH TYR A 63 26.521 20.016 0.385 1.00 0.00 O ATOM 0 H TYR A 63 20.942 16.920 -5.051 1.00 0.00 H new ATOM 0 HA TYR A 63 23.782 17.206 -4.505 1.00 0.00 H new ATOM 0 HB2 TYR A 63 22.905 19.555 -4.522 1.00 0.00 H new ATOM 0 HB3 TYR A 63 21.731 19.106 -3.302 1.00 0.00 H new ATOM 0 HD1 TYR A 63 25.444 18.779 -3.819 1.00 0.00 H new ATOM 0 HD2 TYR A 63 22.278 19.668 -1.111 1.00 0.00 H new ATOM 0 HE1 TYR A 63 27.088 19.269 -2.062 1.00 0.00 H new ATOM 0 HE2 TYR A 63 23.919 20.158 0.649 1.00 0.00 H new ATOM 0 HH TYR A 63 26.053 20.275 1.206 1.00 0.00 H new ATOM 989 N ARG A 64 23.398 15.738 -2.561 1.00 0.00 N ATOM 990 CA ARG A 64 23.185 14.789 -1.475 1.00 0.00 C ATOM 991 C ARG A 64 21.885 14.016 -1.675 1.00 0.00 C ATOM 992 O ARG A 64 21.199 13.673 -0.712 1.00 0.00 O ATOM 993 CB ARG A 64 23.155 15.519 -0.131 1.00 0.00 C ATOM 994 CG ARG A 64 24.230 16.585 0.008 1.00 0.00 C ATOM 995 CD ARG A 64 25.597 16.053 -0.392 1.00 0.00 C ATOM 996 NE ARG A 64 26.179 15.206 0.646 1.00 0.00 N ATOM 997 CZ ARG A 64 27.420 14.734 0.598 1.00 0.00 C ATOM 998 NH1 ARG A 64 28.205 15.025 -0.430 1.00 0.00 N ATOM 999 NH2 ARG A 64 27.878 13.970 1.581 1.00 0.00 N ATOM 0 H ARG A 64 24.354 15.765 -2.916 1.00 0.00 H new ATOM 0 HA ARG A 64 24.013 14.080 -1.478 1.00 0.00 H new ATOM 0 HB2 ARG A 64 22.177 15.982 -0.001 1.00 0.00 H new ATOM 0 HB3 ARG A 64 23.272 14.790 0.671 1.00 0.00 H new ATOM 0 HG2 ARG A 64 23.976 17.443 -0.615 1.00 0.00 H new ATOM 0 HG3 ARG A 64 24.263 16.938 1.039 1.00 0.00 H new ATOM 0 HD2 ARG A 64 25.508 15.484 -1.317 1.00 0.00 H new ATOM 0 HD3 ARG A 64 26.266 16.889 -0.595 1.00 0.00 H new ATOM 0 HE ARG A 64 25.602 14.964 1.451 1.00 0.00 H new ATOM 0 HH11 ARG A 64 27.857 15.613 -1.187 1.00 0.00 H new ATOM 0 HH12 ARG A 64 29.157 14.661 -0.464 1.00 0.00 H new ATOM 0 HH21 ARG A 64 27.277 13.745 2.374 1.00 0.00 H new ATOM 0 HH22 ARG A 64 28.831 13.608 1.544 1.00 0.00 H new ATOM 1013 N VAL A 65 21.551 13.745 -2.933 1.00 0.00 N ATOM 1014 CA VAL A 65 20.335 13.012 -3.260 1.00 0.00 C ATOM 1015 C VAL A 65 20.480 11.531 -2.929 1.00 0.00 C ATOM 1016 O VAL A 65 19.545 10.899 -2.437 1.00 0.00 O ATOM 1017 CB VAL A 65 19.974 13.160 -4.750 1.00 0.00 C ATOM 1018 CG1 VAL A 65 18.609 12.551 -5.032 1.00 0.00 C ATOM 1019 CG2 VAL A 65 20.009 14.623 -5.164 1.00 0.00 C ATOM 0 H VAL A 65 22.106 14.023 -3.742 1.00 0.00 H new ATOM 0 HA VAL A 65 19.535 13.440 -2.655 1.00 0.00 H new ATOM 0 HB VAL A 65 20.715 12.621 -5.340 1.00 0.00 H new ATOM 0 HG11 VAL A 65 18.371 12.665 -6.090 1.00 0.00 H new ATOM 0 HG12 VAL A 65 18.623 11.492 -4.775 1.00 0.00 H new ATOM 0 HG13 VAL A 65 17.853 13.059 -4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 65 19.751 14.709 -6.220 1.00 0.00 H new ATOM 0 HG22 VAL A 65 19.291 15.187 -4.568 1.00 0.00 H new ATOM 0 HG23 VAL A 65 21.010 15.023 -5.001 1.00 0.00 H new ATOM 1029 N SER A 66 21.660 10.982 -3.201 1.00 0.00 N ATOM 1030 CA SER A 66 21.928 9.574 -2.934 1.00 0.00 C ATOM 1031 C SER A 66 23.220 9.407 -2.142 1.00 0.00 C ATOM 1032 O SER A 66 24.145 10.210 -2.265 1.00 0.00 O ATOM 1033 CB SER A 66 22.016 8.792 -4.247 1.00 0.00 C ATOM 1034 OG SER A 66 22.188 7.407 -4.005 1.00 0.00 O ATOM 0 H SER A 66 22.445 11.491 -3.606 1.00 0.00 H new ATOM 0 HA SER A 66 21.105 9.180 -2.339 1.00 0.00 H new ATOM 0 HB2 SER A 66 21.110 8.953 -4.831 1.00 0.00 H new ATOM 0 HB3 SER A 66 22.849 9.167 -4.842 1.00 0.00 H new ATOM 0 HG SER A 66 21.411 6.916 -4.345 1.00 0.00 H new ATOM 1040 N SER A 67 23.277 8.357 -1.328 1.00 0.00 N ATOM 1041 CA SER A 67 24.455 8.085 -0.512 1.00 0.00 C ATOM 1042 C SER A 67 25.544 7.409 -1.339 1.00 0.00 C ATOM 1043 O SER A 67 26.224 6.499 -0.864 1.00 0.00 O ATOM 1044 CB SER A 67 24.082 7.203 0.681 1.00 0.00 C ATOM 1045 OG SER A 67 23.624 7.985 1.770 1.00 0.00 O ATOM 0 H SER A 67 22.521 7.681 -1.216 1.00 0.00 H new ATOM 0 HA SER A 67 24.840 9.036 -0.145 1.00 0.00 H new ATOM 0 HB2 SER A 67 23.307 6.496 0.386 1.00 0.00 H new ATOM 0 HB3 SER A 67 24.948 6.617 0.989 1.00 0.00 H new ATOM 0 HG SER A 67 23.390 7.398 2.519 1.00 0.00 H new ATOM 1051 N ASP A 68 25.703 7.861 -2.578 1.00 0.00 N ATOM 1052 CA ASP A 68 26.710 7.301 -3.472 1.00 0.00 C ATOM 1053 C ASP A 68 27.530 8.408 -4.127 1.00 0.00 C ATOM 1054 O ASP A 68 28.217 8.179 -5.122 1.00 0.00 O ATOM 1055 CB ASP A 68 26.047 6.437 -4.546 1.00 0.00 C ATOM 1056 CG ASP A 68 25.365 5.214 -3.965 1.00 0.00 C ATOM 1057 OD1 ASP A 68 24.242 5.354 -3.437 1.00 0.00 O ATOM 1058 OD2 ASP A 68 25.955 4.116 -4.039 1.00 0.00 O ATOM 0 H ASP A 68 25.148 8.613 -2.986 1.00 0.00 H new ATOM 0 HA ASP A 68 27.380 6.678 -2.879 1.00 0.00 H new ATOM 0 HB2 ASP A 68 25.314 7.035 -5.088 1.00 0.00 H new ATOM 0 HB3 ASP A 68 26.799 6.121 -5.269 1.00 0.00 H new ATOM 1063 N ASN A 69 27.453 9.609 -3.563 1.00 0.00 N ATOM 1064 CA ASN A 69 28.185 10.752 -4.094 1.00 0.00 C ATOM 1065 C ASN A 69 27.922 10.920 -5.587 1.00 0.00 C ATOM 1066 O ASN A 69 28.766 11.430 -6.323 1.00 0.00 O ATOM 1067 CB ASN A 69 29.685 10.584 -3.845 1.00 0.00 C ATOM 1068 CG ASN A 69 30.415 11.912 -3.793 1.00 0.00 C ATOM 1069 OD1 ASN A 69 31.217 12.228 -4.672 1.00 0.00 O ATOM 1070 ND2 ASN A 69 30.140 12.698 -2.758 1.00 0.00 N ATOM 0 H ASN A 69 26.890 9.815 -2.738 1.00 0.00 H new ATOM 0 HA ASN A 69 27.836 11.647 -3.578 1.00 0.00 H new ATOM 0 HB2 ASN A 69 29.837 10.052 -2.906 1.00 0.00 H new ATOM 0 HB3 ASN A 69 30.115 9.967 -4.634 1.00 0.00 H new ATOM 0 HD21 ASN A 69 30.601 13.604 -2.669 1.00 0.00 H new ATOM 0 HD22 ASN A 69 29.468 12.396 -2.052 1.00 0.00 H new ATOM 1077 N GLY A 70 26.745 10.488 -6.028 1.00 0.00 N ATOM 1078 CA GLY A 70 26.391 10.600 -7.431 1.00 0.00 C ATOM 1079 C GLY A 70 26.938 9.455 -8.260 1.00 0.00 C ATOM 1080 O GLY A 70 26.361 9.091 -9.284 1.00 0.00 O ATOM 0 H GLY A 70 26.030 10.062 -5.439 1.00 0.00 H new ATOM 0 HA2 GLY A 70 25.306 10.628 -7.528 1.00 0.00 H new ATOM 0 HA3 GLY A 70 26.771 11.543 -7.824 1.00 0.00 H new ATOM 1084 N GLN A 71 28.055 8.887 -7.817 1.00 0.00 N ATOM 1085 CA GLN A 71 28.681 7.778 -8.528 1.00 0.00 C ATOM 1086 C GLN A 71 27.630 6.889 -9.184 1.00 0.00 C ATOM 1087 O GLN A 71 27.592 6.757 -10.408 1.00 0.00 O ATOM 1088 CB GLN A 71 29.540 6.950 -7.570 1.00 0.00 C ATOM 1089 CG GLN A 71 29.928 5.589 -8.123 1.00 0.00 C ATOM 1090 CD GLN A 71 28.745 4.649 -8.244 1.00 0.00 C ATOM 1091 OE1 GLN A 71 28.546 4.098 -9.435 1.00 0.00 O flip ATOM 1092 NE2 GLN A 71 28.017 4.420 -7.277 1.00 0.00 N flip ATOM 0 H GLN A 71 28.545 9.176 -6.970 1.00 0.00 H new ATOM 0 HA GLN A 71 29.318 8.194 -9.309 1.00 0.00 H new ATOM 0 HB2 GLN A 71 30.446 7.508 -7.333 1.00 0.00 H new ATOM 0 HB3 GLN A 71 28.997 6.812 -6.635 1.00 0.00 H new ATOM 0 HG2 GLN A 71 30.387 5.717 -9.103 1.00 0.00 H new ATOM 0 HG3 GLN A 71 30.680 5.139 -7.475 1.00 0.00 H new ATOM 0 HE21 GLN A 71 28.207 4.865 -6.379 1.00 0.00 H new ATOM 0 HE22 GLN A 71 27.225 3.785 -7.374 1.00 0.00 H new ATOM 1101 N ARG A 72 26.780 6.282 -8.364 1.00 0.00 N ATOM 1102 CA ARG A 72 25.730 5.403 -8.865 1.00 0.00 C ATOM 1103 C ARG A 72 25.104 5.973 -10.134 1.00 0.00 C ATOM 1104 O ARG A 72 25.189 5.371 -11.206 1.00 0.00 O ATOM 1105 CB ARG A 72 24.651 5.202 -7.798 1.00 0.00 C ATOM 1106 CG ARG A 72 23.511 4.303 -8.247 1.00 0.00 C ATOM 1107 CD ARG A 72 22.794 3.678 -7.061 1.00 0.00 C ATOM 1108 NE ARG A 72 23.647 2.736 -6.340 1.00 0.00 N ATOM 1109 CZ ARG A 72 23.875 1.492 -6.746 1.00 0.00 C ATOM 1110 NH1 ARG A 72 23.317 1.042 -7.861 1.00 0.00 N ATOM 1111 NH2 ARG A 72 24.663 0.695 -6.036 1.00 0.00 N ATOM 0 H ARG A 72 26.797 6.382 -7.349 1.00 0.00 H new ATOM 0 HA ARG A 72 26.181 4.439 -9.103 1.00 0.00 H new ATOM 0 HB2 ARG A 72 25.109 4.775 -6.906 1.00 0.00 H new ATOM 0 HB3 ARG A 72 24.246 6.174 -7.515 1.00 0.00 H new ATOM 0 HG2 ARG A 72 22.802 4.881 -8.839 1.00 0.00 H new ATOM 0 HG3 ARG A 72 23.900 3.517 -8.894 1.00 0.00 H new ATOM 0 HD2 ARG A 72 22.466 4.464 -6.381 1.00 0.00 H new ATOM 0 HD3 ARG A 72 21.899 3.163 -7.409 1.00 0.00 H new ATOM 0 HE ARG A 72 24.092 3.051 -5.478 1.00 0.00 H new ATOM 0 HH11 ARG A 72 22.711 1.652 -8.410 1.00 0.00 H new ATOM 0 HH12 ARG A 72 23.494 0.086 -8.170 1.00 0.00 H new ATOM 0 HH21 ARG A 72 25.094 1.037 -5.177 1.00 0.00 H new ATOM 0 HH22 ARG A 72 24.837 -0.260 -6.349 1.00 0.00 H new ATOM 1125 N LEU A 73 24.475 7.136 -10.007 1.00 0.00 N ATOM 1126 CA LEU A 73 23.833 7.787 -11.144 1.00 0.00 C ATOM 1127 C LEU A 73 24.827 8.004 -12.280 1.00 0.00 C ATOM 1128 O LEU A 73 24.635 7.506 -13.391 1.00 0.00 O ATOM 1129 CB LEU A 73 23.231 9.127 -10.716 1.00 0.00 C ATOM 1130 CG LEU A 73 22.390 9.851 -11.768 1.00 0.00 C ATOM 1131 CD1 LEU A 73 21.251 8.964 -12.245 1.00 0.00 C ATOM 1132 CD2 LEU A 73 21.852 11.161 -11.211 1.00 0.00 C ATOM 0 H LEU A 73 24.396 7.648 -9.128 1.00 0.00 H new ATOM 0 HA LEU A 73 23.037 7.135 -11.502 1.00 0.00 H new ATOM 0 HB2 LEU A 73 22.610 8.959 -9.836 1.00 0.00 H new ATOM 0 HB3 LEU A 73 24.043 9.787 -10.412 1.00 0.00 H new ATOM 0 HG LEU A 73 23.028 10.077 -12.622 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.664 9.497 -12.993 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.658 8.053 -12.684 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.613 8.705 -11.400 1.00 0.00 H new ATOM 0 HD21 LEU A 73 21.256 11.663 -11.973 1.00 0.00 H new ATOM 0 HD22 LEU A 73 21.230 10.958 -10.339 1.00 0.00 H new ATOM 0 HD23 LEU A 73 22.684 11.802 -10.921 1.00 0.00 H new ATOM 1144 N LEU A 74 25.890 8.748 -11.996 1.00 0.00 N ATOM 1145 CA LEU A 74 26.917 9.029 -12.993 1.00 0.00 C ATOM 1146 C LEU A 74 27.243 7.781 -13.807 1.00 0.00 C ATOM 1147 O LEU A 74 27.412 7.847 -15.024 1.00 0.00 O ATOM 1148 CB LEU A 74 28.183 9.556 -12.317 1.00 0.00 C ATOM 1149 CG LEU A 74 28.169 11.034 -11.923 1.00 0.00 C ATOM 1150 CD1 LEU A 74 29.472 11.417 -11.240 1.00 0.00 C ATOM 1151 CD2 LEU A 74 27.927 11.909 -13.144 1.00 0.00 C ATOM 0 H LEU A 74 26.063 9.168 -11.083 1.00 0.00 H new ATOM 0 HA LEU A 74 26.531 9.791 -13.670 1.00 0.00 H new ATOM 0 HB2 LEU A 74 28.365 8.963 -11.420 1.00 0.00 H new ATOM 0 HB3 LEU A 74 29.026 9.387 -12.987 1.00 0.00 H new ATOM 0 HG LEU A 74 27.353 11.195 -11.218 1.00 0.00 H new ATOM 0 HD11 LEU A 74 29.443 12.472 -10.967 1.00 0.00 H new ATOM 0 HD12 LEU A 74 29.603 10.813 -10.342 1.00 0.00 H new ATOM 0 HD13 LEU A 74 30.305 11.241 -11.921 1.00 0.00 H new ATOM 0 HD21 LEU A 74 27.920 12.957 -12.845 1.00 0.00 H new ATOM 0 HD22 LEU A 74 28.721 11.745 -13.873 1.00 0.00 H new ATOM 0 HD23 LEU A 74 26.966 11.653 -13.590 1.00 0.00 H new ATOM 1163 N ASP A 75 27.327 6.643 -13.126 1.00 0.00 N ATOM 1164 CA ASP A 75 27.628 5.378 -13.785 1.00 0.00 C ATOM 1165 C ASP A 75 26.477 4.948 -14.689 1.00 0.00 C ATOM 1166 O ASP A 75 26.694 4.488 -15.810 1.00 0.00 O ATOM 1167 CB ASP A 75 27.910 4.291 -12.746 1.00 0.00 C ATOM 1168 CG ASP A 75 28.896 3.253 -13.246 1.00 0.00 C ATOM 1169 OD1 ASP A 75 28.578 2.563 -14.237 1.00 0.00 O ATOM 1170 OD2 ASP A 75 29.985 3.132 -12.647 1.00 0.00 O ATOM 0 H ASP A 75 27.191 6.571 -12.118 1.00 0.00 H new ATOM 0 HA ASP A 75 28.516 5.520 -14.401 1.00 0.00 H new ATOM 0 HB2 ASP A 75 28.301 4.752 -11.839 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.975 3.799 -12.476 1.00 0.00 H new ATOM 1175 N MET A 76 25.253 5.101 -14.193 1.00 0.00 N ATOM 1176 CA MET A 76 24.068 4.729 -14.957 1.00 0.00 C ATOM 1177 C MET A 76 23.932 5.595 -16.205 1.00 0.00 C ATOM 1178 O MET A 76 23.405 5.151 -17.226 1.00 0.00 O ATOM 1179 CB MET A 76 22.814 4.862 -14.090 1.00 0.00 C ATOM 1180 CG MET A 76 22.642 3.728 -13.093 1.00 0.00 C ATOM 1181 SD MET A 76 22.721 2.103 -13.869 1.00 0.00 S ATOM 1182 CE MET A 76 21.287 2.168 -14.940 1.00 0.00 C ATOM 0 H MET A 76 25.056 5.480 -13.267 1.00 0.00 H new ATOM 0 HA MET A 76 24.178 3.690 -15.268 1.00 0.00 H new ATOM 0 HB2 MET A 76 22.855 5.807 -13.549 1.00 0.00 H new ATOM 0 HB3 MET A 76 21.938 4.902 -14.737 1.00 0.00 H new ATOM 0 HG2 MET A 76 23.417 3.800 -12.330 1.00 0.00 H new ATOM 0 HG3 MET A 76 21.684 3.838 -12.586 1.00 0.00 H new ATOM 0 HE1 MET A 76 20.893 1.162 -15.082 1.00 0.00 H new ATOM 0 HE2 MET A 76 20.521 2.796 -14.485 1.00 0.00 H new ATOM 0 HE3 MET A 76 21.573 2.586 -15.905 1.00 0.00 H new ATOM 1192 N ILE A 77 24.409 6.832 -16.117 1.00 0.00 N ATOM 1193 CA ILE A 77 24.341 7.759 -17.240 1.00 0.00 C ATOM 1194 C ILE A 77 25.540 7.590 -18.167 1.00 0.00 C ATOM 1195 O ILE A 77 25.410 7.679 -19.387 1.00 0.00 O ATOM 1196 CB ILE A 77 24.280 9.221 -16.760 1.00 0.00 C ATOM 1197 CG1 ILE A 77 23.105 9.417 -15.799 1.00 0.00 C ATOM 1198 CG2 ILE A 77 24.163 10.164 -17.948 1.00 0.00 C ATOM 1199 CD1 ILE A 77 23.064 10.791 -15.167 1.00 0.00 C ATOM 0 H ILE A 77 24.847 7.216 -15.279 1.00 0.00 H new ATOM 0 HA ILE A 77 23.427 7.526 -17.786 1.00 0.00 H new ATOM 0 HB ILE A 77 25.203 9.452 -16.227 1.00 0.00 H new ATOM 0 HG12 ILE A 77 22.173 9.246 -16.338 1.00 0.00 H new ATOM 0 HG13 ILE A 77 23.161 8.665 -15.012 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.121 11.194 -17.593 1.00 0.00 H new ATOM 0 HG22 ILE A 77 25.029 10.040 -18.598 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.255 9.935 -18.506 1.00 0.00 H new ATOM 0 HD11 ILE A 77 22.206 10.858 -14.498 1.00 0.00 H new ATOM 0 HD12 ILE A 77 23.980 10.958 -14.600 1.00 0.00 H new ATOM 0 HD13 ILE A 77 22.977 11.548 -15.947 1.00 0.00 H new ATOM 1211 N GLU A 78 26.706 7.342 -17.578 1.00 0.00 N ATOM 1212 CA GLU A 78 27.927 7.158 -18.352 1.00 0.00 C ATOM 1213 C GLU A 78 27.715 6.141 -19.470 1.00 0.00 C ATOM 1214 O GLU A 78 28.303 6.250 -20.546 1.00 0.00 O ATOM 1215 CB GLU A 78 29.070 6.700 -17.442 1.00 0.00 C ATOM 1216 CG GLU A 78 30.441 7.153 -17.914 1.00 0.00 C ATOM 1217 CD GLU A 78 31.549 6.219 -17.467 1.00 0.00 C ATOM 1218 OE1 GLU A 78 32.085 6.421 -16.358 1.00 0.00 O ATOM 1219 OE2 GLU A 78 31.880 5.285 -18.228 1.00 0.00 O ATOM 0 H GLU A 78 26.830 7.264 -16.569 1.00 0.00 H new ATOM 0 HA GLU A 78 28.190 8.116 -18.801 1.00 0.00 H new ATOM 0 HB2 GLU A 78 28.897 7.081 -16.436 1.00 0.00 H new ATOM 0 HB3 GLU A 78 29.058 5.612 -17.377 1.00 0.00 H new ATOM 0 HG2 GLU A 78 30.443 7.219 -19.002 1.00 0.00 H new ATOM 0 HG3 GLU A 78 30.640 8.155 -17.533 1.00 0.00 H new ATOM 1226 N THR A 79 26.869 5.149 -19.207 1.00 0.00 N ATOM 1227 CA THR A 79 26.578 4.112 -20.188 1.00 0.00 C ATOM 1228 C THR A 79 25.645 4.630 -21.277 1.00 0.00 C ATOM 1229 O THR A 79 25.596 4.083 -22.379 1.00 0.00 O ATOM 1230 CB THR A 79 25.940 2.876 -19.527 1.00 0.00 C ATOM 1231 OG1 THR A 79 26.198 1.709 -20.317 1.00 0.00 O ATOM 1232 CG2 THR A 79 24.439 3.063 -19.364 1.00 0.00 C ATOM 0 H THR A 79 26.373 5.043 -18.322 1.00 0.00 H new ATOM 0 HA THR A 79 27.530 3.825 -20.635 1.00 0.00 H new ATOM 0 HB THR A 79 26.384 2.751 -18.539 1.00 0.00 H new ATOM 0 HG1 THR A 79 26.942 1.887 -20.929 1.00 0.00 H new ATOM 0 HG21 THR A 79 24.011 2.177 -18.895 1.00 0.00 H new ATOM 0 HG22 THR A 79 24.247 3.934 -18.738 1.00 0.00 H new ATOM 0 HG23 THR A 79 23.983 3.212 -20.343 1.00 0.00 H new ATOM 1240 N LEU A 80 24.907 5.688 -20.962 1.00 0.00 N ATOM 1241 CA LEU A 80 23.975 6.282 -21.914 1.00 0.00 C ATOM 1242 C LEU A 80 24.716 7.112 -22.957 1.00 0.00 C ATOM 1243 O LEU A 80 24.234 7.301 -24.074 1.00 0.00 O ATOM 1244 CB LEU A 80 22.954 7.156 -21.182 1.00 0.00 C ATOM 1245 CG LEU A 80 21.972 6.419 -20.271 1.00 0.00 C ATOM 1246 CD1 LEU A 80 20.942 7.385 -19.706 1.00 0.00 C ATOM 1247 CD2 LEU A 80 21.288 5.289 -21.026 1.00 0.00 C ATOM 0 H LEU A 80 24.936 6.153 -20.054 1.00 0.00 H new ATOM 0 HA LEU A 80 23.452 5.473 -22.425 1.00 0.00 H new ATOM 0 HB2 LEU A 80 23.495 7.888 -20.583 1.00 0.00 H new ATOM 0 HB3 LEU A 80 22.382 7.712 -21.925 1.00 0.00 H new ATOM 0 HG LEU A 80 22.530 5.987 -19.440 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.251 6.843 -19.060 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.447 8.159 -19.129 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.388 7.846 -20.524 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.593 4.776 -20.361 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.742 5.698 -21.877 1.00 0.00 H new ATOM 0 HD23 LEU A 80 22.038 4.583 -21.382 1.00 0.00 H new ATOM 1259 N LYS A 81 25.894 7.603 -22.586 1.00 0.00 N ATOM 1260 CA LYS A 81 26.705 8.411 -23.489 1.00 0.00 C ATOM 1261 C LYS A 81 27.641 7.532 -24.313 1.00 0.00 C ATOM 1262 O LYS A 81 27.654 7.604 -25.541 1.00 0.00 O ATOM 1263 CB LYS A 81 27.517 9.438 -22.697 1.00 0.00 C ATOM 1264 CG LYS A 81 26.691 10.608 -22.191 1.00 0.00 C ATOM 1265 CD LYS A 81 26.218 10.381 -20.765 1.00 0.00 C ATOM 1266 CE LYS A 81 27.364 10.506 -19.772 1.00 0.00 C ATOM 1267 NZ LYS A 81 28.047 11.824 -19.876 1.00 0.00 N ATOM 0 H LYS A 81 26.308 7.455 -21.666 1.00 0.00 H new ATOM 0 HA LYS A 81 26.034 8.935 -24.170 1.00 0.00 H new ATOM 0 HB2 LYS A 81 27.986 8.941 -21.848 1.00 0.00 H new ATOM 0 HB3 LYS A 81 28.321 9.818 -23.328 1.00 0.00 H new ATOM 0 HG2 LYS A 81 27.285 11.521 -22.237 1.00 0.00 H new ATOM 0 HG3 LYS A 81 25.829 10.755 -22.842 1.00 0.00 H new ATOM 0 HD2 LYS A 81 25.441 11.105 -20.519 1.00 0.00 H new ATOM 0 HD3 LYS A 81 25.770 9.391 -20.682 1.00 0.00 H new ATOM 0 HE2 LYS A 81 26.983 10.373 -18.759 1.00 0.00 H new ATOM 0 HE3 LYS A 81 28.086 9.708 -19.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 28.573 12.012 -18.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 28.707 11.811 -20.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 27.339 12.571 -20.022 1.00 0.00 H new ATOM 1281 N MET A 82 28.422 6.703 -23.628 1.00 0.00 N ATOM 1282 CA MET A 82 29.360 5.809 -24.297 1.00 0.00 C ATOM 1283 C MET A 82 28.795 5.328 -25.630 1.00 0.00 C ATOM 1284 O MET A 82 29.540 5.105 -26.584 1.00 0.00 O ATOM 1285 CB MET A 82 29.681 4.610 -23.403 1.00 0.00 C ATOM 1286 CG MET A 82 28.522 3.639 -23.249 1.00 0.00 C ATOM 1287 SD MET A 82 29.026 2.062 -22.537 1.00 0.00 S ATOM 1288 CE MET A 82 29.567 2.582 -20.910 1.00 0.00 C ATOM 0 H MET A 82 28.424 6.632 -22.610 1.00 0.00 H new ATOM 0 HA MET A 82 30.278 6.364 -24.491 1.00 0.00 H new ATOM 0 HB2 MET A 82 30.538 4.078 -23.817 1.00 0.00 H new ATOM 0 HB3 MET A 82 29.975 4.971 -22.417 1.00 0.00 H new ATOM 0 HG2 MET A 82 27.757 4.090 -22.617 1.00 0.00 H new ATOM 0 HG3 MET A 82 28.068 3.464 -24.224 1.00 0.00 H new ATOM 0 HE1 MET A 82 30.612 2.307 -20.769 1.00 0.00 H new ATOM 0 HE2 MET A 82 29.461 3.663 -20.819 1.00 0.00 H new ATOM 0 HE3 MET A 82 28.958 2.092 -20.150 1.00 0.00 H new