USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 492 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 Single : A 27 LYS NZ :NH3+ -131:sc= -0.137 (180deg=-0.701) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.0523 K(o=-0.052,f=-0.87) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 24:sc= 0.9 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0461 USER MOD Single : A 47 SER OG : rot 180:sc= 0.00207 USER MOD Single : A 48 SER OG : rot 180:sc= -0.33 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 1.06 K(o=1.1,f=-3.3!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 93:sc= 1.24 USER MOD Single : A 56 LYS NZ :NH3+ -130:sc= 0.204 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 46:sc= 1.3 USER MOD Single : A 68 THR OG1 : rot 78:sc= 0.492 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ -113:sc= 0.051 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.672 USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 80 LYS NZ :NH3+ -166:sc= -0.0129 (180deg=-0.175) USER MOD Single : A 84 SER OG : rot 86:sc= 0.0586 USER MOD ----------------------------------------------------------------- ATOM 200 N LYS A 27 8.114 6.446 0.631 1.00 0.00 N ATOM 201 CA LYS A 27 7.257 7.199 -0.275 1.00 0.00 C ATOM 202 C LYS A 27 6.109 6.333 -0.781 1.00 0.00 C ATOM 203 O LYS A 27 4.981 6.803 -0.876 1.00 0.00 O ATOM 204 CB LYS A 27 8.057 7.786 -1.447 1.00 0.00 C ATOM 205 CG LYS A 27 8.788 6.749 -2.280 1.00 0.00 C ATOM 206 CD LYS A 27 9.679 7.389 -3.330 1.00 0.00 C ATOM 207 CE LYS A 27 8.882 7.878 -4.526 1.00 0.00 C ATOM 208 NZ LYS A 27 8.196 6.758 -5.219 1.00 0.00 N ATOM 0 HA LYS A 27 6.835 8.032 0.286 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.378 8.343 -2.093 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.782 8.500 -1.056 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.392 6.119 -1.627 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.062 6.098 -2.768 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.219 8.226 -2.887 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.426 6.667 -3.662 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.144 8.610 -4.198 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.547 8.386 -5.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.382 6.816 -6.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.553 5.852 -4.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.172 6.820 -5.050 1.00 0.00 H new ATOM 222 N ARG A 28 6.387 5.063 -1.085 1.00 0.00 N ATOM 223 CA ARG A 28 5.341 4.141 -1.526 1.00 0.00 C ATOM 224 C ARG A 28 4.255 4.019 -0.469 1.00 0.00 C ATOM 225 O ARG A 28 3.066 4.140 -0.767 1.00 0.00 O ATOM 226 CB ARG A 28 5.911 2.755 -1.832 1.00 0.00 C ATOM 227 CG ARG A 28 6.704 2.688 -3.125 1.00 0.00 C ATOM 228 CD ARG A 28 7.112 1.263 -3.461 1.00 0.00 C ATOM 229 NE ARG A 28 7.845 0.624 -2.366 1.00 0.00 N ATOM 230 CZ ARG A 28 9.003 -0.025 -2.507 1.00 0.00 C ATOM 231 NH1 ARG A 28 9.591 -0.123 -3.695 1.00 0.00 N ATOM 232 NH2 ARG A 28 9.564 -0.589 -1.449 1.00 0.00 N ATOM 0 H ARG A 28 7.320 4.653 -1.034 1.00 0.00 H new ATOM 0 HA ARG A 28 4.912 4.550 -2.441 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.553 2.447 -1.007 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.091 2.039 -1.883 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.107 3.097 -3.940 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.594 3.311 -3.039 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.222 0.677 -3.691 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.732 1.266 -4.358 1.00 0.00 H new ATOM 0 HE ARG A 28 7.443 0.679 -1.430 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.157 0.301 -4.515 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.476 -0.622 -3.786 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.112 -0.525 -0.537 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.449 -1.087 -1.546 1.00 0.00 H new ATOM 246 N VAL A 29 4.674 3.791 0.769 1.00 0.00 N ATOM 247 CA VAL A 29 3.744 3.699 1.878 1.00 0.00 C ATOM 248 C VAL A 29 3.022 5.026 2.070 1.00 0.00 C ATOM 249 O VAL A 29 1.806 5.057 2.210 1.00 0.00 O ATOM 250 CB VAL A 29 4.456 3.288 3.187 1.00 0.00 C ATOM 251 CG1 VAL A 29 3.485 3.280 4.360 1.00 0.00 C ATOM 252 CG2 VAL A 29 5.107 1.922 3.028 1.00 0.00 C ATOM 0 H VAL A 29 5.653 3.667 1.027 1.00 0.00 H new ATOM 0 HA VAL A 29 3.017 2.924 1.637 1.00 0.00 H new ATOM 0 HB VAL A 29 5.231 4.025 3.396 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.013 2.987 5.267 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.064 4.277 4.491 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.682 2.570 4.163 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.605 1.646 3.958 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.344 1.181 2.791 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.840 1.960 2.222 1.00 0.00 H new ATOM 262 N SER A 30 3.770 6.123 2.030 1.00 0.00 N ATOM 263 CA SER A 30 3.192 7.452 2.193 1.00 0.00 C ATOM 264 C SER A 30 2.128 7.715 1.124 1.00 0.00 C ATOM 265 O SER A 30 1.036 8.196 1.432 1.00 0.00 O ATOM 266 CB SER A 30 4.290 8.519 2.128 1.00 0.00 C ATOM 267 OG SER A 30 3.781 9.805 2.447 1.00 0.00 O ATOM 0 H SER A 30 4.780 6.118 1.886 1.00 0.00 H new ATOM 0 HA SER A 30 2.713 7.502 3.171 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.092 8.261 2.820 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.725 8.536 1.129 1.00 0.00 H new ATOM 0 HG SER A 30 4.504 10.464 2.399 1.00 0.00 H new ATOM 273 N ASN A 31 2.445 7.374 -0.122 1.00 0.00 N ATOM 274 CA ASN A 31 1.519 7.556 -1.236 1.00 0.00 C ATOM 275 C ASN A 31 0.260 6.724 -1.033 1.00 0.00 C ATOM 276 O ASN A 31 -0.847 7.162 -1.342 1.00 0.00 O ATOM 277 CB ASN A 31 2.189 7.157 -2.555 1.00 0.00 C ATOM 278 CG ASN A 31 3.267 8.130 -2.994 1.00 0.00 C ATOM 279 OD1 ASN A 31 3.181 9.331 -2.743 1.00 0.00 O ATOM 280 ND2 ASN A 31 4.299 7.616 -3.643 1.00 0.00 N ATOM 0 H ASN A 31 3.342 6.967 -0.387 1.00 0.00 H new ATOM 0 HA ASN A 31 1.242 8.610 -1.276 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.626 6.164 -2.448 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.430 7.089 -3.335 1.00 0.00 H new ATOM 0 HD21 ASN A 31 5.059 8.221 -3.954 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.335 6.614 -3.833 1.00 0.00 H new ATOM 287 N ALA A 32 0.439 5.524 -0.510 1.00 0.00 N ATOM 288 CA ALA A 32 -0.674 4.627 -0.249 1.00 0.00 C ATOM 289 C ALA A 32 -1.496 5.107 0.934 1.00 0.00 C ATOM 290 O ALA A 32 -2.719 5.120 0.879 1.00 0.00 O ATOM 291 CB ALA A 32 -0.170 3.217 -0.016 1.00 0.00 C ATOM 0 H ALA A 32 1.352 5.146 -0.256 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.322 4.624 -1.125 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.015 2.556 0.178 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.365 2.871 -0.900 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.502 3.208 0.842 1.00 0.00 H new ATOM 297 N VAL A 33 -0.819 5.523 1.994 1.00 0.00 N ATOM 298 CA VAL A 33 -1.489 6.006 3.193 1.00 0.00 C ATOM 299 C VAL A 33 -2.341 7.230 2.874 1.00 0.00 C ATOM 300 O VAL A 33 -3.482 7.335 3.318 1.00 0.00 O ATOM 301 CB VAL A 33 -0.465 6.341 4.310 1.00 0.00 C ATOM 302 CG1 VAL A 33 -1.132 6.996 5.511 1.00 0.00 C ATOM 303 CG2 VAL A 33 0.265 5.083 4.748 1.00 0.00 C ATOM 0 H VAL A 33 0.199 5.536 2.048 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.140 5.210 3.556 1.00 0.00 H new ATOM 0 HB VAL A 33 0.250 7.052 3.896 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.381 7.214 6.270 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.613 7.923 5.199 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.880 6.320 5.925 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.980 5.332 5.532 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.455 4.359 5.130 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.794 4.654 3.897 1.00 0.00 H new ATOM 313 N GLU A 34 -1.798 8.144 2.081 1.00 0.00 N ATOM 314 CA GLU A 34 -2.529 9.348 1.706 1.00 0.00 C ATOM 315 C GLU A 34 -3.690 9.016 0.763 1.00 0.00 C ATOM 316 O GLU A 34 -4.750 9.640 0.826 1.00 0.00 O ATOM 317 CB GLU A 34 -1.583 10.377 1.078 1.00 0.00 C ATOM 318 CG GLU A 34 -1.140 10.057 -0.336 1.00 0.00 C ATOM 319 CD GLU A 34 -0.216 11.114 -0.897 1.00 0.00 C ATOM 320 OE1 GLU A 34 0.958 11.160 -0.482 1.00 0.00 O ATOM 321 OE2 GLU A 34 -0.657 11.906 -1.755 1.00 0.00 O ATOM 0 H GLU A 34 -0.860 8.076 1.687 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.954 9.785 2.610 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.076 11.349 1.078 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.699 10.468 1.708 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.634 9.092 -0.347 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.016 9.965 -0.978 1.00 0.00 H new ATOM 328 N PHE A 35 -3.481 8.030 -0.109 1.00 0.00 N ATOM 329 CA PHE A 35 -4.509 7.609 -1.054 1.00 0.00 C ATOM 330 C PHE A 35 -5.621 6.847 -0.344 1.00 0.00 C ATOM 331 O PHE A 35 -6.799 7.070 -0.596 1.00 0.00 O ATOM 332 CB PHE A 35 -3.889 6.738 -2.151 1.00 0.00 C ATOM 333 CG PHE A 35 -4.874 6.265 -3.182 1.00 0.00 C ATOM 334 CD1 PHE A 35 -5.298 7.112 -4.194 1.00 0.00 C ATOM 335 CD2 PHE A 35 -5.377 4.973 -3.139 1.00 0.00 C ATOM 336 CE1 PHE A 35 -6.204 6.679 -5.143 1.00 0.00 C ATOM 337 CE2 PHE A 35 -6.283 4.537 -4.085 1.00 0.00 C ATOM 338 CZ PHE A 35 -6.697 5.391 -5.088 1.00 0.00 C ATOM 0 H PHE A 35 -2.607 7.509 -0.179 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.943 8.500 -1.508 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -3.101 7.303 -2.648 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.417 5.871 -1.689 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.916 8.121 -4.241 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.056 4.301 -2.357 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -6.526 7.348 -5.927 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.668 3.529 -4.041 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.406 5.051 -5.829 1.00 0.00 H new ATOM 348 N LEU A 36 -5.237 5.960 0.561 1.00 0.00 N ATOM 349 CA LEU A 36 -6.194 5.172 1.325 1.00 0.00 C ATOM 350 C LEU A 36 -7.021 6.065 2.245 1.00 0.00 C ATOM 351 O LEU A 36 -8.178 5.769 2.544 1.00 0.00 O ATOM 352 CB LEU A 36 -5.467 4.096 2.128 1.00 0.00 C ATOM 353 CG LEU A 36 -4.828 2.984 1.298 1.00 0.00 C ATOM 354 CD1 LEU A 36 -4.032 2.048 2.190 1.00 0.00 C ATOM 355 CD2 LEU A 36 -5.887 2.212 0.530 1.00 0.00 C ATOM 0 H LEU A 36 -4.261 5.766 0.786 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.876 4.685 0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.690 4.574 2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.174 3.646 2.825 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.148 3.440 0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.583 1.261 1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.246 2.609 2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.694 1.601 2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.411 1.425 -0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.593 1.767 1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.418 2.890 -0.138 1.00 0.00 H new ATOM 367 N LEU A 37 -6.418 7.156 2.692 1.00 0.00 N ATOM 368 CA LEU A 37 -7.089 8.097 3.577 1.00 0.00 C ATOM 369 C LEU A 37 -7.901 9.118 2.794 1.00 0.00 C ATOM 370 O LEU A 37 -8.437 10.066 3.368 1.00 0.00 O ATOM 371 CB LEU A 37 -6.068 8.821 4.457 1.00 0.00 C ATOM 372 CG LEU A 37 -5.791 8.156 5.802 1.00 0.00 C ATOM 373 CD1 LEU A 37 -4.649 8.859 6.520 1.00 0.00 C ATOM 374 CD2 LEU A 37 -7.048 8.178 6.653 1.00 0.00 C ATOM 0 H LEU A 37 -5.460 7.413 2.455 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.772 7.525 4.206 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.130 8.901 3.908 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.420 9.837 4.636 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.497 7.120 5.631 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.466 8.371 7.477 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.748 8.808 5.908 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.914 9.903 6.690 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.846 7.702 7.613 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.358 9.210 6.818 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.844 7.638 6.140 1.00 0.00 H new ATOM 386 N ASP A 38 -8.002 8.925 1.490 1.00 0.00 N ATOM 387 CA ASP A 38 -8.727 9.862 0.653 1.00 0.00 C ATOM 388 C ASP A 38 -10.228 9.632 0.766 1.00 0.00 C ATOM 389 O ASP A 38 -10.691 8.492 0.797 1.00 0.00 O ATOM 390 CB ASP A 38 -8.292 9.746 -0.806 1.00 0.00 C ATOM 391 CG ASP A 38 -8.692 10.953 -1.628 1.00 0.00 C ATOM 392 OD1 ASP A 38 -7.809 11.785 -1.928 1.00 0.00 O ATOM 393 OD2 ASP A 38 -9.887 11.085 -1.974 1.00 0.00 O ATOM 0 H ASP A 38 -7.594 8.134 0.992 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.495 10.868 1.004 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.210 9.623 -0.850 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.733 8.850 -1.243 1.00 0.00 H new ATOM 398 N SER A 39 -10.978 10.724 0.827 1.00 0.00 N ATOM 399 CA SER A 39 -12.427 10.671 0.969 1.00 0.00 C ATOM 400 C SER A 39 -13.071 9.878 -0.175 1.00 0.00 C ATOM 401 O SER A 39 -14.066 9.184 0.024 1.00 0.00 O ATOM 402 CB SER A 39 -12.989 12.096 1.015 1.00 0.00 C ATOM 403 OG SER A 39 -14.360 12.109 1.381 1.00 0.00 O ATOM 0 H SER A 39 -10.600 11.670 0.780 1.00 0.00 H new ATOM 0 HA SER A 39 -12.665 10.157 1.900 1.00 0.00 H new ATOM 0 HB2 SER A 39 -12.417 12.690 1.728 1.00 0.00 H new ATOM 0 HB3 SER A 39 -12.869 12.566 0.039 1.00 0.00 H new ATOM 0 HG SER A 39 -14.684 13.034 1.402 1.00 0.00 H new ATOM 409 N ARG A 40 -12.507 9.983 -1.370 1.00 0.00 N ATOM 410 CA ARG A 40 -13.022 9.241 -2.514 1.00 0.00 C ATOM 411 C ARG A 40 -12.749 7.746 -2.364 1.00 0.00 C ATOM 412 O ARG A 40 -13.590 6.908 -2.695 1.00 0.00 O ATOM 413 CB ARG A 40 -12.408 9.765 -3.814 1.00 0.00 C ATOM 414 CG ARG A 40 -12.851 11.176 -4.169 1.00 0.00 C ATOM 415 CD ARG A 40 -14.353 11.245 -4.396 1.00 0.00 C ATOM 416 NE ARG A 40 -14.804 12.589 -4.746 1.00 0.00 N ATOM 417 CZ ARG A 40 -16.084 12.922 -4.907 1.00 0.00 C ATOM 418 NH1 ARG A 40 -17.035 12.014 -4.740 1.00 0.00 N ATOM 419 NH2 ARG A 40 -16.414 14.167 -5.228 1.00 0.00 N ATOM 0 H ARG A 40 -11.698 10.570 -1.573 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.101 9.388 -2.553 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.322 9.745 -3.727 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -12.675 9.093 -4.629 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.571 11.859 -3.367 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.330 11.507 -5.067 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -14.629 10.554 -5.192 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -14.869 10.915 -3.494 1.00 0.00 H new ATOM 0 HE ARG A 40 -14.099 13.315 -4.875 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -16.788 11.057 -4.487 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -18.014 12.272 -4.864 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -15.687 14.871 -5.352 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -17.395 14.419 -5.351 1.00 0.00 H new ATOM 433 N VAL A 41 -11.576 7.426 -1.842 1.00 0.00 N ATOM 434 CA VAL A 41 -11.123 6.045 -1.742 1.00 0.00 C ATOM 435 C VAL A 41 -11.759 5.325 -0.552 1.00 0.00 C ATOM 436 O VAL A 41 -11.947 4.106 -0.576 1.00 0.00 O ATOM 437 CB VAL A 41 -9.587 5.984 -1.643 1.00 0.00 C ATOM 438 CG1 VAL A 41 -9.090 4.546 -1.587 1.00 0.00 C ATOM 439 CG2 VAL A 41 -8.966 6.718 -2.819 1.00 0.00 C ATOM 0 H VAL A 41 -10.913 8.110 -1.477 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.440 5.532 -2.650 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.284 6.471 -0.716 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.002 4.539 -1.518 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.512 4.049 -0.714 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.399 4.019 -2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.880 6.672 -2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.286 6.250 -3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.286 7.760 -2.808 1.00 0.00 H new ATOM 449 N ARG A 42 -12.110 6.077 0.482 1.00 0.00 N ATOM 450 CA ARG A 42 -12.753 5.491 1.655 1.00 0.00 C ATOM 451 C ARG A 42 -14.121 4.905 1.288 1.00 0.00 C ATOM 452 O ARG A 42 -14.638 4.027 1.976 1.00 0.00 O ATOM 453 CB ARG A 42 -12.892 6.522 2.782 1.00 0.00 C ATOM 454 CG ARG A 42 -13.942 7.590 2.533 1.00 0.00 C ATOM 455 CD ARG A 42 -14.032 8.554 3.703 1.00 0.00 C ATOM 456 NE ARG A 42 -15.056 9.577 3.499 1.00 0.00 N ATOM 457 CZ ARG A 42 -15.270 10.590 4.338 1.00 0.00 C ATOM 458 NH1 ARG A 42 -14.525 10.723 5.428 1.00 0.00 N ATOM 459 NH2 ARG A 42 -16.227 11.473 4.085 1.00 0.00 N ATOM 0 H ARG A 42 -11.963 7.085 0.535 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.118 4.682 2.015 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.136 6.000 3.707 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.928 7.007 2.934 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.698 8.139 1.624 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.912 7.120 2.370 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.253 7.997 4.614 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.065 9.035 3.850 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.641 9.512 2.666 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.786 10.049 5.626 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.692 11.500 6.068 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.801 11.377 3.247 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.389 12.248 4.728 1.00 0.00 H new ATOM 473 N ARG A 43 -14.690 5.385 0.186 1.00 0.00 N ATOM 474 CA ARG A 43 -15.996 4.920 -0.269 1.00 0.00 C ATOM 475 C ARG A 43 -15.884 3.697 -1.180 1.00 0.00 C ATOM 476 O ARG A 43 -16.868 2.986 -1.390 1.00 0.00 O ATOM 477 CB ARG A 43 -16.737 6.046 -0.991 1.00 0.00 C ATOM 478 CG ARG A 43 -17.429 7.021 -0.053 1.00 0.00 C ATOM 479 CD ARG A 43 -18.595 6.360 0.668 1.00 0.00 C ATOM 480 NE ARG A 43 -19.598 5.855 -0.271 1.00 0.00 N ATOM 481 CZ ARG A 43 -20.226 4.683 -0.147 1.00 0.00 C ATOM 482 NH1 ARG A 43 -19.971 3.887 0.884 1.00 0.00 N ATOM 483 NH2 ARG A 43 -21.111 4.306 -1.061 1.00 0.00 N ATOM 0 H ARG A 43 -14.266 6.097 -0.409 1.00 0.00 H new ATOM 0 HA ARG A 43 -16.561 4.622 0.614 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -16.030 6.594 -1.613 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -17.479 5.610 -1.660 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -16.713 7.397 0.678 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -17.788 7.881 -0.619 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -18.225 5.538 1.281 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -19.059 7.078 1.344 1.00 0.00 H new ATOM 0 HE ARG A 43 -19.833 6.438 -1.074 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -19.291 4.169 1.590 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -20.455 2.994 0.971 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -21.311 4.911 -1.857 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -21.591 3.411 -0.967 1.00 0.00 H new ATOM 497 N THR A 44 -14.698 3.447 -1.718 1.00 0.00 N ATOM 498 CA THR A 44 -14.495 2.297 -2.587 1.00 0.00 C ATOM 499 C THR A 44 -14.168 1.044 -1.774 1.00 0.00 C ATOM 500 O THR A 44 -13.720 1.144 -0.631 1.00 0.00 O ATOM 501 CB THR A 44 -13.373 2.560 -3.613 1.00 0.00 C ATOM 502 OG1 THR A 44 -12.295 3.280 -3.009 1.00 0.00 O ATOM 503 CG2 THR A 44 -13.898 3.337 -4.809 1.00 0.00 C ATOM 0 H THR A 44 -13.868 4.021 -1.569 1.00 0.00 H new ATOM 0 HA THR A 44 -15.428 2.133 -3.127 1.00 0.00 H new ATOM 0 HB THR A 44 -13.008 1.592 -3.957 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.305 3.133 -2.040 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.086 3.508 -5.516 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.689 2.766 -5.295 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.296 4.295 -4.474 1.00 0.00 H new ATOM 511 N PRO A 45 -14.414 -0.150 -2.342 1.00 0.00 N ATOM 512 CA PRO A 45 -14.087 -1.423 -1.687 1.00 0.00 C ATOM 513 C PRO A 45 -12.582 -1.604 -1.499 1.00 0.00 C ATOM 514 O PRO A 45 -11.779 -0.967 -2.189 1.00 0.00 O ATOM 515 CB PRO A 45 -14.634 -2.479 -2.652 1.00 0.00 C ATOM 516 CG PRO A 45 -14.709 -1.790 -3.968 1.00 0.00 C ATOM 517 CD PRO A 45 -15.040 -0.359 -3.660 1.00 0.00 C ATOM 0 HA PRO A 45 -14.513 -1.485 -0.686 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.979 -3.349 -2.698 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.615 -2.834 -2.335 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.763 -1.866 -4.504 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.472 -2.240 -4.603 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -14.635 0.319 -4.411 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -16.117 -0.192 -3.626 1.00 0.00 H new ATOM 525 N THR A 46 -12.212 -2.482 -0.578 1.00 0.00 N ATOM 526 CA THR A 46 -10.813 -2.733 -0.261 1.00 0.00 C ATOM 527 C THR A 46 -10.056 -3.226 -1.485 1.00 0.00 C ATOM 528 O THR A 46 -8.923 -2.813 -1.739 1.00 0.00 O ATOM 529 CB THR A 46 -10.688 -3.802 0.830 1.00 0.00 C ATOM 530 OG1 THR A 46 -11.780 -3.691 1.753 1.00 0.00 O ATOM 531 CG2 THR A 46 -9.377 -3.661 1.582 1.00 0.00 C ATOM 0 H THR A 46 -12.869 -3.038 -0.031 1.00 0.00 H new ATOM 0 HA THR A 46 -10.389 -1.790 0.084 1.00 0.00 H new ATOM 0 HB THR A 46 -10.711 -4.780 0.349 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.694 -4.379 2.446 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.314 -4.432 2.350 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.545 -3.773 0.887 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.330 -2.678 2.050 1.00 0.00 H new ATOM 539 N SER A 47 -10.698 -4.106 -2.240 1.00 0.00 N ATOM 540 CA SER A 47 -10.078 -4.731 -3.395 1.00 0.00 C ATOM 541 C SER A 47 -9.625 -3.689 -4.414 1.00 0.00 C ATOM 542 O SER A 47 -8.540 -3.798 -4.981 1.00 0.00 O ATOM 543 CB SER A 47 -11.054 -5.719 -4.025 1.00 0.00 C ATOM 544 OG SER A 47 -11.614 -6.567 -3.035 1.00 0.00 O ATOM 0 H SER A 47 -11.658 -4.404 -2.069 1.00 0.00 H new ATOM 0 HA SER A 47 -9.189 -5.268 -3.065 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.848 -5.177 -4.539 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.539 -6.318 -4.776 1.00 0.00 H new ATOM 0 HG SER A 47 -12.239 -7.193 -3.456 1.00 0.00 H new ATOM 550 N SER A 48 -10.445 -2.666 -4.624 1.00 0.00 N ATOM 551 CA SER A 48 -10.102 -1.590 -5.530 1.00 0.00 C ATOM 552 C SER A 48 -8.874 -0.832 -5.038 1.00 0.00 C ATOM 553 O SER A 48 -7.985 -0.498 -5.822 1.00 0.00 O ATOM 554 CB SER A 48 -11.283 -0.643 -5.661 1.00 0.00 C ATOM 555 OG SER A 48 -12.363 -1.266 -6.334 1.00 0.00 O ATOM 0 H SER A 48 -11.355 -2.564 -4.174 1.00 0.00 H new ATOM 0 HA SER A 48 -9.866 -2.017 -6.505 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.605 -0.319 -4.671 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.978 0.251 -6.205 1.00 0.00 H new ATOM 0 HG SER A 48 -13.111 -0.637 -6.404 1.00 0.00 H new ATOM 561 N LYS A 49 -8.833 -0.577 -3.736 1.00 0.00 N ATOM 562 CA LYS A 49 -7.714 0.127 -3.124 1.00 0.00 C ATOM 563 C LYS A 49 -6.421 -0.644 -3.354 1.00 0.00 C ATOM 564 O LYS A 49 -5.413 -0.084 -3.787 1.00 0.00 O ATOM 565 CB LYS A 49 -7.939 0.279 -1.621 1.00 0.00 C ATOM 566 CG LYS A 49 -9.293 0.852 -1.249 1.00 0.00 C ATOM 567 CD LYS A 49 -9.472 0.893 0.259 1.00 0.00 C ATOM 568 CE LYS A 49 -10.916 1.163 0.639 1.00 0.00 C ATOM 569 NZ LYS A 49 -11.108 1.186 2.111 1.00 0.00 N ATOM 0 H LYS A 49 -9.566 -0.849 -3.081 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.640 1.113 -3.582 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.828 -0.697 -1.148 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.160 0.922 -1.212 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.391 1.858 -1.658 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.083 0.248 -1.696 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.152 -0.055 0.691 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.832 1.668 0.682 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.229 2.118 0.217 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.556 0.396 0.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.108 1.373 2.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.833 0.266 2.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.518 1.935 2.526 1.00 0.00 H new ATOM 583 N VAL A 50 -6.473 -1.942 -3.079 1.00 0.00 N ATOM 584 CA VAL A 50 -5.297 -2.800 -3.199 1.00 0.00 C ATOM 585 C VAL A 50 -4.850 -2.911 -4.656 1.00 0.00 C ATOM 586 O VAL A 50 -3.658 -2.829 -4.959 1.00 0.00 O ATOM 587 CB VAL A 50 -5.563 -4.212 -2.634 1.00 0.00 C ATOM 588 CG1 VAL A 50 -4.323 -5.086 -2.750 1.00 0.00 C ATOM 589 CG2 VAL A 50 -6.021 -4.132 -1.185 1.00 0.00 C ATOM 0 H VAL A 50 -7.317 -2.425 -2.771 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.503 -2.337 -2.613 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.358 -4.667 -3.225 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.536 -6.075 -2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.038 -5.176 -3.798 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.505 -4.633 -2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.203 -5.137 -0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.248 -3.652 -0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.940 -3.549 -1.126 1.00 0.00 H new ATOM 599 N HIS A 51 -5.812 -3.081 -5.554 1.00 0.00 N ATOM 600 CA HIS A 51 -5.514 -3.201 -6.979 1.00 0.00 C ATOM 601 C HIS A 51 -4.873 -1.922 -7.502 1.00 0.00 C ATOM 602 O HIS A 51 -3.938 -1.970 -8.303 1.00 0.00 O ATOM 603 CB HIS A 51 -6.782 -3.507 -7.784 1.00 0.00 C ATOM 604 CG HIS A 51 -7.329 -4.887 -7.573 1.00 0.00 C ATOM 605 ND1 HIS A 51 -8.379 -5.395 -8.307 1.00 0.00 N ATOM 606 CD2 HIS A 51 -6.978 -5.864 -6.699 1.00 0.00 C ATOM 607 CE1 HIS A 51 -8.650 -6.618 -7.894 1.00 0.00 C ATOM 608 NE2 HIS A 51 -7.814 -6.926 -6.923 1.00 0.00 N ATOM 0 H HIS A 51 -6.804 -3.139 -5.323 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.815 -4.028 -7.102 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -7.550 -2.780 -7.520 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -6.567 -3.372 -8.844 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.188 -5.814 -5.965 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.426 -7.259 -8.286 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.793 -7.813 -6.419 1.00 0.00 H new ATOM 617 N PHE A 52 -5.369 -0.784 -7.032 1.00 0.00 N ATOM 618 CA PHE A 52 -4.855 0.512 -7.453 1.00 0.00 C ATOM 619 C PHE A 52 -3.403 0.680 -7.016 1.00 0.00 C ATOM 620 O PHE A 52 -2.535 1.015 -7.823 1.00 0.00 O ATOM 621 CB PHE A 52 -5.713 1.636 -6.864 1.00 0.00 C ATOM 622 CG PHE A 52 -5.368 3.007 -7.377 1.00 0.00 C ATOM 623 CD1 PHE A 52 -4.266 3.691 -6.888 1.00 0.00 C ATOM 624 CD2 PHE A 52 -6.152 3.613 -8.342 1.00 0.00 C ATOM 625 CE1 PHE A 52 -3.952 4.952 -7.356 1.00 0.00 C ATOM 626 CE2 PHE A 52 -5.844 4.874 -8.813 1.00 0.00 C ATOM 627 CZ PHE A 52 -4.743 5.544 -8.320 1.00 0.00 C ATOM 0 H PHE A 52 -6.131 -0.733 -6.356 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.899 0.564 -8.541 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.761 1.431 -7.083 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.607 1.629 -5.779 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.646 3.233 -6.132 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.015 3.094 -8.732 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.089 5.474 -6.969 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.465 5.336 -9.567 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.501 6.530 -8.688 1.00 0.00 H new ATOM 637 N LEU A 53 -3.146 0.436 -5.736 1.00 0.00 N ATOM 638 CA LEU A 53 -1.810 0.599 -5.175 1.00 0.00 C ATOM 639 C LEU A 53 -0.811 -0.320 -5.869 1.00 0.00 C ATOM 640 O LEU A 53 0.330 0.069 -6.125 1.00 0.00 O ATOM 641 CB LEU A 53 -1.831 0.323 -3.672 1.00 0.00 C ATOM 642 CG LEU A 53 -2.722 1.261 -2.854 1.00 0.00 C ATOM 643 CD1 LEU A 53 -2.703 0.870 -1.387 1.00 0.00 C ATOM 644 CD2 LEU A 53 -2.280 2.707 -3.027 1.00 0.00 C ATOM 0 H LEU A 53 -3.848 0.124 -5.065 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.494 1.629 -5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.164 -0.702 -3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.812 0.391 -3.291 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.744 1.169 -3.221 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.342 1.548 -0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.070 -0.150 -1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.683 0.931 -1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.926 3.358 -2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.250 2.815 -2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.348 2.985 -4.079 1.00 0.00 H new ATOM 656 N LYS A 54 -1.246 -1.534 -6.184 1.00 0.00 N ATOM 657 CA LYS A 54 -0.408 -2.476 -6.910 1.00 0.00 C ATOM 658 C LYS A 54 -0.046 -1.910 -8.280 1.00 0.00 C ATOM 659 O LYS A 54 1.108 -1.956 -8.703 1.00 0.00 O ATOM 660 CB LYS A 54 -1.137 -3.818 -7.055 1.00 0.00 C ATOM 661 CG LYS A 54 -0.331 -4.893 -7.773 1.00 0.00 C ATOM 662 CD LYS A 54 -0.509 -4.855 -9.289 1.00 0.00 C ATOM 663 CE LYS A 54 -1.935 -5.182 -9.703 1.00 0.00 C ATOM 664 NZ LYS A 54 -2.082 -5.250 -11.180 1.00 0.00 N ATOM 0 H LYS A 54 -2.173 -1.888 -5.948 1.00 0.00 H new ATOM 0 HA LYS A 54 0.514 -2.639 -6.351 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.404 -4.182 -6.063 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.069 -3.656 -7.597 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.725 -4.769 -7.533 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.630 -5.873 -7.401 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.241 -3.866 -9.661 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.175 -5.566 -9.752 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.231 -6.135 -9.265 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.611 -4.425 -9.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.068 -5.475 -11.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.824 -4.333 -11.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.456 -5.990 -11.557 1.00 0.00 H new ATOM 678 N SER A 55 -1.041 -1.344 -8.946 1.00 0.00 N ATOM 679 CA SER A 55 -0.865 -0.751 -10.263 1.00 0.00 C ATOM 680 C SER A 55 0.069 0.460 -10.211 1.00 0.00 C ATOM 681 O SER A 55 0.630 0.873 -11.227 1.00 0.00 O ATOM 682 CB SER A 55 -2.228 -0.341 -10.813 1.00 0.00 C ATOM 683 OG SER A 55 -3.137 -1.432 -10.780 1.00 0.00 O ATOM 0 H SER A 55 -1.994 -1.283 -8.588 1.00 0.00 H new ATOM 0 HA SER A 55 -0.407 -1.491 -10.919 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.627 0.487 -10.227 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.119 0.016 -11.837 1.00 0.00 H new ATOM 0 HG SER A 55 -3.647 -1.407 -9.944 1.00 0.00 H new ATOM 689 N LYS A 56 0.241 1.017 -9.020 1.00 0.00 N ATOM 690 CA LYS A 56 1.121 2.160 -8.826 1.00 0.00 C ATOM 691 C LYS A 56 2.565 1.717 -8.614 1.00 0.00 C ATOM 692 O LYS A 56 3.463 2.544 -8.461 1.00 0.00 O ATOM 693 CB LYS A 56 0.639 3.001 -7.645 1.00 0.00 C ATOM 694 CG LYS A 56 -0.402 4.041 -8.026 1.00 0.00 C ATOM 695 CD LYS A 56 0.211 5.144 -8.874 1.00 0.00 C ATOM 696 CE LYS A 56 -0.807 6.211 -9.243 1.00 0.00 C ATOM 697 NZ LYS A 56 -1.785 5.737 -10.258 1.00 0.00 N ATOM 0 H LYS A 56 -0.220 0.693 -8.170 1.00 0.00 H new ATOM 0 HA LYS A 56 1.090 2.769 -9.729 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.220 2.340 -6.886 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.495 3.503 -7.194 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.213 3.564 -8.576 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.838 4.471 -7.124 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.036 5.603 -8.330 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.629 4.712 -9.783 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.342 6.524 -8.346 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.286 7.088 -9.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.846 6.430 -11.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.474 4.820 -10.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.720 5.629 -9.815 1.00 0.00 H new ATOM 711 N GLY A 57 2.783 0.409 -8.610 1.00 0.00 N ATOM 712 CA GLY A 57 4.126 -0.115 -8.477 1.00 0.00 C ATOM 713 C GLY A 57 4.469 -0.482 -7.049 1.00 0.00 C ATOM 714 O GLY A 57 5.635 -0.712 -6.723 1.00 0.00 O ATOM 0 H GLY A 57 2.053 -0.298 -8.697 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.233 -0.996 -9.110 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.839 0.626 -8.839 1.00 0.00 H new ATOM 718 N LEU A 58 3.461 -0.531 -6.189 1.00 0.00 N ATOM 719 CA LEU A 58 3.675 -0.918 -4.803 1.00 0.00 C ATOM 720 C LEU A 58 3.733 -2.426 -4.662 1.00 0.00 C ATOM 721 O LEU A 58 3.145 -3.162 -5.457 1.00 0.00 O ATOM 722 CB LEU A 58 2.580 -0.371 -3.889 1.00 0.00 C ATOM 723 CG LEU A 58 2.866 0.989 -3.256 1.00 0.00 C ATOM 724 CD1 LEU A 58 2.714 2.112 -4.269 1.00 0.00 C ATOM 725 CD2 LEU A 58 1.964 1.201 -2.057 1.00 0.00 C ATOM 0 H LEU A 58 2.494 -0.309 -6.425 1.00 0.00 H new ATOM 0 HA LEU A 58 4.630 -0.489 -4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.656 -0.297 -4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.403 -1.093 -3.092 1.00 0.00 H new ATOM 0 HG LEU A 58 3.902 1.003 -2.916 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.924 3.067 -3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.414 1.958 -5.091 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.695 2.117 -4.656 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.174 2.173 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.922 1.165 -2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.146 0.417 -1.322 1.00 0.00 H new ATOM 737 N SER A 59 4.447 -2.875 -3.648 1.00 0.00 N ATOM 738 CA SER A 59 4.534 -4.286 -3.340 1.00 0.00 C ATOM 739 C SER A 59 3.508 -4.635 -2.269 1.00 0.00 C ATOM 740 O SER A 59 2.986 -3.743 -1.596 1.00 0.00 O ATOM 741 CB SER A 59 5.944 -4.622 -2.865 1.00 0.00 C ATOM 742 OG SER A 59 6.914 -4.170 -3.797 1.00 0.00 O ATOM 0 H SER A 59 4.980 -2.274 -3.019 1.00 0.00 H new ATOM 0 HA SER A 59 4.321 -4.872 -4.234 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.124 -4.161 -1.894 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.039 -5.699 -2.729 1.00 0.00 H new ATOM 0 HG SER A 59 7.810 -4.395 -3.471 1.00 0.00 H new ATOM 748 N ALA A 60 3.227 -5.923 -2.106 1.00 0.00 N ATOM 749 CA ALA A 60 2.225 -6.373 -1.145 1.00 0.00 C ATOM 750 C ALA A 60 2.565 -5.911 0.270 1.00 0.00 C ATOM 751 O ALA A 60 1.682 -5.541 1.043 1.00 0.00 O ATOM 752 CB ALA A 60 2.092 -7.889 -1.196 1.00 0.00 C ATOM 0 H ALA A 60 3.679 -6.675 -2.627 1.00 0.00 H new ATOM 0 HA ALA A 60 1.269 -5.926 -1.418 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.342 -8.213 -0.475 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.788 -8.194 -2.197 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.051 -8.347 -0.952 1.00 0.00 H new ATOM 758 N GLU A 61 3.852 -5.921 0.593 1.00 0.00 N ATOM 759 CA GLU A 61 4.325 -5.482 1.902 1.00 0.00 C ATOM 760 C GLU A 61 4.063 -3.995 2.121 1.00 0.00 C ATOM 761 O GLU A 61 3.661 -3.582 3.211 1.00 0.00 O ATOM 762 CB GLU A 61 5.816 -5.780 2.048 1.00 0.00 C ATOM 763 CG GLU A 61 6.128 -7.258 2.210 1.00 0.00 C ATOM 764 CD GLU A 61 7.593 -7.572 1.991 1.00 0.00 C ATOM 765 OE1 GLU A 61 8.435 -7.103 2.784 1.00 0.00 O ATOM 766 OE2 GLU A 61 7.910 -8.297 1.024 1.00 0.00 O ATOM 0 H GLU A 61 4.592 -6.230 -0.037 1.00 0.00 H new ATOM 0 HA GLU A 61 3.771 -6.034 2.661 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.341 -5.400 1.172 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.203 -5.239 2.911 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.837 -7.579 3.210 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.528 -7.832 1.504 1.00 0.00 H new ATOM 773 N GLU A 62 4.280 -3.193 1.081 1.00 0.00 N ATOM 774 CA GLU A 62 4.072 -1.751 1.174 1.00 0.00 C ATOM 775 C GLU A 62 2.598 -1.465 1.427 1.00 0.00 C ATOM 776 O GLU A 62 2.241 -0.657 2.285 1.00 0.00 O ATOM 777 CB GLU A 62 4.506 -1.037 -0.112 1.00 0.00 C ATOM 778 CG GLU A 62 5.738 -1.623 -0.786 1.00 0.00 C ATOM 779 CD GLU A 62 6.948 -1.713 0.121 1.00 0.00 C ATOM 780 OE1 GLU A 62 7.552 -0.665 0.425 1.00 0.00 O ATOM 781 OE2 GLU A 62 7.320 -2.840 0.503 1.00 0.00 O ATOM 0 H GLU A 62 4.599 -3.516 0.168 1.00 0.00 H new ATOM 0 HA GLU A 62 4.679 -1.377 1.998 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.677 -1.059 -0.820 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.700 0.010 0.119 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.498 -2.620 -1.156 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.991 -1.013 -1.653 1.00 0.00 H new ATOM 788 N ILE A 63 1.752 -2.158 0.673 1.00 0.00 N ATOM 789 CA ILE A 63 0.306 -2.005 0.773 1.00 0.00 C ATOM 790 C ILE A 63 -0.192 -2.420 2.158 1.00 0.00 C ATOM 791 O ILE A 63 -0.989 -1.715 2.781 1.00 0.00 O ATOM 792 CB ILE A 63 -0.404 -2.852 -0.307 1.00 0.00 C ATOM 793 CG1 ILE A 63 0.080 -2.448 -1.702 1.00 0.00 C ATOM 794 CG2 ILE A 63 -1.914 -2.704 -0.205 1.00 0.00 C ATOM 795 CD1 ILE A 63 -0.407 -3.363 -2.805 1.00 0.00 C ATOM 0 H ILE A 63 2.049 -2.841 -0.024 1.00 0.00 H new ATOM 0 HA ILE A 63 0.070 -0.952 0.616 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.154 -3.900 -0.140 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.253 -1.432 -1.912 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.170 -2.434 -1.709 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.392 -3.309 -0.975 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.247 -3.038 0.778 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.187 -1.658 -0.344 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.024 -3.013 -3.764 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.052 -4.377 -2.620 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.497 -3.359 -2.827 1.00 0.00 H new ATOM 807 N CYS A 64 0.303 -3.559 2.633 1.00 0.00 N ATOM 808 CA CYS A 64 -0.084 -4.103 3.932 1.00 0.00 C ATOM 809 C CYS A 64 0.182 -3.100 5.056 1.00 0.00 C ATOM 810 O CYS A 64 -0.667 -2.886 5.927 1.00 0.00 O ATOM 811 CB CYS A 64 0.683 -5.406 4.191 1.00 0.00 C ATOM 812 SG CYS A 64 0.325 -6.190 5.780 1.00 0.00 S ATOM 0 H CYS A 64 0.982 -4.130 2.130 1.00 0.00 H new ATOM 0 HA CYS A 64 -1.155 -4.307 3.916 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.453 -6.112 3.393 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.752 -5.200 4.136 1.00 0.00 H new ATOM 0 HG CYS A 64 -0.960 -6.209 5.975 1.00 0.00 H new ATOM 818 N GLU A 65 1.356 -2.483 5.028 1.00 0.00 N ATOM 819 CA GLU A 65 1.731 -1.522 6.044 1.00 0.00 C ATOM 820 C GLU A 65 0.875 -0.262 5.941 1.00 0.00 C ATOM 821 O GLU A 65 0.337 0.213 6.940 1.00 0.00 O ATOM 822 CB GLU A 65 3.213 -1.179 5.918 1.00 0.00 C ATOM 823 CG GLU A 65 3.645 -0.066 6.846 1.00 0.00 C ATOM 824 CD GLU A 65 5.140 0.163 6.840 1.00 0.00 C ATOM 825 OE1 GLU A 65 5.872 -0.606 7.501 1.00 0.00 O ATOM 826 OE2 GLU A 65 5.595 1.118 6.184 1.00 0.00 O ATOM 0 H GLU A 65 2.063 -2.635 4.309 1.00 0.00 H new ATOM 0 HA GLU A 65 1.557 -1.966 7.024 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.805 -2.070 6.128 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.427 -0.890 4.889 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.141 0.856 6.557 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.323 -0.301 7.861 1.00 0.00 H new ATOM 833 N ALA A 66 0.737 0.253 4.724 1.00 0.00 N ATOM 834 CA ALA A 66 -0.036 1.467 4.476 1.00 0.00 C ATOM 835 C ALA A 66 -1.470 1.324 4.964 1.00 0.00 C ATOM 836 O ALA A 66 -2.026 2.248 5.558 1.00 0.00 O ATOM 837 CB ALA A 66 -0.024 1.805 2.997 1.00 0.00 C ATOM 0 H ALA A 66 1.154 -0.155 3.887 1.00 0.00 H new ATOM 0 HA ALA A 66 0.432 2.278 5.035 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.604 2.712 2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.003 1.964 2.668 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.463 0.982 2.432 1.00 0.00 H new ATOM 843 N PHE A 67 -2.062 0.163 4.717 1.00 0.00 N ATOM 844 CA PHE A 67 -3.413 -0.117 5.180 1.00 0.00 C ATOM 845 C PHE A 67 -3.501 -0.014 6.698 1.00 0.00 C ATOM 846 O PHE A 67 -4.394 0.642 7.236 1.00 0.00 O ATOM 847 CB PHE A 67 -3.865 -1.504 4.721 1.00 0.00 C ATOM 848 CG PHE A 67 -4.744 -1.473 3.506 1.00 0.00 C ATOM 849 CD1 PHE A 67 -4.209 -1.554 2.232 1.00 0.00 C ATOM 850 CD2 PHE A 67 -6.115 -1.359 3.644 1.00 0.00 C ATOM 851 CE1 PHE A 67 -5.028 -1.522 1.120 1.00 0.00 C ATOM 852 CE2 PHE A 67 -6.938 -1.328 2.539 1.00 0.00 C ATOM 853 CZ PHE A 67 -6.395 -1.409 1.275 1.00 0.00 C ATOM 0 H PHE A 67 -1.627 -0.600 4.198 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.077 0.630 4.744 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.986 -2.113 4.509 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.401 -1.991 5.536 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.140 -1.643 2.106 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.547 -1.293 4.632 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.599 -1.585 0.131 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -8.007 -1.240 2.664 1.00 0.00 H new ATOM 0 HZ PHE A 67 -7.038 -1.384 0.407 1.00 0.00 H new ATOM 863 N THR A 68 -2.565 -0.643 7.386 1.00 0.00 N ATOM 864 CA THR A 68 -2.556 -0.619 8.838 1.00 0.00 C ATOM 865 C THR A 68 -2.341 0.810 9.345 1.00 0.00 C ATOM 866 O THR A 68 -2.882 1.210 10.379 1.00 0.00 O ATOM 867 CB THR A 68 -1.471 -1.557 9.399 1.00 0.00 C ATOM 868 OG1 THR A 68 -1.571 -2.848 8.770 1.00 0.00 O ATOM 869 CG2 THR A 68 -1.623 -1.712 10.904 1.00 0.00 C ATOM 0 H THR A 68 -1.804 -1.175 6.965 1.00 0.00 H new ATOM 0 HA THR A 68 -3.525 -0.974 9.190 1.00 0.00 H new ATOM 0 HB THR A 68 -0.494 -1.121 9.188 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.172 -2.808 7.876 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.847 -2.378 11.281 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.528 -0.737 11.382 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.603 -2.132 11.129 1.00 0.00 H new ATOM 877 N LYS A 69 -1.576 1.583 8.582 1.00 0.00 N ATOM 878 CA LYS A 69 -1.297 2.974 8.910 1.00 0.00 C ATOM 879 C LYS A 69 -2.555 3.841 8.853 1.00 0.00 C ATOM 880 O LYS A 69 -2.695 4.790 9.624 1.00 0.00 O ATOM 881 CB LYS A 69 -0.253 3.534 7.945 1.00 0.00 C ATOM 882 CG LYS A 69 1.142 2.975 8.160 1.00 0.00 C ATOM 883 CD LYS A 69 2.042 3.989 8.840 1.00 0.00 C ATOM 884 CE LYS A 69 2.361 5.151 7.917 1.00 0.00 C ATOM 885 NZ LYS A 69 3.192 6.184 8.583 1.00 0.00 N ATOM 0 H LYS A 69 -1.133 1.263 7.721 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.918 2.999 9.932 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.566 3.322 6.923 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.220 4.618 8.049 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.085 2.071 8.767 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.573 2.688 7.201 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.557 4.361 9.742 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.968 3.505 9.152 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.884 4.780 7.035 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.432 5.603 7.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.385 6.958 7.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.684 6.558 9.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.091 5.761 8.892 1.00 0.00 H new ATOM 899 N VAL A 70 -3.465 3.525 7.939 1.00 0.00 N ATOM 900 CA VAL A 70 -4.672 4.331 7.769 1.00 0.00 C ATOM 901 C VAL A 70 -5.805 3.847 8.669 1.00 0.00 C ATOM 902 O VAL A 70 -6.927 4.347 8.592 1.00 0.00 O ATOM 903 CB VAL A 70 -5.158 4.359 6.302 1.00 0.00 C ATOM 904 CG1 VAL A 70 -4.067 4.902 5.397 1.00 0.00 C ATOM 905 CG2 VAL A 70 -5.606 2.981 5.834 1.00 0.00 C ATOM 0 H VAL A 70 -3.394 2.726 7.309 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.397 5.345 8.059 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.023 5.021 6.249 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.423 4.916 4.367 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.809 5.915 5.706 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.185 4.265 5.468 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.941 3.040 4.798 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.772 2.283 5.907 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.426 2.633 6.461 1.00 0.00 H new ATOM 915 N GLY A 71 -5.508 2.884 9.529 1.00 0.00 N ATOM 916 CA GLY A 71 -6.508 2.388 10.453 1.00 0.00 C ATOM 917 C GLY A 71 -7.284 1.219 9.887 1.00 0.00 C ATOM 918 O GLY A 71 -8.410 0.947 10.306 1.00 0.00 O ATOM 0 H GLY A 71 -4.594 2.437 9.604 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.023 2.084 11.381 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.199 3.193 10.703 1.00 0.00 H new ATOM 922 N GLN A 72 -6.693 0.541 8.919 1.00 0.00 N ATOM 923 CA GLN A 72 -7.291 -0.657 8.357 1.00 0.00 C ATOM 924 C GLN A 72 -6.279 -1.797 8.395 1.00 0.00 C ATOM 925 O GLN A 72 -5.500 -1.975 7.464 1.00 0.00 O ATOM 926 CB GLN A 72 -7.731 -0.394 6.915 1.00 0.00 C ATOM 927 CG GLN A 72 -8.451 -1.563 6.265 1.00 0.00 C ATOM 928 CD GLN A 72 -9.860 -1.735 6.781 1.00 0.00 C ATOM 929 OE1 GLN A 72 -10.099 -2.439 7.762 1.00 0.00 O ATOM 930 NE2 GLN A 72 -10.804 -1.092 6.116 1.00 0.00 N ATOM 0 H GLN A 72 -5.798 0.800 8.505 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.166 -0.934 8.946 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.386 0.477 6.899 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.854 -0.144 6.318 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.479 -1.413 5.186 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.887 -2.478 6.446 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.559 -0.519 5.308 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.778 -1.168 6.411 1.00 0.00 H new ATOM 939 N PRO A 73 -6.269 -2.584 9.474 1.00 0.00 N ATOM 940 CA PRO A 73 -5.298 -3.659 9.631 1.00 0.00 C ATOM 941 C PRO A 73 -5.552 -4.809 8.664 1.00 0.00 C ATOM 942 O PRO A 73 -6.491 -5.594 8.827 1.00 0.00 O ATOM 943 CB PRO A 73 -5.469 -4.105 11.081 1.00 0.00 C ATOM 944 CG PRO A 73 -6.850 -3.691 11.457 1.00 0.00 C ATOM 945 CD PRO A 73 -7.183 -2.482 10.625 1.00 0.00 C ATOM 0 HA PRO A 73 -4.284 -3.327 9.408 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.341 -5.183 11.179 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.727 -3.636 11.727 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.560 -4.497 11.269 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.907 -3.457 12.520 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.226 -2.489 10.309 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.024 -1.558 11.181 1.00 0.00 H new ATOM 953 N LYS A 74 -4.727 -4.876 7.637 1.00 0.00 N ATOM 954 CA LYS A 74 -4.796 -5.948 6.663 1.00 0.00 C ATOM 955 C LYS A 74 -3.527 -6.772 6.734 1.00 0.00 C ATOM 956 O LYS A 74 -2.433 -6.220 6.855 1.00 0.00 O ATOM 957 CB LYS A 74 -4.972 -5.383 5.249 1.00 0.00 C ATOM 958 CG LYS A 74 -6.317 -4.715 5.017 1.00 0.00 C ATOM 959 CD LYS A 74 -7.447 -5.728 5.037 1.00 0.00 C ATOM 960 CE LYS A 74 -8.806 -5.054 4.979 1.00 0.00 C ATOM 961 NZ LYS A 74 -9.919 -6.038 5.040 1.00 0.00 N ATOM 0 H LYS A 74 -3.993 -4.192 7.455 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.656 -6.578 6.891 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.180 -4.660 5.056 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.849 -6.191 4.527 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.488 -3.961 5.785 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.307 -4.197 4.058 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.341 -6.408 4.191 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.379 -6.332 5.942 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.898 -4.351 5.807 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.884 -4.475 4.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.426 -6.045 4.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.535 -6.986 5.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.576 -5.772 5.801 1.00 0.00 H new ATOM 975 N THR A 75 -3.669 -8.080 6.673 1.00 0.00 N ATOM 976 CA THR A 75 -2.517 -8.959 6.704 1.00 0.00 C ATOM 977 C THR A 75 -1.895 -9.058 5.320 1.00 0.00 C ATOM 978 O THR A 75 -2.531 -8.717 4.317 1.00 0.00 O ATOM 979 CB THR A 75 -2.893 -10.369 7.203 1.00 0.00 C ATOM 980 OG1 THR A 75 -3.907 -10.934 6.363 1.00 0.00 O ATOM 981 CG2 THR A 75 -3.386 -10.321 8.642 1.00 0.00 C ATOM 0 H THR A 75 -4.568 -8.557 6.602 1.00 0.00 H new ATOM 0 HA THR A 75 -1.796 -8.532 7.401 1.00 0.00 H new ATOM 0 HB THR A 75 -2.001 -10.994 7.163 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.138 -11.830 6.687 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.645 -11.327 8.972 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.600 -9.920 9.283 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.266 -9.681 8.704 1.00 0.00 H new ATOM 989 N LEU A 76 -0.656 -9.518 5.268 1.00 0.00 N ATOM 990 CA LEU A 76 0.030 -9.716 4.003 1.00 0.00 C ATOM 991 C LEU A 76 -0.714 -10.760 3.182 1.00 0.00 C ATOM 992 O LEU A 76 -0.775 -10.687 1.953 1.00 0.00 O ATOM 993 CB LEU A 76 1.474 -10.154 4.250 1.00 0.00 C ATOM 994 CG LEU A 76 2.319 -10.346 2.993 1.00 0.00 C ATOM 995 CD1 LEU A 76 2.405 -9.046 2.211 1.00 0.00 C ATOM 996 CD2 LEU A 76 3.707 -10.848 3.357 1.00 0.00 C ATOM 0 H LEU A 76 -0.104 -9.762 6.090 1.00 0.00 H new ATOM 0 HA LEU A 76 0.049 -8.777 3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.959 -9.412 4.884 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.462 -11.091 4.807 1.00 0.00 H new ATOM 0 HG LEU A 76 1.840 -11.095 2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.011 -9.198 1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.403 -8.729 1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.863 -8.277 2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.296 -10.979 2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.198 -10.123 4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.624 -11.802 3.877 1.00 0.00 H new ATOM 1008 N ASN A 77 -1.299 -11.714 3.889 1.00 0.00 N ATOM 1009 CA ASN A 77 -2.099 -12.764 3.277 1.00 0.00 C ATOM 1010 C ASN A 77 -3.305 -12.169 2.561 1.00 0.00 C ATOM 1011 O ASN A 77 -3.610 -12.540 1.426 1.00 0.00 O ATOM 1012 CB ASN A 77 -2.564 -13.749 4.349 1.00 0.00 C ATOM 1013 CG ASN A 77 -3.318 -14.936 3.776 1.00 0.00 C ATOM 1014 OD1 ASN A 77 -3.072 -15.361 2.646 1.00 0.00 O ATOM 1015 ND2 ASN A 77 -4.241 -15.478 4.554 1.00 0.00 N ATOM 0 H ASN A 77 -1.233 -11.782 4.905 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.486 -13.289 2.545 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.698 -14.109 4.904 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.204 -13.228 5.061 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.780 -16.279 4.224 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -4.413 -15.095 5.484 1.00 0.00 H new ATOM 1022 N GLU A 78 -3.979 -11.235 3.230 1.00 0.00 N ATOM 1023 CA GLU A 78 -5.148 -10.571 2.657 1.00 0.00 C ATOM 1024 C GLU A 78 -4.790 -9.854 1.367 1.00 0.00 C ATOM 1025 O GLU A 78 -5.479 -10.000 0.364 1.00 0.00 O ATOM 1026 CB GLU A 78 -5.760 -9.577 3.646 1.00 0.00 C ATOM 1027 CG GLU A 78 -6.533 -10.238 4.771 1.00 0.00 C ATOM 1028 CD GLU A 78 -7.045 -9.246 5.794 1.00 0.00 C ATOM 1029 OE1 GLU A 78 -6.309 -8.946 6.757 1.00 0.00 O ATOM 1030 OE2 GLU A 78 -8.191 -8.771 5.652 1.00 0.00 O ATOM 0 H GLU A 78 -3.735 -10.921 4.169 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.884 -11.344 2.438 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.965 -8.966 4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.425 -8.903 3.106 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.376 -10.788 4.352 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.892 -10.966 5.267 1.00 0.00 H new ATOM 1037 N ILE A 79 -3.697 -9.105 1.393 1.00 0.00 N ATOM 1038 CA ILE A 79 -3.282 -8.325 0.234 1.00 0.00 C ATOM 1039 C ILE A 79 -3.039 -9.238 -0.969 1.00 0.00 C ATOM 1040 O ILE A 79 -3.512 -8.966 -2.073 1.00 0.00 O ATOM 1041 CB ILE A 79 -2.007 -7.508 0.539 1.00 0.00 C ATOM 1042 CG1 ILE A 79 -2.216 -6.626 1.780 1.00 0.00 C ATOM 1043 CG2 ILE A 79 -1.612 -6.657 -0.660 1.00 0.00 C ATOM 1044 CD1 ILE A 79 -3.410 -5.695 1.687 1.00 0.00 C ATOM 0 H ILE A 79 -3.082 -9.020 2.202 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.088 -7.630 -0.004 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.196 -8.206 0.744 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.337 -7.268 2.652 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.318 -6.031 1.945 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.712 -6.090 -0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.419 -7.303 -1.517 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.422 -5.968 -0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.486 -5.109 2.603 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.284 -5.025 0.836 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.319 -6.281 1.555 1.00 0.00 H new ATOM 1056 N LYS A 80 -2.326 -10.332 -0.740 1.00 0.00 N ATOM 1057 CA LYS A 80 -2.054 -11.305 -1.795 1.00 0.00 C ATOM 1058 C LYS A 80 -3.340 -11.964 -2.282 1.00 0.00 C ATOM 1059 O LYS A 80 -3.507 -12.226 -3.473 1.00 0.00 O ATOM 1060 CB LYS A 80 -1.077 -12.366 -1.292 1.00 0.00 C ATOM 1061 CG LYS A 80 0.263 -11.787 -0.888 1.00 0.00 C ATOM 1062 CD LYS A 80 1.270 -12.873 -0.547 1.00 0.00 C ATOM 1063 CE LYS A 80 2.659 -12.294 -0.327 1.00 0.00 C ATOM 1064 NZ LYS A 80 3.257 -11.777 -1.586 1.00 0.00 N ATOM 0 H LYS A 80 -1.924 -10.570 0.167 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.606 -10.776 -2.636 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.516 -12.882 -0.439 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.925 -13.112 -2.072 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.653 -11.173 -1.700 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.131 -11.131 -0.027 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.948 -13.401 0.351 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.303 -13.606 -1.353 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.603 -11.488 0.405 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.309 -13.062 0.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.274 -11.613 -1.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.120 -12.473 -2.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.795 -10.883 -1.848 1.00 0.00 H new ATOM 1078 N ARG A 81 -4.241 -12.235 -1.351 1.00 0.00 N ATOM 1079 CA ARG A 81 -5.532 -12.841 -1.668 1.00 0.00 C ATOM 1080 C ARG A 81 -6.387 -11.891 -2.504 1.00 0.00 C ATOM 1081 O ARG A 81 -7.053 -12.305 -3.450 1.00 0.00 O ATOM 1082 CB ARG A 81 -6.274 -13.204 -0.380 1.00 0.00 C ATOM 1083 CG ARG A 81 -7.630 -13.865 -0.601 1.00 0.00 C ATOM 1084 CD ARG A 81 -7.500 -15.311 -1.060 1.00 0.00 C ATOM 1085 NE ARG A 81 -7.037 -15.436 -2.444 1.00 0.00 N ATOM 1086 CZ ARG A 81 -6.373 -16.494 -2.911 1.00 0.00 C ATOM 1087 NH1 ARG A 81 -6.053 -17.497 -2.101 1.00 0.00 N ATOM 1088 NH2 ARG A 81 -6.034 -16.548 -4.193 1.00 0.00 N ATOM 0 H ARG A 81 -4.103 -12.044 -0.359 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.350 -13.746 -2.247 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.648 -13.874 0.209 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.416 -12.299 0.211 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.204 -13.830 0.325 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.191 -13.299 -1.345 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.805 -15.833 -0.402 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.466 -15.806 -0.961 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.234 -14.670 -3.088 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.315 -17.461 -1.116 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.545 -18.304 -2.464 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.281 -15.781 -4.819 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.526 -17.356 -4.553 1.00 0.00 H new ATOM 1102 N ILE A 82 -6.362 -10.619 -2.141 1.00 0.00 N ATOM 1103 CA ILE A 82 -7.122 -9.592 -2.842 1.00 0.00 C ATOM 1104 C ILE A 82 -6.587 -9.377 -4.258 1.00 0.00 C ATOM 1105 O ILE A 82 -7.341 -9.065 -5.183 1.00 0.00 O ATOM 1106 CB ILE A 82 -7.084 -8.266 -2.051 1.00 0.00 C ATOM 1107 CG1 ILE A 82 -7.834 -8.433 -0.725 1.00 0.00 C ATOM 1108 CG2 ILE A 82 -7.687 -7.128 -2.861 1.00 0.00 C ATOM 1109 CD1 ILE A 82 -7.548 -7.347 0.292 1.00 0.00 C ATOM 0 H ILE A 82 -5.816 -10.268 -1.354 1.00 0.00 H new ATOM 0 HA ILE A 82 -8.155 -9.931 -2.919 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.043 -8.015 -1.846 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -8.905 -8.453 -0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.573 -9.399 -0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.647 -6.207 -2.280 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.122 -6.999 -3.784 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.725 -7.361 -3.100 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.118 -7.540 1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.483 -7.339 0.526 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.837 -6.379 -0.118 1.00 0.00 H new ATOM 1121 N LEU A 83 -5.287 -9.557 -4.425 1.00 0.00 N ATOM 1122 CA LEU A 83 -4.658 -9.415 -5.731 1.00 0.00 C ATOM 1123 C LEU A 83 -4.901 -10.649 -6.593 1.00 0.00 C ATOM 1124 O LEU A 83 -4.811 -10.592 -7.819 1.00 0.00 O ATOM 1125 CB LEU A 83 -3.157 -9.175 -5.570 1.00 0.00 C ATOM 1126 CG LEU A 83 -2.779 -7.833 -4.942 1.00 0.00 C ATOM 1127 CD1 LEU A 83 -1.286 -7.775 -4.665 1.00 0.00 C ATOM 1128 CD2 LEU A 83 -3.196 -6.685 -5.849 1.00 0.00 C ATOM 0 H LEU A 83 -4.644 -9.802 -3.672 1.00 0.00 H new ATOM 0 HA LEU A 83 -5.106 -8.556 -6.231 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.740 -9.975 -4.958 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.686 -9.245 -6.551 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.309 -7.736 -3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.036 -6.813 -4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.012 -8.576 -3.978 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.738 -7.895 -5.599 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.920 -5.737 -5.387 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.693 -6.780 -6.811 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.275 -6.714 -6.000 1.00 0.00 H new ATOM 1140 N SER A 84 -5.223 -11.761 -5.952 1.00 0.00 N ATOM 1141 CA SER A 84 -5.427 -13.012 -6.661 1.00 0.00 C ATOM 1142 C SER A 84 -6.812 -13.578 -6.363 1.00 0.00 C ATOM 1143 O SER A 84 -7.779 -13.181 -7.045 1.00 0.00 O ATOM 1144 CB SER A 84 -4.345 -14.010 -6.263 1.00 0.00 C ATOM 1145 OG SER A 84 -3.061 -13.414 -6.357 1.00 0.00 O ATOM 1146 OXT SER A 84 -6.930 -14.409 -5.441 1.00 0.00 O ATOM 0 H SER A 84 -5.349 -11.822 -4.942 1.00 0.00 H new ATOM 0 HA SER A 84 -5.361 -12.826 -7.733 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.518 -14.356 -5.244 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.394 -14.886 -6.910 1.00 0.00 H new ATOM 0 HG SER A 84 -2.858 -12.942 -5.523 1.00 0.00 H new