USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 521 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 53 CYS SG : rot 122:sc= 1.05 USER MOD Set 1.2: A 61 CYS SG : rot -161:sc= 0.927 USER MOD Set 1.3: A 66 CYS SG : rot 132:sc= 1.23 USER MOD Set 1.4: A 70 HIS : no HE2:sc= 0.324 K(o=3.5,f=2.3) USER MOD Set 2.1: A 44 GLN : amide:sc= 0.889 K(o=1.9,f=-3.2) USER MOD Set 2.2: A 67 LYS NZ :NH3+ 168:sc= 1.03 (180deg=0) USER MOD Set 3.1: A 40 SER OG : rot -76:sc= 1.49 USER MOD Set 3.2: A 42 SER OG : rot 99:sc= 0.316 USER MOD Set 3.3: A 43 CYS SG : rot 180:sc= 1.07 USER MOD Set 4.1: A 19 CYS SG : rot 129:sc= 1.19 USER MOD Set 4.2: A 27 CYS SG : rot 121:sc= -0.0708 USER MOD Set 4.3: A 34 CYS SG : rot -120:sc= 2.41 USER MOD Set 4.4: A 38 HIS : no HE2:sc= -0.482 K(o=3,f=0.99) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 26 THR OG1 : rot -41:sc= 0.158 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00736 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.088 K(o=-0.088,f=-0.62) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= 1.16 K(o=1.2,f=-3.5!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.0612 X(o=-0.061,f=-0.061) USER MOD Single : A 82 ASN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 190 N TRP A 13 -18.874 -0.432 -15.532 1.00 0.00 N ATOM 191 CA TRP A 13 -18.996 -1.165 -16.804 1.00 0.00 C ATOM 192 C TRP A 13 -18.250 -2.517 -16.795 1.00 0.00 C ATOM 193 O TRP A 13 -18.608 -3.429 -17.541 1.00 0.00 O ATOM 194 CB TRP A 13 -18.550 -0.252 -17.969 1.00 0.00 C ATOM 195 CG TRP A 13 -17.298 -0.592 -18.730 1.00 0.00 C ATOM 196 CD1 TRP A 13 -17.191 -1.615 -19.608 1.00 0.00 C ATOM 197 CD2 TRP A 13 -16.004 0.094 -18.773 1.00 0.00 C ATOM 198 NE1 TRP A 13 -15.941 -1.616 -20.189 1.00 0.00 N ATOM 199 CE2 TRP A 13 -15.165 -0.585 -19.713 1.00 0.00 C ATOM 200 CE3 TRP A 13 -15.443 1.215 -18.119 1.00 0.00 C ATOM 201 CZ2 TRP A 13 -13.849 -0.184 -19.986 1.00 0.00 C ATOM 202 CZ3 TRP A 13 -14.119 1.625 -18.386 1.00 0.00 C ATOM 203 CH2 TRP A 13 -13.321 0.928 -19.311 1.00 0.00 C ATOM 0 HA TRP A 13 -20.045 -1.426 -16.946 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -19.369 -0.212 -18.687 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -18.427 0.754 -17.569 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -17.973 -2.329 -19.823 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -15.631 -2.295 -20.884 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -16.036 1.766 -17.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -13.250 -0.723 -20.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -13.714 2.485 -17.873 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -12.307 1.247 -19.501 1.00 0.00 H new ATOM 214 N LEU A 14 -17.224 -2.646 -15.943 1.00 0.00 N ATOM 215 CA LEU A 14 -16.342 -3.812 -15.807 1.00 0.00 C ATOM 216 C LEU A 14 -16.711 -4.765 -14.658 1.00 0.00 C ATOM 217 O LEU A 14 -16.239 -5.900 -14.641 1.00 0.00 O ATOM 218 CB LEU A 14 -14.910 -3.296 -15.560 1.00 0.00 C ATOM 219 CG LEU A 14 -14.304 -2.485 -16.717 1.00 0.00 C ATOM 220 CD1 LEU A 14 -13.043 -1.777 -16.233 1.00 0.00 C ATOM 221 CD2 LEU A 14 -13.934 -3.368 -17.910 1.00 0.00 C ATOM 0 H LEU A 14 -16.974 -1.899 -15.295 1.00 0.00 H new ATOM 0 HA LEU A 14 -16.441 -4.387 -16.728 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -14.913 -2.676 -14.664 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.263 -4.149 -15.356 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.059 -1.769 -17.041 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -12.612 -1.201 -17.052 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.295 -1.106 -15.411 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.320 -2.516 -15.889 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.510 -2.751 -18.702 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -13.201 -4.112 -17.598 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -14.827 -3.871 -18.281 1.00 0.00 H new ATOM 233 N THR A 15 -17.506 -4.320 -13.680 1.00 0.00 N ATOM 234 CA THR A 15 -17.904 -5.113 -12.499 1.00 0.00 C ATOM 235 C THR A 15 -19.001 -6.125 -12.869 1.00 0.00 C ATOM 236 O THR A 15 -20.194 -5.921 -12.626 1.00 0.00 O ATOM 237 CB THR A 15 -18.282 -4.228 -11.300 1.00 0.00 C ATOM 238 OG1 THR A 15 -17.355 -3.176 -11.119 1.00 0.00 O ATOM 239 CG2 THR A 15 -18.285 -5.000 -9.984 1.00 0.00 C ATOM 0 H THR A 15 -17.902 -3.380 -13.682 1.00 0.00 H new ATOM 0 HA THR A 15 -17.036 -5.685 -12.171 1.00 0.00 H new ATOM 0 HB THR A 15 -19.279 -3.854 -11.533 1.00 0.00 H new ATOM 0 HG1 THR A 15 -17.625 -2.631 -10.350 1.00 0.00 H new ATOM 0 HG21 THR A 15 -18.558 -4.329 -9.169 1.00 0.00 H new ATOM 0 HG22 THR A 15 -19.007 -5.814 -10.041 1.00 0.00 H new ATOM 0 HG23 THR A 15 -17.292 -5.409 -9.800 1.00 0.00 H new ATOM 247 N LEU A 16 -18.569 -7.213 -13.506 1.00 0.00 N ATOM 248 CA LEU A 16 -19.341 -8.339 -14.035 1.00 0.00 C ATOM 249 C LEU A 16 -19.812 -9.287 -12.916 1.00 0.00 C ATOM 250 O LEU A 16 -19.092 -9.538 -11.954 1.00 0.00 O ATOM 251 CB LEU A 16 -18.399 -9.093 -15.007 1.00 0.00 C ATOM 252 CG LEU A 16 -19.000 -9.405 -16.385 1.00 0.00 C ATOM 253 CD1 LEU A 16 -17.900 -9.965 -17.288 1.00 0.00 C ATOM 254 CD2 LEU A 16 -20.142 -10.421 -16.322 1.00 0.00 C ATOM 0 H LEU A 16 -17.572 -7.341 -13.682 1.00 0.00 H new ATOM 0 HA LEU A 16 -20.240 -7.978 -14.534 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -17.496 -8.499 -15.148 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -18.095 -10.030 -14.540 1.00 0.00 H new ATOM 0 HG LEU A 16 -19.410 -8.474 -16.777 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -18.315 -10.191 -18.270 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -17.104 -9.228 -17.391 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -17.496 -10.876 -16.847 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -20.525 -10.600 -17.326 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -19.774 -11.357 -15.902 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -20.942 -10.031 -15.693 1.00 0.00 H new ATOM 266 N GLU A 17 -21.012 -9.851 -13.032 1.00 0.00 N ATOM 267 CA GLU A 17 -21.531 -10.817 -12.050 1.00 0.00 C ATOM 268 C GLU A 17 -20.806 -12.171 -12.121 1.00 0.00 C ATOM 269 O GLU A 17 -20.359 -12.586 -13.194 1.00 0.00 O ATOM 270 CB GLU A 17 -23.026 -11.063 -12.287 1.00 0.00 C ATOM 271 CG GLU A 17 -23.882 -9.809 -12.071 1.00 0.00 C ATOM 272 CD GLU A 17 -25.378 -10.110 -12.268 1.00 0.00 C ATOM 273 OE1 GLU A 17 -25.871 -11.111 -11.695 1.00 0.00 O ATOM 274 OE2 GLU A 17 -26.070 -9.350 -12.987 1.00 0.00 O ATOM 0 H GLU A 17 -21.653 -9.657 -13.802 1.00 0.00 H new ATOM 0 HA GLU A 17 -21.360 -10.381 -11.066 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -23.172 -11.425 -13.305 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -23.370 -11.851 -11.616 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -23.716 -9.422 -11.065 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -23.571 -9.030 -12.767 1.00 0.00 H new ATOM 281 N VAL A 18 -20.736 -12.888 -10.993 1.00 0.00 N ATOM 282 CA VAL A 18 -20.185 -14.260 -10.936 1.00 0.00 C ATOM 283 C VAL A 18 -21.249 -15.306 -11.317 1.00 0.00 C ATOM 284 O VAL A 18 -22.456 -15.065 -11.157 1.00 0.00 O ATOM 285 CB VAL A 18 -19.598 -14.611 -9.553 1.00 0.00 C ATOM 286 CG1 VAL A 18 -18.556 -13.580 -9.109 1.00 0.00 C ATOM 287 CG2 VAL A 18 -20.647 -14.768 -8.444 1.00 0.00 C ATOM 0 H VAL A 18 -21.058 -12.539 -10.090 1.00 0.00 H new ATOM 0 HA VAL A 18 -19.373 -14.284 -11.662 1.00 0.00 H new ATOM 0 HB VAL A 18 -19.130 -15.585 -9.695 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -18.163 -13.858 -8.131 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -17.741 -13.551 -9.833 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -19.021 -12.596 -9.047 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -20.150 -15.014 -7.506 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -21.198 -13.834 -8.329 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -21.339 -15.567 -8.709 1.00 0.00 H new ATOM 297 N CYS A 19 -20.819 -16.481 -11.787 1.00 0.00 N ATOM 298 CA CYS A 19 -21.735 -17.577 -12.120 1.00 0.00 C ATOM 299 C CYS A 19 -22.256 -18.272 -10.850 1.00 0.00 C ATOM 300 O CYS A 19 -21.500 -18.605 -9.933 1.00 0.00 O ATOM 301 CB CYS A 19 -21.043 -18.568 -13.054 1.00 0.00 C ATOM 302 SG CYS A 19 -22.173 -19.923 -13.514 1.00 0.00 S ATOM 0 H CYS A 19 -19.835 -16.699 -11.946 1.00 0.00 H new ATOM 0 HA CYS A 19 -22.601 -17.163 -12.637 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -20.703 -18.052 -13.952 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -20.158 -18.977 -12.567 1.00 0.00 H new ATOM 0 HG CYS A 19 -22.189 -20.055 -14.807 1.00 0.00 H new ATOM 307 N ARG A 20 -23.571 -18.500 -10.799 1.00 0.00 N ATOM 308 CA ARG A 20 -24.269 -19.129 -9.667 1.00 0.00 C ATOM 309 C ARG A 20 -23.940 -20.614 -9.516 1.00 0.00 C ATOM 310 O ARG A 20 -24.004 -21.141 -8.404 1.00 0.00 O ATOM 311 CB ARG A 20 -25.788 -18.973 -9.814 1.00 0.00 C ATOM 312 CG ARG A 20 -26.317 -17.526 -9.791 1.00 0.00 C ATOM 313 CD ARG A 20 -26.021 -16.726 -11.070 1.00 0.00 C ATOM 314 NE ARG A 20 -26.896 -15.545 -11.178 1.00 0.00 N ATOM 315 CZ ARG A 20 -26.535 -14.282 -11.319 1.00 0.00 C ATOM 316 NH1 ARG A 20 -25.304 -13.865 -11.357 1.00 0.00 N ATOM 317 NH2 ARG A 20 -27.433 -13.352 -11.423 1.00 0.00 N ATOM 0 H ARG A 20 -24.199 -18.247 -11.562 1.00 0.00 H new ATOM 0 HA ARG A 20 -23.919 -18.613 -8.773 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -26.093 -19.437 -10.752 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -26.271 -19.530 -9.011 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -27.395 -17.548 -9.631 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -25.879 -17.004 -8.940 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -24.978 -16.410 -11.070 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -26.160 -17.365 -11.942 1.00 0.00 H new ATOM 0 HE ARG A 20 -27.899 -15.724 -11.139 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -24.537 -14.532 -11.275 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -25.106 -12.871 -11.469 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -28.423 -13.594 -11.396 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -27.149 -12.378 -11.532 1.00 0.00 H new ATOM 331 N GLU A 21 -23.572 -21.287 -10.603 1.00 0.00 N ATOM 332 CA GLU A 21 -23.179 -22.697 -10.572 1.00 0.00 C ATOM 333 C GLU A 21 -21.705 -22.820 -10.159 1.00 0.00 C ATOM 334 O GLU A 21 -21.333 -23.716 -9.398 1.00 0.00 O ATOM 335 CB GLU A 21 -23.386 -23.354 -11.940 1.00 0.00 C ATOM 336 CG GLU A 21 -24.837 -23.327 -12.433 1.00 0.00 C ATOM 337 CD GLU A 21 -25.025 -24.208 -13.685 1.00 0.00 C ATOM 338 OE1 GLU A 21 -24.875 -23.705 -14.826 1.00 0.00 O ATOM 339 OE2 GLU A 21 -25.371 -25.407 -13.536 1.00 0.00 O ATOM 0 H GLU A 21 -23.537 -20.871 -11.534 1.00 0.00 H new ATOM 0 HA GLU A 21 -23.807 -23.210 -9.843 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -22.755 -22.850 -12.672 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -23.050 -24.390 -11.888 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -25.499 -23.675 -11.640 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -25.126 -22.301 -12.662 1.00 0.00 H new ATOM 346 N PHE A 22 -20.860 -21.883 -10.599 1.00 0.00 N ATOM 347 CA PHE A 22 -19.449 -21.799 -10.214 1.00 0.00 C ATOM 348 C PHE A 22 -19.322 -21.491 -8.714 1.00 0.00 C ATOM 349 O PHE A 22 -18.453 -22.039 -8.034 1.00 0.00 O ATOM 350 CB PHE A 22 -18.788 -20.720 -11.067 1.00 0.00 C ATOM 351 CG PHE A 22 -17.283 -20.621 -10.951 1.00 0.00 C ATOM 352 CD1 PHE A 22 -16.700 -19.659 -10.105 1.00 0.00 C ATOM 353 CD2 PHE A 22 -16.464 -21.465 -11.723 1.00 0.00 C ATOM 354 CE1 PHE A 22 -15.302 -19.549 -10.027 1.00 0.00 C ATOM 355 CE2 PHE A 22 -15.065 -21.359 -11.639 1.00 0.00 C ATOM 356 CZ PHE A 22 -14.484 -20.401 -10.790 1.00 0.00 C ATOM 0 H PHE A 22 -21.144 -21.147 -11.246 1.00 0.00 H new ATOM 0 HA PHE A 22 -18.948 -22.751 -10.387 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -19.042 -20.902 -12.111 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -19.219 -19.756 -10.798 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -17.327 -19.006 -9.516 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -16.911 -22.195 -12.381 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -14.855 -18.809 -9.380 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -14.437 -22.013 -12.226 1.00 0.00 H new ATOM 0 HZ PHE A 22 -13.409 -20.319 -10.724 1.00 0.00 H new ATOM 366 N GLN A 23 -20.256 -20.695 -8.175 1.00 0.00 N ATOM 367 CA GLN A 23 -20.371 -20.398 -6.737 1.00 0.00 C ATOM 368 C GLN A 23 -20.676 -21.650 -5.889 1.00 0.00 C ATOM 369 O GLN A 23 -20.540 -21.623 -4.664 1.00 0.00 O ATOM 370 CB GLN A 23 -21.471 -19.344 -6.505 1.00 0.00 C ATOM 371 CG GLN A 23 -21.035 -17.907 -6.815 1.00 0.00 C ATOM 372 CD GLN A 23 -20.123 -17.326 -5.735 1.00 0.00 C ATOM 373 OE1 GLN A 23 -18.909 -17.477 -5.757 1.00 0.00 O ATOM 374 NE2 GLN A 23 -20.663 -16.642 -4.747 1.00 0.00 N ATOM 0 H GLN A 23 -20.968 -20.229 -8.737 1.00 0.00 H new ATOM 0 HA GLN A 23 -19.402 -20.015 -6.416 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -22.334 -19.592 -7.123 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -21.797 -19.397 -5.466 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -20.516 -17.887 -7.773 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -21.918 -17.277 -6.918 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -21.673 -16.506 -4.713 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -20.071 -16.248 -4.016 1.00 0.00 H new ATOM 383 N ARG A 24 -21.082 -22.747 -6.543 1.00 0.00 N ATOM 384 CA ARG A 24 -21.432 -24.049 -5.958 1.00 0.00 C ATOM 385 C ARG A 24 -20.524 -25.180 -6.477 1.00 0.00 C ATOM 386 O ARG A 24 -20.797 -26.355 -6.230 1.00 0.00 O ATOM 387 CB ARG A 24 -22.923 -24.312 -6.246 1.00 0.00 C ATOM 388 CG ARG A 24 -23.837 -23.316 -5.516 1.00 0.00 C ATOM 389 CD ARG A 24 -25.281 -23.451 -6.004 1.00 0.00 C ATOM 390 NE ARG A 24 -26.201 -22.599 -5.225 1.00 0.00 N ATOM 391 CZ ARG A 24 -26.388 -21.295 -5.341 1.00 0.00 C ATOM 392 NH1 ARG A 24 -25.759 -20.566 -6.221 1.00 0.00 N ATOM 393 NH2 ARG A 24 -27.226 -20.685 -4.553 1.00 0.00 N ATOM 0 H ARG A 24 -21.181 -22.749 -7.558 1.00 0.00 H new ATOM 0 HA ARG A 24 -21.269 -24.027 -4.881 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -23.101 -24.247 -7.319 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -23.177 -25.327 -5.941 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -23.793 -23.494 -4.442 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -23.484 -22.299 -5.686 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -25.336 -23.178 -7.058 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -25.596 -24.492 -5.927 1.00 0.00 H new ATOM 0 HE ARG A 24 -26.758 -23.072 -4.513 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -25.090 -20.999 -6.857 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -25.937 -19.563 -6.273 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -27.738 -21.213 -3.846 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -27.370 -19.679 -4.642 1.00 0.00 H new ATOM 407 N GLY A 25 -19.443 -24.834 -7.191 1.00 0.00 N ATOM 408 CA GLY A 25 -18.470 -25.767 -7.772 1.00 0.00 C ATOM 409 C GLY A 25 -19.079 -26.799 -8.730 1.00 0.00 C ATOM 410 O GLY A 25 -18.646 -27.954 -8.737 1.00 0.00 O ATOM 0 H GLY A 25 -19.215 -23.859 -7.386 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.711 -25.196 -8.307 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -17.962 -26.294 -6.964 1.00 0.00 H new ATOM 414 N THR A 26 -20.108 -26.412 -9.496 1.00 0.00 N ATOM 415 CA THR A 26 -20.867 -27.322 -10.378 1.00 0.00 C ATOM 416 C THR A 26 -21.146 -26.781 -11.798 1.00 0.00 C ATOM 417 O THR A 26 -21.837 -27.440 -12.581 1.00 0.00 O ATOM 418 CB THR A 26 -22.139 -27.774 -9.624 1.00 0.00 C ATOM 419 OG1 THR A 26 -22.708 -28.936 -10.192 1.00 0.00 O ATOM 420 CG2 THR A 26 -23.216 -26.693 -9.520 1.00 0.00 C ATOM 0 H THR A 26 -20.444 -25.449 -9.524 1.00 0.00 H new ATOM 0 HA THR A 26 -20.239 -28.187 -10.591 1.00 0.00 H new ATOM 0 HB THR A 26 -21.790 -27.991 -8.615 1.00 0.00 H new ATOM 0 HG1 THR A 26 -22.671 -28.874 -11.169 1.00 0.00 H new ATOM 0 HG21 THR A 26 -24.076 -27.087 -8.978 1.00 0.00 H new ATOM 0 HG22 THR A 26 -22.815 -25.830 -8.987 1.00 0.00 H new ATOM 0 HG23 THR A 26 -23.525 -26.390 -10.520 1.00 0.00 H new ATOM 428 N CYS A 27 -20.595 -25.615 -12.176 1.00 0.00 N ATOM 429 CA CYS A 27 -20.761 -25.054 -13.526 1.00 0.00 C ATOM 430 C CYS A 27 -20.230 -26.030 -14.602 1.00 0.00 C ATOM 431 O CYS A 27 -19.103 -26.537 -14.515 1.00 0.00 O ATOM 432 CB CYS A 27 -20.092 -23.671 -13.622 1.00 0.00 C ATOM 433 SG CYS A 27 -20.616 -22.846 -15.161 1.00 0.00 S ATOM 0 H CYS A 27 -20.025 -25.038 -11.557 1.00 0.00 H new ATOM 0 HA CYS A 27 -21.826 -24.918 -13.717 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -20.365 -23.063 -12.760 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -19.007 -23.778 -13.606 1.00 0.00 H new ATOM 0 HG CYS A 27 -21.206 -21.724 -14.873 1.00 0.00 H new ATOM 438 N SER A 28 -21.056 -26.315 -15.611 1.00 0.00 N ATOM 439 CA SER A 28 -20.769 -27.239 -16.717 1.00 0.00 C ATOM 440 C SER A 28 -19.972 -26.614 -17.875 1.00 0.00 C ATOM 441 O SER A 28 -19.805 -27.249 -18.923 1.00 0.00 O ATOM 442 CB SER A 28 -22.099 -27.805 -17.240 1.00 0.00 C ATOM 443 OG SER A 28 -22.962 -26.769 -17.696 1.00 0.00 O ATOM 0 H SER A 28 -21.981 -25.893 -15.685 1.00 0.00 H new ATOM 0 HA SER A 28 -20.129 -28.025 -16.316 1.00 0.00 H new ATOM 0 HB2 SER A 28 -21.904 -28.503 -18.054 1.00 0.00 H new ATOM 0 HB3 SER A 28 -22.592 -28.369 -16.448 1.00 0.00 H new ATOM 0 HG SER A 28 -23.798 -27.161 -18.024 1.00 0.00 H new ATOM 449 N ARG A 29 -19.502 -25.366 -17.728 1.00 0.00 N ATOM 450 CA ARG A 29 -18.852 -24.570 -18.781 1.00 0.00 C ATOM 451 C ARG A 29 -17.529 -23.916 -18.344 1.00 0.00 C ATOM 452 O ARG A 29 -17.421 -23.461 -17.202 1.00 0.00 O ATOM 453 CB ARG A 29 -19.820 -23.428 -19.131 1.00 0.00 C ATOM 454 CG ARG A 29 -21.191 -23.888 -19.660 1.00 0.00 C ATOM 455 CD ARG A 29 -22.167 -22.710 -19.736 1.00 0.00 C ATOM 456 NE ARG A 29 -22.451 -22.129 -18.406 1.00 0.00 N ATOM 457 CZ ARG A 29 -23.228 -22.575 -17.436 1.00 0.00 C ATOM 458 NH1 ARG A 29 -23.367 -21.887 -16.354 1.00 0.00 N ATOM 459 NH2 ARG A 29 -23.919 -23.677 -17.483 1.00 0.00 N ATOM 0 H ARG A 29 -19.566 -24.865 -16.842 1.00 0.00 H new ATOM 0 HA ARG A 29 -18.625 -25.242 -19.609 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -19.975 -22.816 -18.243 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -19.352 -22.790 -19.880 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -21.074 -24.334 -20.648 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -21.597 -24.661 -19.008 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -21.753 -21.939 -20.386 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -23.100 -23.043 -20.191 1.00 0.00 H new ATOM 0 HE ARG A 29 -21.974 -21.250 -18.208 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -22.877 -20.999 -16.248 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -23.967 -22.231 -15.604 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -23.883 -24.266 -18.315 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -24.496 -23.951 -16.688 1.00 0.00 H new ATOM 473 N PRO A 30 -16.534 -23.794 -19.244 1.00 0.00 N ATOM 474 CA PRO A 30 -15.324 -23.019 -18.969 1.00 0.00 C ATOM 475 C PRO A 30 -15.663 -21.513 -18.937 1.00 0.00 C ATOM 476 O PRO A 30 -16.719 -21.082 -19.414 1.00 0.00 O ATOM 477 CB PRO A 30 -14.369 -23.356 -20.119 1.00 0.00 C ATOM 478 CG PRO A 30 -15.316 -23.632 -21.285 1.00 0.00 C ATOM 479 CD PRO A 30 -16.505 -24.309 -20.607 1.00 0.00 C ATOM 0 HA PRO A 30 -14.878 -23.257 -18.003 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -13.692 -22.530 -20.336 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.750 -24.223 -19.888 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -15.610 -22.713 -21.793 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.857 -24.277 -22.034 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -17.434 -24.082 -21.130 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -16.393 -25.393 -20.613 1.00 0.00 H new ATOM 487 N ASP A 31 -14.747 -20.685 -18.425 1.00 0.00 N ATOM 488 CA ASP A 31 -14.895 -19.217 -18.390 1.00 0.00 C ATOM 489 C ASP A 31 -15.187 -18.597 -19.772 1.00 0.00 C ATOM 490 O ASP A 31 -15.860 -17.573 -19.880 1.00 0.00 O ATOM 491 CB ASP A 31 -13.637 -18.582 -17.778 1.00 0.00 C ATOM 492 CG ASP A 31 -12.377 -18.755 -18.645 1.00 0.00 C ATOM 493 OD1 ASP A 31 -11.806 -19.870 -18.662 1.00 0.00 O ATOM 494 OD2 ASP A 31 -11.954 -17.772 -19.298 1.00 0.00 O ATOM 0 H ASP A 31 -13.871 -21.013 -18.018 1.00 0.00 H new ATOM 0 HA ASP A 31 -15.765 -19.003 -17.769 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.817 -17.518 -17.621 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.457 -19.023 -16.798 1.00 0.00 H new ATOM 499 N THR A 32 -14.699 -19.246 -20.830 1.00 0.00 N ATOM 500 CA THR A 32 -14.872 -18.854 -22.236 1.00 0.00 C ATOM 501 C THR A 32 -16.275 -19.104 -22.815 1.00 0.00 C ATOM 502 O THR A 32 -16.582 -18.579 -23.887 1.00 0.00 O ATOM 503 CB THR A 32 -13.842 -19.566 -23.131 1.00 0.00 C ATOM 504 OG1 THR A 32 -13.858 -20.958 -22.891 1.00 0.00 O ATOM 505 CG2 THR A 32 -12.419 -19.070 -22.866 1.00 0.00 C ATOM 0 H THR A 32 -14.147 -20.098 -20.729 1.00 0.00 H new ATOM 0 HA THR A 32 -14.720 -17.775 -22.234 1.00 0.00 H new ATOM 0 HB THR A 32 -14.120 -19.345 -24.161 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.199 -21.397 -23.469 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.723 -19.597 -23.518 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.364 -18.000 -23.066 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.156 -19.259 -21.825 1.00 0.00 H new ATOM 513 N GLU A 33 -17.132 -19.875 -22.138 1.00 0.00 N ATOM 514 CA GLU A 33 -18.484 -20.249 -22.602 1.00 0.00 C ATOM 515 C GLU A 33 -19.639 -19.721 -21.741 1.00 0.00 C ATOM 516 O GLU A 33 -20.742 -19.531 -22.261 1.00 0.00 O ATOM 517 CB GLU A 33 -18.602 -21.784 -22.571 1.00 0.00 C ATOM 518 CG GLU A 33 -17.980 -22.521 -23.755 1.00 0.00 C ATOM 519 CD GLU A 33 -18.709 -22.228 -25.081 1.00 0.00 C ATOM 520 OE1 GLU A 33 -19.822 -22.767 -25.298 1.00 0.00 O ATOM 521 OE2 GLU A 33 -18.172 -21.472 -25.926 1.00 0.00 O ATOM 0 H GLU A 33 -16.904 -20.270 -21.226 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.579 -19.806 -23.594 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -18.136 -22.147 -21.655 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -19.658 -22.048 -22.517 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.933 -22.233 -23.848 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -18.000 -23.594 -23.562 1.00 0.00 H new ATOM 528 N CYS A 34 -19.426 -19.537 -20.436 1.00 0.00 N ATOM 529 CA CYS A 34 -20.492 -19.164 -19.509 1.00 0.00 C ATOM 530 C CYS A 34 -21.119 -17.771 -19.742 1.00 0.00 C ATOM 531 O CYS A 34 -20.612 -16.921 -20.487 1.00 0.00 O ATOM 532 CB CYS A 34 -20.000 -19.400 -18.078 1.00 0.00 C ATOM 533 SG CYS A 34 -21.430 -19.657 -16.990 1.00 0.00 S ATOM 0 H CYS A 34 -18.512 -19.642 -19.995 1.00 0.00 H new ATOM 0 HA CYS A 34 -21.344 -19.814 -19.706 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -19.342 -20.269 -18.045 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -19.416 -18.545 -17.736 1.00 0.00 H new ATOM 0 HG CYS A 34 -21.439 -18.746 -16.063 1.00 0.00 H new ATOM 538 N LYS A 35 -22.263 -17.558 -19.085 1.00 0.00 N ATOM 539 CA LYS A 35 -23.099 -16.345 -19.114 1.00 0.00 C ATOM 540 C LYS A 35 -22.648 -15.295 -18.088 1.00 0.00 C ATOM 541 O LYS A 35 -23.077 -14.141 -18.161 1.00 0.00 O ATOM 542 CB LYS A 35 -24.572 -16.714 -18.836 1.00 0.00 C ATOM 543 CG LYS A 35 -25.295 -17.490 -19.957 1.00 0.00 C ATOM 544 CD LYS A 35 -24.879 -18.956 -20.183 1.00 0.00 C ATOM 545 CE LYS A 35 -24.917 -19.843 -18.927 1.00 0.00 C ATOM 546 NZ LYS A 35 -26.292 -20.016 -18.387 1.00 0.00 N ATOM 0 H LYS A 35 -22.660 -18.274 -18.477 1.00 0.00 H new ATOM 0 HA LYS A 35 -22.992 -15.911 -20.108 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -24.611 -17.310 -17.924 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -25.126 -15.796 -18.641 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -26.364 -17.472 -19.745 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -25.146 -16.949 -20.892 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -25.534 -19.392 -20.937 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -23.868 -18.972 -20.591 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -24.499 -20.821 -19.165 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -24.282 -19.404 -18.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -26.260 -20.622 -17.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -26.684 -19.087 -18.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -26.895 -20.460 -19.108 1.00 0.00 H new ATOM 560 N PHE A 36 -21.783 -15.687 -17.155 1.00 0.00 N ATOM 561 CA PHE A 36 -21.235 -14.862 -16.078 1.00 0.00 C ATOM 562 C PHE A 36 -19.725 -15.136 -15.911 1.00 0.00 C ATOM 563 O PHE A 36 -19.154 -15.987 -16.600 1.00 0.00 O ATOM 564 CB PHE A 36 -22.014 -15.159 -14.790 1.00 0.00 C ATOM 565 CG PHE A 36 -23.525 -15.023 -14.863 1.00 0.00 C ATOM 566 CD1 PHE A 36 -24.114 -13.749 -14.983 1.00 0.00 C ATOM 567 CD2 PHE A 36 -24.347 -16.165 -14.782 1.00 0.00 C ATOM 568 CE1 PHE A 36 -25.515 -13.617 -15.013 1.00 0.00 C ATOM 569 CE2 PHE A 36 -25.747 -16.033 -14.815 1.00 0.00 C ATOM 570 CZ PHE A 36 -26.331 -14.758 -14.928 1.00 0.00 C ATOM 0 H PHE A 36 -21.425 -16.642 -17.128 1.00 0.00 H new ATOM 0 HA PHE A 36 -21.344 -13.804 -16.317 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -21.778 -16.176 -14.476 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -21.649 -14.491 -14.009 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -23.489 -12.871 -15.052 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -23.901 -17.144 -14.694 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -25.963 -12.638 -15.101 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -26.374 -16.910 -14.754 1.00 0.00 H new ATOM 0 HZ PHE A 36 -27.406 -14.656 -14.949 1.00 0.00 H new ATOM 580 N ALA A 37 -19.051 -14.403 -15.022 1.00 0.00 N ATOM 581 CA ALA A 37 -17.609 -14.532 -14.812 1.00 0.00 C ATOM 582 C ALA A 37 -17.221 -15.678 -13.853 1.00 0.00 C ATOM 583 O ALA A 37 -17.959 -16.011 -12.920 1.00 0.00 O ATOM 584 CB ALA A 37 -17.104 -13.187 -14.298 1.00 0.00 C ATOM 0 H ALA A 37 -19.492 -13.702 -14.427 1.00 0.00 H new ATOM 0 HA ALA A 37 -17.140 -14.797 -15.760 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -16.029 -13.243 -14.129 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.315 -12.413 -15.036 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -17.607 -12.943 -13.362 1.00 0.00 H new ATOM 590 N HIS A 38 -16.024 -16.242 -14.063 1.00 0.00 N ATOM 591 CA HIS A 38 -15.440 -17.349 -13.291 1.00 0.00 C ATOM 592 C HIS A 38 -14.076 -16.940 -12.678 1.00 0.00 C ATOM 593 O HIS A 38 -13.033 -17.167 -13.305 1.00 0.00 O ATOM 594 CB HIS A 38 -15.308 -18.600 -14.192 1.00 0.00 C ATOM 595 CG HIS A 38 -16.600 -19.273 -14.596 1.00 0.00 C ATOM 596 ND1 HIS A 38 -16.741 -20.235 -15.573 1.00 0.00 N ATOM 597 CD2 HIS A 38 -17.845 -19.077 -14.056 1.00 0.00 C ATOM 598 CE1 HIS A 38 -18.040 -20.583 -15.636 1.00 0.00 C ATOM 599 NE2 HIS A 38 -18.754 -19.893 -14.735 1.00 0.00 N ATOM 0 H HIS A 38 -15.407 -15.925 -14.811 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.103 -17.592 -12.460 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -14.773 -18.315 -15.098 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -14.689 -19.332 -13.673 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -15.991 -20.617 -16.149 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -18.083 -18.406 -13.244 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -18.449 -21.315 -16.317 1.00 0.00 H new ATOM 607 N PRO A 39 -14.043 -16.304 -11.486 1.00 0.00 N ATOM 608 CA PRO A 39 -12.803 -15.839 -10.852 1.00 0.00 C ATOM 609 C PRO A 39 -11.813 -16.956 -10.481 1.00 0.00 C ATOM 610 O PRO A 39 -12.203 -18.040 -10.043 1.00 0.00 O ATOM 611 CB PRO A 39 -13.237 -15.080 -9.591 1.00 0.00 C ATOM 612 CG PRO A 39 -14.634 -15.615 -9.286 1.00 0.00 C ATOM 613 CD PRO A 39 -15.195 -15.949 -10.665 1.00 0.00 C ATOM 0 HA PRO A 39 -12.257 -15.220 -11.564 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.552 -15.262 -8.763 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -13.252 -14.003 -9.761 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.596 -16.495 -8.644 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.245 -14.873 -8.773 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -15.905 -16.774 -10.609 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.729 -15.097 -11.087 1.00 0.00 H new ATOM 621 N SER A 40 -10.516 -16.658 -10.601 1.00 0.00 N ATOM 622 CA SER A 40 -9.414 -17.545 -10.197 1.00 0.00 C ATOM 623 C SER A 40 -9.114 -17.439 -8.690 1.00 0.00 C ATOM 624 O SER A 40 -9.755 -16.684 -7.950 1.00 0.00 O ATOM 625 CB SER A 40 -8.135 -17.176 -10.967 1.00 0.00 C ATOM 626 OG SER A 40 -7.614 -15.953 -10.472 1.00 0.00 O ATOM 0 H SER A 40 -10.192 -15.773 -10.991 1.00 0.00 H new ATOM 0 HA SER A 40 -9.724 -18.565 -10.424 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.394 -17.968 -10.860 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.353 -17.085 -12.031 1.00 0.00 H new ATOM 0 HG SER A 40 -8.156 -15.208 -10.806 1.00 0.00 H new ATOM 632 N LYS A 41 -8.067 -18.146 -8.249 1.00 0.00 N ATOM 633 CA LYS A 41 -7.514 -18.094 -6.887 1.00 0.00 C ATOM 634 C LYS A 41 -6.994 -16.696 -6.487 1.00 0.00 C ATOM 635 O LYS A 41 -6.859 -16.430 -5.292 1.00 0.00 O ATOM 636 CB LYS A 41 -6.375 -19.127 -6.789 1.00 0.00 C ATOM 637 CG LYS A 41 -6.815 -20.598 -6.912 1.00 0.00 C ATOM 638 CD LYS A 41 -7.738 -21.058 -5.772 1.00 0.00 C ATOM 639 CE LYS A 41 -8.015 -22.562 -5.897 1.00 0.00 C ATOM 640 NZ LYS A 41 -8.893 -23.050 -4.801 1.00 0.00 N ATOM 0 H LYS A 41 -7.561 -18.795 -8.852 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.321 -18.324 -6.191 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.645 -18.916 -7.571 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.866 -18.995 -5.834 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.328 -20.737 -7.863 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.930 -21.234 -6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.275 -20.844 -4.809 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.676 -20.503 -5.805 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.485 -22.767 -6.859 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.072 -23.109 -5.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.059 -24.070 -4.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.433 -22.876 -3.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.802 -22.545 -4.834 1.00 0.00 H new ATOM 654 N SER A 42 -6.706 -15.813 -7.453 1.00 0.00 N ATOM 655 CA SER A 42 -6.194 -14.446 -7.230 1.00 0.00 C ATOM 656 C SER A 42 -7.196 -13.323 -7.537 1.00 0.00 C ATOM 657 O SER A 42 -6.999 -12.199 -7.067 1.00 0.00 O ATOM 658 CB SER A 42 -4.895 -14.230 -8.022 1.00 0.00 C ATOM 659 OG SER A 42 -5.068 -14.454 -9.413 1.00 0.00 O ATOM 0 H SER A 42 -6.825 -16.033 -8.442 1.00 0.00 H new ATOM 0 HA SER A 42 -6.004 -14.379 -6.159 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.539 -13.212 -7.862 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.124 -14.900 -7.641 1.00 0.00 H new ATOM 0 HG SER A 42 -5.183 -13.595 -9.871 1.00 0.00 H new ATOM 665 N CYS A 43 -8.266 -13.582 -8.300 1.00 0.00 N ATOM 666 CA CYS A 43 -9.269 -12.570 -8.651 1.00 0.00 C ATOM 667 C CYS A 43 -10.025 -11.997 -7.434 1.00 0.00 C ATOM 668 O CYS A 43 -10.412 -12.725 -6.517 1.00 0.00 O ATOM 669 CB CYS A 43 -10.250 -13.155 -9.672 1.00 0.00 C ATOM 670 SG CYS A 43 -9.378 -13.471 -11.235 1.00 0.00 S ATOM 0 H CYS A 43 -8.460 -14.503 -8.692 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.731 -11.727 -9.086 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.681 -14.080 -9.290 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -11.076 -12.463 -9.837 1.00 0.00 H new ATOM 0 HG CYS A 43 -10.208 -13.970 -12.102 1.00 0.00 H new ATOM 676 N GLN A 44 -10.264 -10.683 -7.451 1.00 0.00 N ATOM 677 CA GLN A 44 -10.995 -9.939 -6.421 1.00 0.00 C ATOM 678 C GLN A 44 -12.514 -10.094 -6.624 1.00 0.00 C ATOM 679 O GLN A 44 -13.015 -9.879 -7.729 1.00 0.00 O ATOM 680 CB GLN A 44 -10.569 -8.460 -6.508 1.00 0.00 C ATOM 681 CG GLN A 44 -10.889 -7.640 -5.247 1.00 0.00 C ATOM 682 CD GLN A 44 -9.965 -7.971 -4.076 1.00 0.00 C ATOM 683 OE1 GLN A 44 -8.752 -7.804 -4.137 1.00 0.00 O ATOM 684 NE2 GLN A 44 -10.487 -8.438 -2.962 1.00 0.00 N ATOM 0 H GLN A 44 -9.941 -10.085 -8.212 1.00 0.00 H new ATOM 0 HA GLN A 44 -10.760 -10.329 -5.431 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -9.497 -8.412 -6.697 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.064 -8.000 -7.363 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -10.808 -6.578 -5.479 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -11.922 -7.824 -4.952 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.494 -8.583 -2.893 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.884 -8.654 -2.168 1.00 0.00 H new ATOM 693 N VAL A 45 -13.242 -10.450 -5.559 1.00 0.00 N ATOM 694 CA VAL A 45 -14.702 -10.689 -5.562 1.00 0.00 C ATOM 695 C VAL A 45 -15.387 -9.844 -4.481 1.00 0.00 C ATOM 696 O VAL A 45 -14.893 -9.763 -3.354 1.00 0.00 O ATOM 697 CB VAL A 45 -15.022 -12.181 -5.294 1.00 0.00 C ATOM 698 CG1 VAL A 45 -16.490 -12.510 -5.598 1.00 0.00 C ATOM 699 CG2 VAL A 45 -14.149 -13.185 -6.066 1.00 0.00 C ATOM 0 H VAL A 45 -12.824 -10.586 -4.639 1.00 0.00 H new ATOM 0 HA VAL A 45 -15.075 -10.409 -6.547 1.00 0.00 H new ATOM 0 HB VAL A 45 -14.800 -12.298 -4.233 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -16.675 -13.565 -5.398 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -17.138 -11.902 -4.967 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -16.701 -12.297 -6.646 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -14.450 -14.201 -5.810 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -14.275 -13.028 -7.137 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.103 -13.039 -5.798 1.00 0.00 H new ATOM 709 N GLU A 46 -16.530 -9.233 -4.802 1.00 0.00 N ATOM 710 CA GLU A 46 -17.340 -8.410 -3.889 1.00 0.00 C ATOM 711 C GLU A 46 -18.845 -8.525 -4.200 1.00 0.00 C ATOM 712 O GLU A 46 -19.263 -8.357 -5.345 1.00 0.00 O ATOM 713 CB GLU A 46 -16.941 -6.924 -3.991 1.00 0.00 C ATOM 714 CG GLU A 46 -15.533 -6.611 -3.467 1.00 0.00 C ATOM 715 CD GLU A 46 -15.295 -5.090 -3.402 1.00 0.00 C ATOM 716 OE1 GLU A 46 -15.614 -4.466 -2.360 1.00 0.00 O ATOM 717 OE2 GLU A 46 -14.778 -4.508 -4.387 1.00 0.00 O ATOM 0 H GLU A 46 -16.934 -9.297 -5.736 1.00 0.00 H new ATOM 0 HA GLU A 46 -17.150 -8.784 -2.883 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -17.005 -6.613 -5.034 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -17.664 -6.327 -3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -15.405 -7.046 -2.476 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -14.788 -7.072 -4.116 1.00 0.00 H new ATOM 724 N ASN A 47 -19.664 -8.773 -3.170 1.00 0.00 N ATOM 725 CA ASN A 47 -21.138 -8.861 -3.202 1.00 0.00 C ATOM 726 C ASN A 47 -21.769 -9.580 -4.425 1.00 0.00 C ATOM 727 O ASN A 47 -22.799 -9.147 -4.952 1.00 0.00 O ATOM 728 CB ASN A 47 -21.695 -7.440 -2.982 1.00 0.00 C ATOM 729 CG ASN A 47 -23.159 -7.416 -2.557 1.00 0.00 C ATOM 730 OD1 ASN A 47 -23.661 -8.304 -1.879 1.00 0.00 O ATOM 731 ND2 ASN A 47 -23.892 -6.386 -2.920 1.00 0.00 N ATOM 0 H ASN A 47 -19.297 -8.928 -2.231 1.00 0.00 H new ATOM 0 HA ASN A 47 -21.436 -9.531 -2.396 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -21.097 -6.938 -2.222 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -21.584 -6.869 -3.904 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -24.870 -6.331 -2.637 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -23.482 -5.642 -3.485 1.00 0.00 H new ATOM 738 N GLY A 48 -21.156 -10.670 -4.902 1.00 0.00 N ATOM 739 CA GLY A 48 -21.660 -11.447 -6.047 1.00 0.00 C ATOM 740 C GLY A 48 -21.142 -11.000 -7.423 1.00 0.00 C ATOM 741 O GLY A 48 -21.665 -11.434 -8.453 1.00 0.00 O ATOM 0 H GLY A 48 -20.293 -11.041 -4.505 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -21.394 -12.494 -5.900 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -22.749 -11.392 -6.051 1.00 0.00 H new ATOM 745 N ARG A 49 -20.126 -10.132 -7.463 1.00 0.00 N ATOM 746 CA ARG A 49 -19.502 -9.601 -8.682 1.00 0.00 C ATOM 747 C ARG A 49 -17.976 -9.594 -8.589 1.00 0.00 C ATOM 748 O ARG A 49 -17.391 -9.717 -7.512 1.00 0.00 O ATOM 749 CB ARG A 49 -20.029 -8.185 -8.991 1.00 0.00 C ATOM 750 CG ARG A 49 -21.561 -8.080 -9.020 1.00 0.00 C ATOM 751 CD ARG A 49 -22.035 -6.818 -9.748 1.00 0.00 C ATOM 752 NE ARG A 49 -21.782 -5.584 -8.978 1.00 0.00 N ATOM 753 CZ ARG A 49 -21.759 -4.356 -9.463 1.00 0.00 C ATOM 754 NH1 ARG A 49 -21.676 -3.334 -8.661 1.00 0.00 N ATOM 755 NH2 ARG A 49 -21.809 -4.114 -10.743 1.00 0.00 N ATOM 0 H ARG A 49 -19.698 -9.765 -6.613 1.00 0.00 H new ATOM 0 HA ARG A 49 -19.777 -10.266 -9.501 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -19.642 -7.493 -8.243 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -19.635 -7.864 -9.955 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -21.976 -8.960 -9.512 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -21.944 -8.075 -7.999 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -21.531 -6.749 -10.712 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -23.103 -6.901 -9.952 1.00 0.00 H new ATOM 0 HE ARG A 49 -21.609 -5.690 -7.978 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -21.628 -3.480 -7.653 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -21.659 -2.388 -9.041 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -21.868 -4.887 -11.406 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -21.789 -3.152 -11.081 1.00 0.00 H new ATOM 769 N VAL A 50 -17.344 -9.441 -9.743 1.00 0.00 N ATOM 770 CA VAL A 50 -15.892 -9.402 -9.972 1.00 0.00 C ATOM 771 C VAL A 50 -15.568 -8.316 -11.004 1.00 0.00 C ATOM 772 O VAL A 50 -16.380 -8.041 -11.883 1.00 0.00 O ATOM 773 CB VAL A 50 -15.380 -10.761 -10.479 1.00 0.00 C ATOM 774 CG1 VAL A 50 -15.365 -11.799 -9.363 1.00 0.00 C ATOM 775 CG2 VAL A 50 -16.176 -11.361 -11.647 1.00 0.00 C ATOM 0 H VAL A 50 -17.864 -9.332 -10.614 1.00 0.00 H new ATOM 0 HA VAL A 50 -15.398 -9.177 -9.027 1.00 0.00 H new ATOM 0 HB VAL A 50 -14.376 -10.536 -10.838 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -14.998 -12.748 -9.754 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.711 -11.460 -8.560 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -16.375 -11.932 -8.976 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -15.738 -12.318 -11.932 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -17.211 -11.512 -11.342 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -16.144 -10.679 -12.497 1.00 0.00 H new ATOM 785 N ILE A 51 -14.399 -7.681 -10.926 1.00 0.00 N ATOM 786 CA ILE A 51 -14.029 -6.586 -11.846 1.00 0.00 C ATOM 787 C ILE A 51 -13.153 -7.114 -12.992 1.00 0.00 C ATOM 788 O ILE A 51 -12.154 -7.798 -12.760 1.00 0.00 O ATOM 789 CB ILE A 51 -13.361 -5.424 -11.070 1.00 0.00 C ATOM 790 CG1 ILE A 51 -14.311 -4.929 -9.958 1.00 0.00 C ATOM 791 CG2 ILE A 51 -13.007 -4.270 -12.027 1.00 0.00 C ATOM 792 CD1 ILE A 51 -13.845 -3.714 -9.152 1.00 0.00 C ATOM 0 H ILE A 51 -13.683 -7.902 -10.234 1.00 0.00 H new ATOM 0 HA ILE A 51 -14.934 -6.183 -12.301 1.00 0.00 H new ATOM 0 HB ILE A 51 -12.438 -5.785 -10.616 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.272 -4.689 -10.412 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.483 -5.752 -9.265 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.539 -3.462 -11.465 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -12.317 -4.629 -12.790 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -13.915 -3.901 -12.504 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.597 -3.464 -8.403 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -12.902 -3.946 -8.656 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -13.704 -2.866 -9.822 1.00 0.00 H new ATOM 804 N ALA A 52 -13.523 -6.790 -14.233 1.00 0.00 N ATOM 805 CA ALA A 52 -12.774 -7.157 -15.435 1.00 0.00 C ATOM 806 C ALA A 52 -11.500 -6.297 -15.590 1.00 0.00 C ATOM 807 O ALA A 52 -11.478 -5.120 -15.219 1.00 0.00 O ATOM 808 CB ALA A 52 -13.702 -7.061 -16.651 1.00 0.00 C ATOM 0 H ALA A 52 -14.368 -6.255 -14.433 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.427 -8.187 -15.350 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.151 -7.333 -17.551 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.544 -7.741 -16.521 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -14.072 -6.040 -16.747 1.00 0.00 H new ATOM 814 N CYS A 53 -10.433 -6.894 -16.127 1.00 0.00 N ATOM 815 CA CYS A 53 -9.122 -6.270 -16.291 1.00 0.00 C ATOM 816 C CYS A 53 -9.110 -5.156 -17.353 1.00 0.00 C ATOM 817 O CYS A 53 -9.030 -5.396 -18.566 1.00 0.00 O ATOM 818 CB CYS A 53 -8.074 -7.365 -16.539 1.00 0.00 C ATOM 819 SG CYS A 53 -6.381 -6.713 -16.343 1.00 0.00 S ATOM 0 H CYS A 53 -10.461 -7.854 -16.469 1.00 0.00 H new ATOM 0 HA CYS A 53 -8.864 -5.750 -15.368 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.232 -8.188 -15.843 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -8.197 -7.769 -17.544 1.00 0.00 H new ATOM 0 HG CYS A 53 -5.757 -7.394 -15.428 1.00 0.00 H new ATOM 824 N PHE A 54 -9.186 -3.912 -16.872 1.00 0.00 N ATOM 825 CA PHE A 54 -9.089 -2.717 -17.710 1.00 0.00 C ATOM 826 C PHE A 54 -7.719 -2.660 -18.399 1.00 0.00 C ATOM 827 O PHE A 54 -7.641 -2.319 -19.575 1.00 0.00 O ATOM 828 CB PHE A 54 -9.337 -1.447 -16.883 1.00 0.00 C ATOM 829 CG PHE A 54 -8.466 -1.280 -15.652 1.00 0.00 C ATOM 830 CD1 PHE A 54 -8.889 -1.792 -14.410 1.00 0.00 C ATOM 831 CD2 PHE A 54 -7.223 -0.628 -15.753 1.00 0.00 C ATOM 832 CE1 PHE A 54 -8.062 -1.667 -13.279 1.00 0.00 C ATOM 833 CE2 PHE A 54 -6.391 -0.515 -14.628 1.00 0.00 C ATOM 834 CZ PHE A 54 -6.811 -1.034 -13.389 1.00 0.00 C ATOM 0 H PHE A 54 -9.318 -3.706 -15.882 1.00 0.00 H new ATOM 0 HA PHE A 54 -9.860 -2.772 -18.478 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -9.190 -0.581 -17.529 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.381 -1.438 -16.570 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -9.848 -2.281 -14.326 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -6.908 -0.213 -16.699 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -8.388 -2.057 -12.326 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.430 -0.030 -14.713 1.00 0.00 H new ATOM 0 HZ PHE A 54 -6.172 -0.946 -12.522 1.00 0.00 H new ATOM 844 N ASP A 55 -6.642 -3.042 -17.703 1.00 0.00 N ATOM 845 CA ASP A 55 -5.298 -3.094 -18.279 1.00 0.00 C ATOM 846 C ASP A 55 -5.246 -4.081 -19.460 1.00 0.00 C ATOM 847 O ASP A 55 -4.641 -3.763 -20.483 1.00 0.00 O ATOM 848 CB ASP A 55 -4.251 -3.478 -17.225 1.00 0.00 C ATOM 849 CG ASP A 55 -3.978 -2.411 -16.163 1.00 0.00 C ATOM 850 OD1 ASP A 55 -3.947 -2.775 -14.963 1.00 0.00 O ATOM 851 OD2 ASP A 55 -3.703 -1.243 -16.529 1.00 0.00 O ATOM 0 H ASP A 55 -6.680 -3.324 -16.723 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.062 -2.095 -18.645 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.578 -4.390 -16.726 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.315 -3.711 -17.733 1.00 0.00 H new ATOM 856 N SER A 56 -5.887 -5.252 -19.370 1.00 0.00 N ATOM 857 CA SER A 56 -5.931 -6.218 -20.477 1.00 0.00 C ATOM 858 C SER A 56 -6.701 -5.653 -21.683 1.00 0.00 C ATOM 859 O SER A 56 -6.240 -5.770 -22.823 1.00 0.00 O ATOM 860 CB SER A 56 -6.516 -7.552 -19.995 1.00 0.00 C ATOM 861 OG SER A 56 -6.544 -8.500 -21.051 1.00 0.00 O ATOM 0 H SER A 56 -6.387 -5.557 -18.535 1.00 0.00 H new ATOM 0 HA SER A 56 -4.912 -6.403 -20.816 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.919 -7.939 -19.169 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.525 -7.395 -19.614 1.00 0.00 H new ATOM 0 HG SER A 56 -6.919 -9.344 -20.723 1.00 0.00 H new ATOM 867 N LEU A 57 -7.832 -4.970 -21.451 1.00 0.00 N ATOM 868 CA LEU A 57 -8.627 -4.313 -22.501 1.00 0.00 C ATOM 869 C LEU A 57 -7.880 -3.148 -23.179 1.00 0.00 C ATOM 870 O LEU A 57 -7.938 -3.010 -24.404 1.00 0.00 O ATOM 871 CB LEU A 57 -9.957 -3.817 -21.899 1.00 0.00 C ATOM 872 CG LEU A 57 -11.005 -4.928 -21.727 1.00 0.00 C ATOM 873 CD1 LEU A 57 -12.126 -4.453 -20.804 1.00 0.00 C ATOM 874 CD2 LEU A 57 -11.634 -5.338 -23.064 1.00 0.00 C ATOM 0 H LEU A 57 -8.226 -4.857 -20.517 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.817 -5.053 -23.279 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.760 -3.361 -20.929 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.368 -3.037 -22.540 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.487 -5.787 -21.301 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -12.863 -5.247 -20.689 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -11.711 -4.199 -19.829 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.604 -3.574 -21.235 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.368 -6.125 -22.894 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.124 -4.475 -23.515 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.857 -5.705 -23.734 1.00 0.00 H new ATOM 886 N LYS A 58 -7.171 -2.315 -22.404 1.00 0.00 N ATOM 887 CA LYS A 58 -6.389 -1.162 -22.895 1.00 0.00 C ATOM 888 C LYS A 58 -5.031 -1.550 -23.510 1.00 0.00 C ATOM 889 O LYS A 58 -4.404 -0.714 -24.163 1.00 0.00 O ATOM 890 CB LYS A 58 -6.194 -0.145 -21.751 1.00 0.00 C ATOM 891 CG LYS A 58 -7.494 0.516 -21.239 1.00 0.00 C ATOM 892 CD LYS A 58 -8.282 1.355 -22.258 1.00 0.00 C ATOM 893 CE LYS A 58 -7.447 2.503 -22.841 1.00 0.00 C ATOM 894 NZ LYS A 58 -8.244 3.344 -23.772 1.00 0.00 N ATOM 0 H LYS A 58 -7.122 -2.424 -21.391 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.964 -0.714 -23.705 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.706 -0.648 -20.916 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.516 0.637 -22.092 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.150 -0.268 -20.862 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.242 1.155 -20.393 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.624 0.711 -23.068 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.171 1.763 -21.778 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.062 3.122 -22.030 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.584 2.095 -23.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.647 4.109 -24.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.590 2.759 -24.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.053 3.754 -23.263 1.00 0.00 H new ATOM 908 N GLY A 59 -4.573 -2.792 -23.322 1.00 0.00 N ATOM 909 CA GLY A 59 -3.304 -3.306 -23.861 1.00 0.00 C ATOM 910 C GLY A 59 -2.077 -2.977 -22.997 1.00 0.00 C ATOM 911 O GLY A 59 -1.019 -2.637 -23.531 1.00 0.00 O ATOM 0 H GLY A 59 -5.085 -3.487 -22.778 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.379 -4.388 -23.969 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.153 -2.895 -24.859 1.00 0.00 H new ATOM 915 N ARG A 60 -2.224 -3.046 -21.666 1.00 0.00 N ATOM 916 CA ARG A 60 -1.202 -2.715 -20.652 1.00 0.00 C ATOM 917 C ARG A 60 -0.873 -3.851 -19.671 1.00 0.00 C ATOM 918 O ARG A 60 0.217 -3.829 -19.091 1.00 0.00 O ATOM 919 CB ARG A 60 -1.684 -1.445 -19.906 1.00 0.00 C ATOM 920 CG ARG A 60 -0.745 -0.905 -18.812 1.00 0.00 C ATOM 921 CD ARG A 60 0.675 -0.600 -19.315 1.00 0.00 C ATOM 922 NE ARG A 60 1.575 -0.230 -18.207 1.00 0.00 N ATOM 923 CZ ARG A 60 2.218 -1.055 -17.396 1.00 0.00 C ATOM 924 NH1 ARG A 60 2.083 -2.352 -17.459 1.00 0.00 N ATOM 925 NH2 ARG A 60 3.022 -0.583 -16.487 1.00 0.00 N ATOM 0 H ARG A 60 -3.101 -3.349 -21.242 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.259 -2.543 -21.170 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.845 -0.656 -20.641 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.652 -1.660 -19.452 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.175 0.004 -18.392 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.686 -1.633 -18.003 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.074 -1.473 -19.833 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.638 0.212 -20.041 1.00 0.00 H new ATOM 0 HE ARG A 60 1.717 0.768 -18.049 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.462 -2.767 -18.154 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.598 -2.950 -16.813 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.157 0.424 -16.399 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.517 -1.220 -15.863 1.00 0.00 H new ATOM 939 N CYS A 61 -1.772 -4.818 -19.460 1.00 0.00 N ATOM 940 CA CYS A 61 -1.561 -5.898 -18.490 1.00 0.00 C ATOM 941 C CYS A 61 -0.373 -6.812 -18.858 1.00 0.00 C ATOM 942 O CYS A 61 -0.241 -7.276 -19.996 1.00 0.00 O ATOM 943 CB CYS A 61 -2.866 -6.686 -18.281 1.00 0.00 C ATOM 944 SG CYS A 61 -2.806 -7.611 -16.710 1.00 0.00 S ATOM 0 H CYS A 61 -2.662 -4.874 -19.954 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.285 -5.440 -17.540 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.714 -6.002 -18.275 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -3.019 -7.376 -19.111 1.00 0.00 H new ATOM 0 HG CYS A 61 -3.693 -8.561 -16.732 1.00 0.00 H new ATOM 1013 N CYS A 66 -2.618 -11.387 -11.565 1.00 0.00 N ATOM 1014 CA CYS A 66 -3.658 -10.388 -11.801 1.00 0.00 C ATOM 1015 C CYS A 66 -4.936 -10.669 -10.978 1.00 0.00 C ATOM 1016 O CYS A 66 -5.432 -11.803 -10.920 1.00 0.00 O ATOM 1017 CB CYS A 66 -3.906 -10.347 -13.320 1.00 0.00 C ATOM 1018 SG CYS A 66 -4.760 -8.828 -13.834 1.00 0.00 S ATOM 0 HA CYS A 66 -3.335 -9.405 -11.458 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.953 -10.422 -13.844 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.500 -11.213 -13.613 1.00 0.00 H new ATOM 0 HG CYS A 66 -4.144 -8.308 -14.854 1.00 0.00 H new ATOM 1023 N LYS A 67 -5.457 -9.624 -10.322 1.00 0.00 N ATOM 1024 CA LYS A 67 -6.662 -9.689 -9.472 1.00 0.00 C ATOM 1025 C LYS A 67 -7.956 -9.414 -10.234 1.00 0.00 C ATOM 1026 O LYS A 67 -9.023 -9.332 -9.624 1.00 0.00 O ATOM 1027 CB LYS A 67 -6.571 -8.703 -8.299 1.00 0.00 C ATOM 1028 CG LYS A 67 -5.227 -8.745 -7.568 1.00 0.00 C ATOM 1029 CD LYS A 67 -5.356 -8.240 -6.121 1.00 0.00 C ATOM 1030 CE LYS A 67 -5.861 -6.792 -6.031 1.00 0.00 C ATOM 1031 NZ LYS A 67 -6.267 -6.446 -4.645 1.00 0.00 N ATOM 0 H LYS A 67 -5.048 -8.691 -10.365 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.695 -10.715 -9.104 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.742 -7.693 -8.670 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.369 -8.921 -7.589 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.845 -9.766 -7.565 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.501 -8.134 -8.104 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.038 -8.891 -5.575 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.386 -8.311 -5.630 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.078 -6.110 -6.363 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.708 -6.658 -6.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.408 -5.418 -4.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.154 -6.935 -4.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.523 -6.742 -3.981 1.00 0.00 H new ATOM 1045 N TYR A 68 -7.867 -9.238 -11.545 1.00 0.00 N ATOM 1046 CA TYR A 68 -8.990 -8.853 -12.390 1.00 0.00 C ATOM 1047 C TYR A 68 -9.275 -9.886 -13.490 1.00 0.00 C ATOM 1048 O TYR A 68 -8.387 -10.597 -13.966 1.00 0.00 O ATOM 1049 CB TYR A 68 -8.701 -7.451 -12.932 1.00 0.00 C ATOM 1050 CG TYR A 68 -8.497 -6.391 -11.859 1.00 0.00 C ATOM 1051 CD1 TYR A 68 -9.605 -5.680 -11.358 1.00 0.00 C ATOM 1052 CD2 TYR A 68 -7.209 -6.130 -11.343 1.00 0.00 C ATOM 1053 CE1 TYR A 68 -9.431 -4.707 -10.355 1.00 0.00 C ATOM 1054 CE2 TYR A 68 -7.030 -5.157 -10.340 1.00 0.00 C ATOM 1055 CZ TYR A 68 -8.142 -4.440 -9.845 1.00 0.00 C ATOM 1056 OH TYR A 68 -7.982 -3.498 -8.875 1.00 0.00 O ATOM 0 H TYR A 68 -6.996 -9.361 -12.061 1.00 0.00 H new ATOM 0 HA TYR A 68 -9.910 -8.828 -11.807 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -7.809 -7.493 -13.558 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.527 -7.146 -13.574 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -10.593 -5.882 -11.745 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -6.358 -6.678 -11.719 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -10.284 -4.165 -9.976 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -6.043 -4.959 -9.950 1.00 0.00 H new ATOM 0 HH TYR A 68 -7.035 -3.436 -8.632 1.00 0.00 H new ATOM 1066 N LEU A 69 -10.549 -10.000 -13.869 1.00 0.00 N ATOM 1067 CA LEU A 69 -11.024 -10.974 -14.854 1.00 0.00 C ATOM 1068 C LEU A 69 -10.603 -10.589 -16.274 1.00 0.00 C ATOM 1069 O LEU A 69 -11.090 -9.594 -16.809 1.00 0.00 O ATOM 1070 CB LEU A 69 -12.562 -11.101 -14.769 1.00 0.00 C ATOM 1071 CG LEU A 69 -13.092 -12.142 -13.775 1.00 0.00 C ATOM 1072 CD1 LEU A 69 -12.820 -13.570 -14.253 1.00 0.00 C ATOM 1073 CD2 LEU A 69 -12.507 -11.971 -12.379 1.00 0.00 C ATOM 0 H LEU A 69 -11.291 -9.409 -13.495 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.568 -11.937 -14.623 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.974 -10.128 -14.501 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -12.943 -11.346 -15.760 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.168 -11.973 -13.723 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.210 -14.279 -13.522 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.310 -13.732 -15.213 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.746 -13.718 -14.364 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.917 -12.734 -11.717 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.423 -12.074 -12.424 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -12.762 -10.983 -11.996 1.00 0.00 H new ATOM 1085 N HIS A 70 -9.745 -11.389 -16.906 1.00 0.00 N ATOM 1086 CA HIS A 70 -9.367 -11.177 -18.309 1.00 0.00 C ATOM 1087 C HIS A 70 -10.592 -11.548 -19.179 1.00 0.00 C ATOM 1088 O HIS A 70 -11.013 -12.709 -19.154 1.00 0.00 O ATOM 1089 CB HIS A 70 -8.115 -11.986 -18.667 1.00 0.00 C ATOM 1090 CG HIS A 70 -6.820 -11.356 -18.196 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -5.582 -11.519 -18.779 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -6.671 -10.407 -17.215 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -4.725 -10.664 -18.187 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -5.348 -9.956 -17.232 1.00 0.00 N ATOM 0 H HIS A 70 -9.295 -12.194 -16.469 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.102 -10.136 -18.491 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.202 -12.982 -18.233 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.073 -12.112 -19.749 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -5.354 -12.173 -19.528 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.445 -10.066 -16.544 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.681 -10.563 -18.445 1.00 0.00 H new ATOM 1102 N PRO A 71 -11.210 -10.588 -19.896 1.00 0.00 N ATOM 1103 CA PRO A 71 -12.448 -10.784 -20.658 1.00 0.00 C ATOM 1104 C PRO A 71 -12.508 -12.010 -21.592 1.00 0.00 C ATOM 1105 O PRO A 71 -11.758 -12.062 -22.574 1.00 0.00 O ATOM 1106 CB PRO A 71 -12.624 -9.489 -21.452 1.00 0.00 C ATOM 1107 CG PRO A 71 -12.028 -8.448 -20.523 1.00 0.00 C ATOM 1108 CD PRO A 71 -10.810 -9.186 -19.981 1.00 0.00 C ATOM 0 HA PRO A 71 -13.251 -11.000 -19.953 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.102 -9.526 -22.408 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.673 -9.286 -21.669 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.753 -7.536 -21.052 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.720 -8.161 -19.731 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.951 -9.062 -20.640 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.520 -8.800 -19.004 1.00 0.00 H new ATOM 1116 N PRO A 72 -13.411 -12.984 -21.352 1.00 0.00 N ATOM 1117 CA PRO A 72 -13.595 -14.117 -22.256 1.00 0.00 C ATOM 1118 C PRO A 72 -14.384 -13.685 -23.512 1.00 0.00 C ATOM 1119 O PRO A 72 -15.239 -12.797 -23.412 1.00 0.00 O ATOM 1120 CB PRO A 72 -14.376 -15.152 -21.446 1.00 0.00 C ATOM 1121 CG PRO A 72 -15.190 -14.318 -20.464 1.00 0.00 C ATOM 1122 CD PRO A 72 -14.339 -13.071 -20.228 1.00 0.00 C ATOM 0 HA PRO A 72 -12.646 -14.518 -22.612 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -15.020 -15.756 -22.086 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -13.708 -15.839 -20.927 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -16.166 -14.061 -20.875 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -15.368 -14.859 -19.535 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.964 -12.180 -20.171 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.799 -13.143 -19.284 1.00 0.00 H new ATOM 1130 N PRO A 73 -14.160 -14.299 -24.693 1.00 0.00 N ATOM 1131 CA PRO A 73 -14.855 -13.958 -25.944 1.00 0.00 C ATOM 1132 C PRO A 73 -16.380 -13.795 -25.836 1.00 0.00 C ATOM 1133 O PRO A 73 -16.944 -12.863 -26.413 1.00 0.00 O ATOM 1134 CB PRO A 73 -14.480 -15.070 -26.931 1.00 0.00 C ATOM 1135 CG PRO A 73 -13.100 -15.510 -26.452 1.00 0.00 C ATOM 1136 CD PRO A 73 -13.191 -15.361 -24.936 1.00 0.00 C ATOM 0 HA PRO A 73 -14.535 -12.967 -26.266 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.196 -15.891 -26.904 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.452 -14.705 -27.958 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -12.882 -16.538 -26.743 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.311 -14.886 -26.871 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.510 -16.294 -24.471 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -12.220 -15.108 -24.510 1.00 0.00 H new ATOM 1144 N HIS A 74 -17.053 -14.669 -25.074 1.00 0.00 N ATOM 1145 CA HIS A 74 -18.513 -14.635 -24.872 1.00 0.00 C ATOM 1146 C HIS A 74 -19.027 -13.446 -24.038 1.00 0.00 C ATOM 1147 O HIS A 74 -20.214 -13.126 -24.109 1.00 0.00 O ATOM 1148 CB HIS A 74 -18.955 -15.991 -24.287 1.00 0.00 C ATOM 1149 CG HIS A 74 -20.448 -16.213 -24.294 1.00 0.00 C ATOM 1150 ND1 HIS A 74 -21.236 -16.510 -23.196 1.00 0.00 N ATOM 1151 CD2 HIS A 74 -21.260 -16.197 -25.395 1.00 0.00 C ATOM 1152 CE1 HIS A 74 -22.506 -16.668 -23.621 1.00 0.00 C ATOM 1153 NE2 HIS A 74 -22.543 -16.477 -24.957 1.00 0.00 N ATOM 0 H HIS A 74 -16.595 -15.430 -24.573 1.00 0.00 H new ATOM 0 HA HIS A 74 -18.973 -14.472 -25.847 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -18.478 -16.791 -24.853 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -18.593 -16.067 -23.262 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -20.912 -16.595 -22.232 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -20.957 -16.003 -26.413 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -23.353 -16.908 -22.996 1.00 0.00 H new ATOM 1162 N LEU A 75 -18.155 -12.762 -23.284 1.00 0.00 N ATOM 1163 CA LEU A 75 -18.504 -11.584 -22.470 1.00 0.00 C ATOM 1164 C LEU A 75 -17.861 -10.289 -22.982 1.00 0.00 C ATOM 1165 O LEU A 75 -18.355 -9.215 -22.646 1.00 0.00 O ATOM 1166 CB LEU A 75 -18.173 -11.828 -20.988 1.00 0.00 C ATOM 1167 CG LEU A 75 -18.917 -13.019 -20.348 1.00 0.00 C ATOM 1168 CD1 LEU A 75 -18.471 -13.206 -18.899 1.00 0.00 C ATOM 1169 CD2 LEU A 75 -20.433 -12.815 -20.351 1.00 0.00 C ATOM 0 H LEU A 75 -17.169 -13.015 -23.220 1.00 0.00 H new ATOM 0 HA LEU A 75 -19.581 -11.444 -22.566 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -17.100 -11.994 -20.892 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -18.408 -10.925 -20.424 1.00 0.00 H new ATOM 0 HG LEU A 75 -18.673 -13.898 -20.945 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -19.004 -14.049 -18.460 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -17.399 -13.400 -18.870 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -18.692 -12.302 -18.331 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -20.917 -13.677 -19.891 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -20.680 -11.916 -19.786 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -20.784 -12.707 -21.377 1.00 0.00 H new ATOM 1181 N LYS A 76 -16.827 -10.350 -23.833 1.00 0.00 N ATOM 1182 CA LYS A 76 -16.225 -9.153 -24.458 1.00 0.00 C ATOM 1183 C LYS A 76 -17.275 -8.309 -25.189 1.00 0.00 C ATOM 1184 O LYS A 76 -17.227 -7.085 -25.096 1.00 0.00 O ATOM 1185 CB LYS A 76 -15.081 -9.549 -25.405 1.00 0.00 C ATOM 1186 CG LYS A 76 -13.788 -9.794 -24.613 1.00 0.00 C ATOM 1187 CD LYS A 76 -12.631 -10.319 -25.476 1.00 0.00 C ATOM 1188 CE LYS A 76 -12.199 -9.312 -26.552 1.00 0.00 C ATOM 1189 NZ LYS A 76 -11.035 -9.809 -27.332 1.00 0.00 N ATOM 0 H LYS A 76 -16.382 -11.225 -24.110 1.00 0.00 H new ATOM 0 HA LYS A 76 -15.811 -8.538 -23.659 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -15.353 -10.449 -25.957 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.920 -8.761 -26.140 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.482 -8.863 -24.136 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -13.990 -10.509 -23.816 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.780 -10.550 -24.836 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.932 -11.251 -25.954 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.033 -9.119 -27.226 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.943 -8.363 -26.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.771 -9.104 -28.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.231 -9.970 -26.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.287 -10.702 -27.801 1.00 0.00 H new ATOM 1203 N THR A 77 -18.254 -8.947 -25.842 1.00 0.00 N ATOM 1204 CA THR A 77 -19.368 -8.260 -26.522 1.00 0.00 C ATOM 1205 C THR A 77 -20.221 -7.459 -25.533 1.00 0.00 C ATOM 1206 O THR A 77 -20.594 -6.318 -25.800 1.00 0.00 O ATOM 1207 CB THR A 77 -20.266 -9.274 -27.252 1.00 0.00 C ATOM 1208 OG1 THR A 77 -19.478 -10.131 -28.052 1.00 0.00 O ATOM 1209 CG2 THR A 77 -21.280 -8.594 -28.171 1.00 0.00 C ATOM 0 H THR A 77 -18.299 -9.963 -25.916 1.00 0.00 H new ATOM 0 HA THR A 77 -18.928 -7.572 -27.244 1.00 0.00 H new ATOM 0 HB THR A 77 -20.799 -9.828 -26.479 1.00 0.00 H new ATOM 0 HG1 THR A 77 -20.057 -10.774 -28.511 1.00 0.00 H new ATOM 0 HG21 THR A 77 -21.890 -9.351 -28.663 1.00 0.00 H new ATOM 0 HG22 THR A 77 -21.921 -7.938 -27.583 1.00 0.00 H new ATOM 0 HG23 THR A 77 -20.753 -8.007 -28.923 1.00 0.00 H new ATOM 1217 N GLN A 78 -20.499 -8.031 -24.357 1.00 0.00 N ATOM 1218 CA GLN A 78 -21.271 -7.378 -23.297 1.00 0.00 C ATOM 1219 C GLN A 78 -20.475 -6.222 -22.672 1.00 0.00 C ATOM 1220 O GLN A 78 -21.009 -5.126 -22.489 1.00 0.00 O ATOM 1221 CB GLN A 78 -21.663 -8.421 -22.231 1.00 0.00 C ATOM 1222 CG GLN A 78 -22.483 -9.607 -22.773 1.00 0.00 C ATOM 1223 CD GLN A 78 -23.753 -9.174 -23.507 1.00 0.00 C ATOM 1224 OE1 GLN A 78 -23.799 -9.089 -24.727 1.00 0.00 O ATOM 1225 NE2 GLN A 78 -24.825 -8.876 -22.803 1.00 0.00 N ATOM 0 H GLN A 78 -20.190 -8.972 -24.112 1.00 0.00 H new ATOM 0 HA GLN A 78 -22.178 -6.954 -23.727 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -20.756 -8.805 -21.765 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -22.238 -7.925 -21.449 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -21.861 -10.192 -23.450 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -22.755 -10.262 -21.945 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -24.802 -8.942 -21.785 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -25.679 -8.579 -23.275 1.00 0.00 H new ATOM 1234 N LEU A 79 -19.192 -6.449 -22.371 1.00 0.00 N ATOM 1235 CA LEU A 79 -18.293 -5.444 -21.796 1.00 0.00 C ATOM 1236 C LEU A 79 -18.082 -4.246 -22.729 1.00 0.00 C ATOM 1237 O LEU A 79 -18.180 -3.110 -22.271 1.00 0.00 O ATOM 1238 CB LEU A 79 -16.948 -6.097 -21.430 1.00 0.00 C ATOM 1239 CG LEU A 79 -17.037 -7.092 -20.258 1.00 0.00 C ATOM 1240 CD1 LEU A 79 -15.724 -7.857 -20.143 1.00 0.00 C ATOM 1241 CD2 LEU A 79 -17.302 -6.388 -18.926 1.00 0.00 C ATOM 0 H LEU A 79 -18.742 -7.352 -22.523 1.00 0.00 H new ATOM 0 HA LEU A 79 -18.764 -5.055 -20.893 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -16.557 -6.616 -22.305 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -16.232 -5.315 -21.176 1.00 0.00 H new ATOM 0 HG LEU A 79 -17.869 -7.766 -20.464 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -15.785 -8.562 -19.314 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -15.538 -8.401 -21.069 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -14.909 -7.156 -19.964 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -17.357 -7.128 -18.128 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -16.493 -5.688 -18.717 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -18.245 -5.845 -18.983 1.00 0.00 H new ATOM 1253 N GLU A 80 -17.822 -4.454 -24.025 1.00 0.00 N ATOM 1254 CA GLU A 80 -17.635 -3.332 -24.960 1.00 0.00 C ATOM 1255 C GLU A 80 -18.916 -2.497 -25.133 1.00 0.00 C ATOM 1256 O GLU A 80 -18.834 -1.271 -25.201 1.00 0.00 O ATOM 1257 CB GLU A 80 -17.029 -3.778 -26.304 1.00 0.00 C ATOM 1258 CG GLU A 80 -17.983 -4.501 -27.262 1.00 0.00 C ATOM 1259 CD GLU A 80 -17.259 -4.901 -28.563 1.00 0.00 C ATOM 1260 OE1 GLU A 80 -16.813 -6.067 -28.689 1.00 0.00 O ATOM 1261 OE2 GLU A 80 -17.139 -4.049 -29.477 1.00 0.00 O ATOM 0 H GLU A 80 -17.736 -5.378 -24.450 1.00 0.00 H new ATOM 0 HA GLU A 80 -16.899 -2.670 -24.505 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -16.633 -2.898 -26.812 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -16.184 -4.435 -26.099 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -18.386 -5.390 -26.777 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -18.829 -3.854 -27.496 1.00 0.00 H new ATOM 1268 N ILE A 81 -20.100 -3.125 -25.141 1.00 0.00 N ATOM 1269 CA ILE A 81 -21.389 -2.416 -25.218 1.00 0.00 C ATOM 1270 C ILE A 81 -21.601 -1.568 -23.953 1.00 0.00 C ATOM 1271 O ILE A 81 -21.956 -0.390 -24.054 1.00 0.00 O ATOM 1272 CB ILE A 81 -22.540 -3.422 -25.481 1.00 0.00 C ATOM 1273 CG1 ILE A 81 -22.455 -3.905 -26.949 1.00 0.00 C ATOM 1274 CG2 ILE A 81 -23.927 -2.811 -25.203 1.00 0.00 C ATOM 1275 CD1 ILE A 81 -23.390 -5.074 -27.288 1.00 0.00 C ATOM 0 H ILE A 81 -20.193 -4.140 -25.094 1.00 0.00 H new ATOM 0 HA ILE A 81 -21.383 -1.725 -26.061 1.00 0.00 H new ATOM 0 HB ILE A 81 -22.422 -4.261 -24.796 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -22.686 -3.068 -27.608 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -21.428 -4.204 -27.161 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -24.699 -3.555 -25.402 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -23.985 -2.498 -24.160 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -24.080 -1.947 -25.850 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -23.265 -5.348 -28.336 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -23.146 -5.929 -26.658 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -24.424 -4.776 -27.111 1.00 0.00 H new ATOM 1287 N ASN A 82 -21.340 -2.123 -22.763 1.00 0.00 N ATOM 1288 CA ASN A 82 -21.440 -1.380 -21.501 1.00 0.00 C ATOM 1289 C ASN A 82 -20.416 -0.231 -21.441 1.00 0.00 C ATOM 1290 O ASN A 82 -20.742 0.863 -20.976 1.00 0.00 O ATOM 1291 CB ASN A 82 -21.287 -2.349 -20.313 1.00 0.00 C ATOM 1292 CG ASN A 82 -22.596 -3.043 -19.975 1.00 0.00 C ATOM 1293 OD1 ASN A 82 -23.388 -2.564 -19.178 1.00 0.00 O ATOM 1294 ND2 ASN A 82 -22.879 -4.177 -20.573 1.00 0.00 N ATOM 0 H ASN A 82 -21.055 -3.096 -22.648 1.00 0.00 H new ATOM 0 HA ASN A 82 -22.426 -0.919 -21.442 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -20.530 -3.097 -20.550 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -20.931 -1.801 -19.441 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -23.757 -4.655 -20.371 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -22.220 -4.580 -21.239 1.00 0.00 H new ATOM 1301 N GLY A 83 -19.196 -0.449 -21.944 1.00 0.00 N ATOM 1302 CA GLY A 83 -18.140 0.562 -21.993 1.00 0.00 C ATOM 1303 C GLY A 83 -18.493 1.712 -22.936 1.00 0.00 C ATOM 1304 O GLY A 83 -18.450 2.872 -22.531 1.00 0.00 O ATOM 0 H GLY A 83 -18.913 -1.348 -22.334 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -17.967 0.955 -20.991 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -17.209 0.098 -22.319 1.00 0.00 H new