USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=14 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 Set 1.1: A 44 THR OG1 : rot 180:sc= -0.439 USER MOD Set 1.2: A 49 LYS NZ :NH3+ 179:sc= -1.21! (180deg=-1.31!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 1.13 K(o=1.1,f=-0.16) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0933 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -174:sc= -1.24 USER MOD Single : A 51 HIS : no HD1:sc= 1.12 K(o=1.1,f=-4!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 33:sc= 1.29 USER MOD Single : A 68 THR OG1 : rot 78:sc= 0.763 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.0668 X(o=-0.067,f=-0.073) USER MOD Single : A 74 LYS NZ :NH3+ -170:sc= 1.24 (180deg=1.08) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.0152 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 200 N LYS A 27 7.907 6.169 0.737 1.00 0.00 N ATOM 201 CA LYS A 27 7.088 7.094 -0.031 1.00 0.00 C ATOM 202 C LYS A 27 5.950 6.350 -0.719 1.00 0.00 C ATOM 203 O LYS A 27 4.860 6.892 -0.881 1.00 0.00 O ATOM 204 CB LYS A 27 7.922 7.878 -1.056 1.00 0.00 C ATOM 205 CG LYS A 27 8.399 7.062 -2.245 1.00 0.00 C ATOM 206 CD LYS A 27 9.191 7.915 -3.220 1.00 0.00 C ATOM 207 CE LYS A 27 9.652 7.109 -4.423 1.00 0.00 C ATOM 208 NZ LYS A 27 10.468 7.926 -5.358 1.00 0.00 N ATOM 0 HA LYS A 27 6.665 7.818 0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.328 8.716 -1.422 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.791 8.300 -0.551 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.018 6.235 -1.896 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.541 6.624 -2.756 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.577 8.751 -3.555 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.057 8.340 -2.712 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.236 6.253 -4.084 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.783 6.714 -4.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.763 7.340 -6.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.903 8.729 -5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.310 8.282 -4.863 1.00 0.00 H new ATOM 222 N ARG A 28 6.196 5.101 -1.105 1.00 0.00 N ATOM 223 CA ARG A 28 5.154 4.274 -1.699 1.00 0.00 C ATOM 224 C ARG A 28 4.064 3.996 -0.675 1.00 0.00 C ATOM 225 O ARG A 28 2.875 4.124 -0.969 1.00 0.00 O ATOM 226 CB ARG A 28 5.721 2.957 -2.225 1.00 0.00 C ATOM 227 CG ARG A 28 6.666 3.123 -3.400 1.00 0.00 C ATOM 228 CD ARG A 28 7.035 1.781 -4.009 1.00 0.00 C ATOM 229 NE ARG A 28 7.691 0.899 -3.045 1.00 0.00 N ATOM 230 CZ ARG A 28 8.776 0.171 -3.308 1.00 0.00 C ATOM 231 NH1 ARG A 28 9.358 0.227 -4.499 1.00 0.00 N ATOM 232 NH2 ARG A 28 9.281 -0.608 -2.366 1.00 0.00 N ATOM 0 H ARG A 28 7.103 4.643 -1.017 1.00 0.00 H new ATOM 0 HA ARG A 28 4.731 4.820 -2.542 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.247 2.450 -1.416 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.896 2.310 -2.523 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.199 3.752 -4.158 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.570 3.636 -3.072 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.135 1.297 -4.389 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.695 1.940 -4.861 1.00 0.00 H new ATOM 0 HE ARG A 28 7.292 0.837 -2.109 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.976 0.832 -5.226 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.188 -0.335 -4.688 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.840 -0.648 -1.447 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.111 -1.169 -2.559 1.00 0.00 H new ATOM 246 N VAL A 29 4.479 3.638 0.535 1.00 0.00 N ATOM 247 CA VAL A 29 3.544 3.442 1.631 1.00 0.00 C ATOM 248 C VAL A 29 2.795 4.739 1.910 1.00 0.00 C ATOM 249 O VAL A 29 1.577 4.744 2.022 1.00 0.00 O ATOM 250 CB VAL A 29 4.262 2.967 2.917 1.00 0.00 C ATOM 251 CG1 VAL A 29 3.300 2.908 4.099 1.00 0.00 C ATOM 252 CG2 VAL A 29 4.907 1.608 2.691 1.00 0.00 C ATOM 0 H VAL A 29 5.456 3.478 0.779 1.00 0.00 H new ATOM 0 HA VAL A 29 2.840 2.665 1.333 1.00 0.00 H new ATOM 0 HB VAL A 29 5.040 3.692 3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.835 2.571 4.987 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.885 3.899 4.280 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.492 2.211 3.876 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.408 1.287 3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.140 0.881 2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.636 1.681 1.884 1.00 0.00 H new ATOM 262 N SER A 30 3.533 5.839 1.976 1.00 0.00 N ATOM 263 CA SER A 30 2.953 7.148 2.252 1.00 0.00 C ATOM 264 C SER A 30 1.914 7.528 1.191 1.00 0.00 C ATOM 265 O SER A 30 0.837 8.027 1.522 1.00 0.00 O ATOM 266 CB SER A 30 4.061 8.203 2.323 1.00 0.00 C ATOM 267 OG SER A 30 3.580 9.431 2.845 1.00 0.00 O ATOM 0 H SER A 30 4.544 5.851 1.841 1.00 0.00 H new ATOM 0 HA SER A 30 2.442 7.103 3.214 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.875 7.835 2.948 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.473 8.367 1.327 1.00 0.00 H new ATOM 0 HG SER A 30 4.312 10.081 2.878 1.00 0.00 H new ATOM 273 N ASN A 31 2.229 7.271 -0.079 1.00 0.00 N ATOM 274 CA ASN A 31 1.294 7.535 -1.175 1.00 0.00 C ATOM 275 C ASN A 31 0.032 6.700 -1.016 1.00 0.00 C ATOM 276 O ASN A 31 -1.069 7.152 -1.319 1.00 0.00 O ATOM 277 CB ASN A 31 1.932 7.242 -2.536 1.00 0.00 C ATOM 278 CG ASN A 31 2.685 8.430 -3.102 1.00 0.00 C ATOM 279 OD1 ASN A 31 2.112 9.264 -3.803 1.00 0.00 O ATOM 280 ND2 ASN A 31 3.972 8.514 -2.816 1.00 0.00 N ATOM 0 H ASN A 31 3.124 6.881 -0.375 1.00 0.00 H new ATOM 0 HA ASN A 31 1.035 8.593 -1.134 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.615 6.399 -2.437 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.155 6.942 -3.239 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.526 9.290 -3.180 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.412 7.803 -2.231 1.00 0.00 H new ATOM 287 N ALA A 32 0.206 5.482 -0.539 1.00 0.00 N ATOM 288 CA ALA A 32 -0.912 4.584 -0.302 1.00 0.00 C ATOM 289 C ALA A 32 -1.718 5.030 0.906 1.00 0.00 C ATOM 290 O ALA A 32 -2.941 5.026 0.872 1.00 0.00 O ATOM 291 CB ALA A 32 -0.418 3.162 -0.125 1.00 0.00 C ATOM 0 H ALA A 32 1.118 5.088 -0.306 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.568 4.615 -1.172 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.267 2.501 0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.108 2.845 -1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.261 3.116 0.726 1.00 0.00 H new ATOM 297 N VAL A 33 -1.026 5.441 1.957 1.00 0.00 N ATOM 298 CA VAL A 33 -1.679 5.913 3.170 1.00 0.00 C ATOM 299 C VAL A 33 -2.536 7.134 2.866 1.00 0.00 C ATOM 300 O VAL A 33 -3.697 7.208 3.271 1.00 0.00 O ATOM 301 CB VAL A 33 -0.641 6.272 4.263 1.00 0.00 C ATOM 302 CG1 VAL A 33 -1.312 6.837 5.504 1.00 0.00 C ATOM 303 CG2 VAL A 33 0.189 5.054 4.626 1.00 0.00 C ATOM 0 H VAL A 33 -0.007 5.457 1.995 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.310 5.106 3.542 1.00 0.00 H new ATOM 0 HB VAL A 33 0.015 7.041 3.856 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.554 7.078 6.250 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.862 7.741 5.241 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.002 6.099 5.913 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.913 5.323 5.395 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.465 4.267 5.003 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.715 4.696 3.741 1.00 0.00 H new ATOM 313 N GLU A 34 -1.971 8.075 2.127 1.00 0.00 N ATOM 314 CA GLU A 34 -2.688 9.287 1.770 1.00 0.00 C ATOM 315 C GLU A 34 -3.827 8.978 0.793 1.00 0.00 C ATOM 316 O GLU A 34 -4.877 9.620 0.831 1.00 0.00 O ATOM 317 CB GLU A 34 -1.725 10.320 1.182 1.00 0.00 C ATOM 318 CG GLU A 34 -1.214 9.980 -0.201 1.00 0.00 C ATOM 319 CD GLU A 34 -0.416 11.106 -0.810 1.00 0.00 C ATOM 320 OE1 GLU A 34 0.763 11.278 -0.435 1.00 0.00 O ATOM 321 OE2 GLU A 34 -0.965 11.830 -1.663 1.00 0.00 O ATOM 0 H GLU A 34 -1.019 8.023 1.763 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.130 9.707 2.674 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.227 11.287 1.143 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.874 10.430 1.854 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.593 9.086 -0.147 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.058 9.743 -0.849 1.00 0.00 H new ATOM 328 N PHE A 35 -3.616 7.990 -0.075 1.00 0.00 N ATOM 329 CA PHE A 35 -4.630 7.583 -1.045 1.00 0.00 C ATOM 330 C PHE A 35 -5.779 6.864 -0.350 1.00 0.00 C ATOM 331 O PHE A 35 -6.947 7.128 -0.620 1.00 0.00 O ATOM 332 CB PHE A 35 -3.998 6.667 -2.101 1.00 0.00 C ATOM 333 CG PHE A 35 -4.971 6.093 -3.091 1.00 0.00 C ATOM 334 CD1 PHE A 35 -5.387 4.773 -2.987 1.00 0.00 C ATOM 335 CD2 PHE A 35 -5.467 6.867 -4.124 1.00 0.00 C ATOM 336 CE1 PHE A 35 -6.278 4.240 -3.898 1.00 0.00 C ATOM 337 CE2 PHE A 35 -6.360 6.339 -5.038 1.00 0.00 C ATOM 338 CZ PHE A 35 -6.767 5.024 -4.924 1.00 0.00 C ATOM 0 H PHE A 35 -2.749 7.455 -0.126 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.026 8.474 -1.532 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -3.237 7.229 -2.643 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.488 5.847 -1.594 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -5.010 4.156 -2.185 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.153 7.896 -4.218 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -6.592 3.211 -3.808 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.739 6.954 -5.841 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.466 4.610 -5.636 1.00 0.00 H new ATOM 348 N LEU A 36 -5.434 5.980 0.568 1.00 0.00 N ATOM 349 CA LEU A 36 -6.419 5.220 1.318 1.00 0.00 C ATOM 350 C LEU A 36 -7.228 6.133 2.234 1.00 0.00 C ATOM 351 O LEU A 36 -8.405 5.886 2.493 1.00 0.00 O ATOM 352 CB LEU A 36 -5.721 4.132 2.132 1.00 0.00 C ATOM 353 CG LEU A 36 -5.067 3.015 1.315 1.00 0.00 C ATOM 354 CD1 LEU A 36 -4.331 2.053 2.232 1.00 0.00 C ATOM 355 CD2 LEU A 36 -6.100 2.276 0.486 1.00 0.00 C ATOM 0 H LEU A 36 -4.467 5.769 0.815 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.108 4.753 0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.956 4.600 2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.450 3.685 2.808 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.347 3.466 0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.871 1.264 1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.558 2.592 2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.035 1.612 2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.611 1.487 -0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.848 1.836 1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.584 2.973 -0.198 1.00 0.00 H new ATOM 367 N LEU A 37 -6.586 7.187 2.724 1.00 0.00 N ATOM 368 CA LEU A 37 -7.231 8.129 3.630 1.00 0.00 C ATOM 369 C LEU A 37 -7.937 9.255 2.888 1.00 0.00 C ATOM 370 O LEU A 37 -8.440 10.194 3.509 1.00 0.00 O ATOM 371 CB LEU A 37 -6.210 8.718 4.601 1.00 0.00 C ATOM 372 CG LEU A 37 -5.967 7.886 5.855 1.00 0.00 C ATOM 373 CD1 LEU A 37 -4.891 8.518 6.723 1.00 0.00 C ATOM 374 CD2 LEU A 37 -7.265 7.740 6.628 1.00 0.00 C ATOM 0 H LEU A 37 -5.615 7.411 2.508 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.986 7.570 4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.263 8.845 4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.545 9.711 4.900 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.616 6.897 5.560 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.735 7.907 7.612 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.960 8.583 6.159 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.205 9.518 7.021 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.090 7.145 7.524 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.632 8.726 6.913 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.007 7.244 6.003 1.00 0.00 H new ATOM 386 N ASP A 38 -7.989 9.170 1.571 1.00 0.00 N ATOM 387 CA ASP A 38 -8.653 10.197 0.787 1.00 0.00 C ATOM 388 C ASP A 38 -10.163 10.007 0.871 1.00 0.00 C ATOM 389 O ASP A 38 -10.653 8.879 0.810 1.00 0.00 O ATOM 390 CB ASP A 38 -8.189 10.152 -0.674 1.00 0.00 C ATOM 391 CG ASP A 38 -8.659 11.345 -1.488 1.00 0.00 C ATOM 392 OD1 ASP A 38 -9.861 11.421 -1.816 1.00 0.00 O ATOM 393 OD2 ASP A 38 -7.820 12.213 -1.820 1.00 0.00 O ATOM 0 H ASP A 38 -7.584 8.409 1.026 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.391 11.174 1.193 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.100 10.108 -0.701 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.557 9.237 -1.137 1.00 0.00 H new ATOM 398 N SER A 39 -10.896 11.104 1.016 1.00 0.00 N ATOM 399 CA SER A 39 -12.341 11.043 1.192 1.00 0.00 C ATOM 400 C SER A 39 -13.029 10.367 0.006 1.00 0.00 C ATOM 401 O SER A 39 -14.039 9.687 0.179 1.00 0.00 O ATOM 402 CB SER A 39 -12.905 12.450 1.399 1.00 0.00 C ATOM 403 OG SER A 39 -12.333 13.068 2.541 1.00 0.00 O ATOM 0 H SER A 39 -10.512 12.049 1.015 1.00 0.00 H new ATOM 0 HA SER A 39 -12.542 10.439 2.077 1.00 0.00 H new ATOM 0 HB2 SER A 39 -12.707 13.058 0.516 1.00 0.00 H new ATOM 0 HB3 SER A 39 -13.988 12.398 1.514 1.00 0.00 H new ATOM 0 HG SER A 39 -12.709 13.966 2.650 1.00 0.00 H new ATOM 409 N ARG A 40 -12.495 10.553 -1.194 1.00 0.00 N ATOM 410 CA ARG A 40 -13.068 9.926 -2.374 1.00 0.00 C ATOM 411 C ARG A 40 -12.815 8.414 -2.344 1.00 0.00 C ATOM 412 O ARG A 40 -13.696 7.616 -2.664 1.00 0.00 O ATOM 413 CB ARG A 40 -12.504 10.568 -3.656 1.00 0.00 C ATOM 414 CG ARG A 40 -11.313 9.839 -4.255 1.00 0.00 C ATOM 415 CD ARG A 40 -10.563 10.692 -5.261 1.00 0.00 C ATOM 416 NE ARG A 40 -9.663 11.631 -4.597 1.00 0.00 N ATOM 417 CZ ARG A 40 -8.786 12.406 -5.230 1.00 0.00 C ATOM 418 NH1 ARG A 40 -8.719 12.401 -6.557 1.00 0.00 N ATOM 419 NH2 ARG A 40 -7.978 13.194 -4.533 1.00 0.00 N ATOM 0 H ARG A 40 -11.672 11.129 -1.374 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.146 10.087 -2.373 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -13.297 10.616 -4.402 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -12.212 11.595 -3.435 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -10.633 9.540 -3.457 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.656 8.925 -4.740 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.991 10.049 -5.931 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.275 11.242 -5.877 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.710 11.697 -3.580 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.342 11.801 -7.097 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.044 12.998 -7.036 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.030 13.205 -3.514 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.305 13.789 -5.016 1.00 0.00 H new ATOM 433 N VAL A 41 -11.610 8.032 -1.921 1.00 0.00 N ATOM 434 CA VAL A 41 -11.176 6.640 -1.960 1.00 0.00 C ATOM 435 C VAL A 41 -11.729 5.840 -0.786 1.00 0.00 C ATOM 436 O VAL A 41 -11.898 4.632 -0.874 1.00 0.00 O ATOM 437 CB VAL A 41 -9.636 6.532 -1.969 1.00 0.00 C ATOM 438 CG1 VAL A 41 -9.187 5.082 -2.084 1.00 0.00 C ATOM 439 CG2 VAL A 41 -9.048 7.360 -3.099 1.00 0.00 C ATOM 0 H VAL A 41 -10.913 8.675 -1.545 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.570 6.219 -2.885 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.268 6.925 -1.021 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.098 5.038 -2.088 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.570 4.514 -1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.571 4.655 -3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.962 7.271 -3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.432 6.999 -4.053 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.327 8.405 -2.968 1.00 0.00 H new ATOM 449 N ARG A 42 -12.007 6.500 0.320 1.00 0.00 N ATOM 450 CA ARG A 42 -12.529 5.809 1.495 1.00 0.00 C ATOM 451 C ARG A 42 -13.910 5.206 1.216 1.00 0.00 C ATOM 452 O ARG A 42 -14.348 4.290 1.910 1.00 0.00 O ATOM 453 CB ARG A 42 -12.580 6.747 2.704 1.00 0.00 C ATOM 454 CG ARG A 42 -13.597 7.863 2.586 1.00 0.00 C ATOM 455 CD ARG A 42 -13.527 8.790 3.785 1.00 0.00 C ATOM 456 NE ARG A 42 -14.532 9.845 3.718 1.00 0.00 N ATOM 457 CZ ARG A 42 -14.517 10.937 4.476 1.00 0.00 C ATOM 458 NH1 ARG A 42 -13.538 11.132 5.348 1.00 0.00 N ATOM 459 NH2 ARG A 42 -15.490 11.828 4.368 1.00 0.00 N ATOM 0 H ARG A 42 -11.884 7.506 0.436 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.848 4.991 1.728 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.804 6.160 3.595 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.593 7.185 2.851 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.416 8.430 1.673 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.599 7.440 2.506 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.668 8.213 4.699 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.535 9.237 3.840 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.294 9.738 3.048 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.792 10.443 5.440 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.531 11.971 5.927 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.249 11.676 3.704 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -15.480 12.667 4.949 1.00 0.00 H new ATOM 473 N ARG A 43 -14.583 5.722 0.190 1.00 0.00 N ATOM 474 CA ARG A 43 -15.943 5.297 -0.140 1.00 0.00 C ATOM 475 C ARG A 43 -15.959 4.022 -0.990 1.00 0.00 C ATOM 476 O ARG A 43 -16.981 3.346 -1.079 1.00 0.00 O ATOM 477 CB ARG A 43 -16.666 6.414 -0.896 1.00 0.00 C ATOM 478 CG ARG A 43 -16.681 7.738 -0.154 1.00 0.00 C ATOM 479 CD ARG A 43 -17.377 8.822 -0.960 1.00 0.00 C ATOM 480 NE ARG A 43 -16.779 8.995 -2.286 1.00 0.00 N ATOM 481 CZ ARG A 43 -16.592 10.173 -2.875 1.00 0.00 C ATOM 482 NH1 ARG A 43 -16.926 11.296 -2.250 1.00 0.00 N ATOM 483 NH2 ARG A 43 -16.066 10.228 -4.092 1.00 0.00 N ATOM 0 H ARG A 43 -14.207 6.439 -0.431 1.00 0.00 H new ATOM 0 HA ARG A 43 -16.453 5.082 0.799 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -16.187 6.555 -1.865 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -17.693 6.104 -1.091 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -17.187 7.614 0.803 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.658 8.046 0.064 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -18.432 8.571 -1.069 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -17.329 9.765 -0.416 1.00 0.00 H new ATOM 0 HE ARG A 43 -16.487 8.158 -2.790 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -17.328 11.258 -1.313 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -16.780 12.196 -2.707 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -15.806 9.368 -4.574 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -15.922 11.130 -4.545 1.00 0.00 H new ATOM 497 N THR A 44 -14.831 3.691 -1.605 1.00 0.00 N ATOM 498 CA THR A 44 -14.764 2.541 -2.506 1.00 0.00 C ATOM 499 C THR A 44 -14.483 1.242 -1.735 1.00 0.00 C ATOM 500 O THR A 44 -14.155 1.288 -0.547 1.00 0.00 O ATOM 501 CB THR A 44 -13.662 2.761 -3.565 1.00 0.00 C ATOM 502 OG1 THR A 44 -12.819 3.847 -3.172 1.00 0.00 O ATOM 503 CG2 THR A 44 -14.253 3.052 -4.936 1.00 0.00 C ATOM 0 H THR A 44 -13.952 4.198 -1.499 1.00 0.00 H new ATOM 0 HA THR A 44 -15.732 2.446 -2.998 1.00 0.00 H new ATOM 0 HB THR A 44 -13.079 1.842 -3.632 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.121 3.980 -3.847 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.448 3.201 -5.655 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.870 2.211 -5.252 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.865 3.952 -4.885 1.00 0.00 H new ATOM 511 N PRO A 45 -14.597 0.067 -2.390 1.00 0.00 N ATOM 512 CA PRO A 45 -14.235 -1.217 -1.775 1.00 0.00 C ATOM 513 C PRO A 45 -12.727 -1.350 -1.561 1.00 0.00 C ATOM 514 O PRO A 45 -11.935 -0.612 -2.159 1.00 0.00 O ATOM 515 CB PRO A 45 -14.719 -2.257 -2.789 1.00 0.00 C ATOM 516 CG PRO A 45 -14.742 -1.534 -4.086 1.00 0.00 C ATOM 517 CD PRO A 45 -15.115 -0.116 -3.760 1.00 0.00 C ATOM 0 HA PRO A 45 -14.680 -1.330 -0.787 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.049 -3.116 -2.826 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.708 -2.635 -2.528 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.769 -1.579 -4.576 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.464 -1.981 -4.769 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -14.663 0.589 -4.458 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -16.193 0.037 -3.806 1.00 0.00 H new ATOM 525 N THR A 46 -12.342 -2.290 -0.713 1.00 0.00 N ATOM 526 CA THR A 46 -10.946 -2.495 -0.354 1.00 0.00 C ATOM 527 C THR A 46 -10.130 -3.032 -1.529 1.00 0.00 C ATOM 528 O THR A 46 -9.030 -2.549 -1.804 1.00 0.00 O ATOM 529 CB THR A 46 -10.844 -3.491 0.808 1.00 0.00 C ATOM 530 OG1 THR A 46 -12.114 -3.589 1.465 1.00 0.00 O ATOM 531 CG2 THR A 46 -9.792 -3.053 1.812 1.00 0.00 C ATOM 0 H THR A 46 -12.987 -2.933 -0.254 1.00 0.00 H new ATOM 0 HA THR A 46 -10.542 -1.525 -0.063 1.00 0.00 H new ATOM 0 HB THR A 46 -10.554 -4.461 0.404 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.050 -4.226 2.207 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.741 -3.777 2.625 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.822 -2.992 1.319 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.057 -2.075 2.214 1.00 0.00 H new ATOM 539 N SER A 47 -10.685 -4.020 -2.227 1.00 0.00 N ATOM 540 CA SER A 47 -9.976 -4.707 -3.301 1.00 0.00 C ATOM 541 C SER A 47 -9.534 -3.745 -4.399 1.00 0.00 C ATOM 542 O SER A 47 -8.438 -3.878 -4.948 1.00 0.00 O ATOM 543 CB SER A 47 -10.858 -5.808 -3.885 1.00 0.00 C ATOM 544 OG SER A 47 -11.206 -6.756 -2.890 1.00 0.00 O ATOM 0 H SER A 47 -11.631 -4.364 -2.065 1.00 0.00 H new ATOM 0 HA SER A 47 -9.076 -5.150 -2.875 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.762 -5.370 -4.308 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.333 -6.306 -4.700 1.00 0.00 H new ATOM 0 HG SER A 47 -11.772 -7.452 -3.285 1.00 0.00 H new ATOM 550 N SER A 48 -10.378 -2.767 -4.702 1.00 0.00 N ATOM 551 CA SER A 48 -10.064 -1.770 -5.703 1.00 0.00 C ATOM 552 C SER A 48 -8.811 -0.995 -5.322 1.00 0.00 C ATOM 553 O SER A 48 -7.938 -0.747 -6.155 1.00 0.00 O ATOM 554 CB SER A 48 -11.236 -0.813 -5.841 1.00 0.00 C ATOM 555 OG SER A 48 -12.399 -1.490 -6.283 1.00 0.00 O ATOM 0 H SER A 48 -11.290 -2.647 -4.262 1.00 0.00 H new ATOM 0 HA SER A 48 -9.880 -2.272 -6.653 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.433 -0.334 -4.882 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.982 -0.022 -6.546 1.00 0.00 H new ATOM 0 HG SER A 48 -13.111 -0.839 -6.454 1.00 0.00 H new ATOM 561 N LYS A 49 -8.727 -0.638 -4.050 1.00 0.00 N ATOM 562 CA LYS A 49 -7.604 0.128 -3.534 1.00 0.00 C ATOM 563 C LYS A 49 -6.317 -0.667 -3.656 1.00 0.00 C ATOM 564 O LYS A 49 -5.297 -0.152 -4.106 1.00 0.00 O ATOM 565 CB LYS A 49 -7.851 0.487 -2.073 1.00 0.00 C ATOM 566 CG LYS A 49 -9.232 1.058 -1.834 1.00 0.00 C ATOM 567 CD LYS A 49 -9.425 1.518 -0.400 1.00 0.00 C ATOM 568 CE LYS A 49 -10.901 1.650 -0.078 1.00 0.00 C ATOM 569 NZ LYS A 49 -11.674 2.102 -1.252 1.00 0.00 N ATOM 0 H LYS A 49 -9.431 -0.870 -3.350 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.507 1.042 -4.120 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.720 -0.403 -1.458 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.103 1.211 -1.750 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.397 1.898 -2.508 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.981 0.304 -2.075 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.960 0.806 0.282 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.927 2.476 -0.249 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.287 0.690 0.265 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.034 2.358 0.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.681 2.165 -1.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.333 3.037 -1.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.553 1.422 -2.030 1.00 0.00 H new ATOM 583 N VAL A 50 -6.385 -1.938 -3.280 1.00 0.00 N ATOM 584 CA VAL A 50 -5.212 -2.806 -3.317 1.00 0.00 C ATOM 585 C VAL A 50 -4.712 -2.975 -4.750 1.00 0.00 C ATOM 586 O VAL A 50 -3.511 -2.905 -5.012 1.00 0.00 O ATOM 587 CB VAL A 50 -5.508 -4.193 -2.707 1.00 0.00 C ATOM 588 CG1 VAL A 50 -4.270 -5.077 -2.752 1.00 0.00 C ATOM 589 CG2 VAL A 50 -6.012 -4.059 -1.278 1.00 0.00 C ATOM 0 H VAL A 50 -7.236 -2.391 -2.947 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.439 -2.326 -2.717 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.289 -4.663 -3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.501 -6.049 -2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.954 -5.208 -3.787 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.467 -4.607 -2.184 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.214 -5.049 -0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.255 -3.563 -0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.929 -3.469 -1.269 1.00 0.00 H new ATOM 599 N HIS A 51 -5.644 -3.175 -5.674 1.00 0.00 N ATOM 600 CA HIS A 51 -5.299 -3.346 -7.084 1.00 0.00 C ATOM 601 C HIS A 51 -4.675 -2.071 -7.644 1.00 0.00 C ATOM 602 O HIS A 51 -3.739 -2.125 -8.441 1.00 0.00 O ATOM 603 CB HIS A 51 -6.534 -3.725 -7.909 1.00 0.00 C ATOM 604 CG HIS A 51 -7.053 -5.106 -7.641 1.00 0.00 C ATOM 605 ND1 HIS A 51 -7.965 -5.737 -8.459 1.00 0.00 N ATOM 606 CD2 HIS A 51 -6.793 -5.974 -6.634 1.00 0.00 C ATOM 607 CE1 HIS A 51 -8.242 -6.930 -7.965 1.00 0.00 C ATOM 608 NE2 HIS A 51 -7.544 -7.096 -6.860 1.00 0.00 N ATOM 0 H HIS A 51 -6.643 -3.223 -5.475 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.572 -4.156 -7.152 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -7.327 -3.005 -7.706 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -6.290 -3.640 -8.968 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.118 -5.811 -5.806 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.925 -7.648 -8.394 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.561 -7.927 -6.268 1.00 0.00 H new ATOM 617 N PHE A 52 -5.188 -0.926 -7.207 1.00 0.00 N ATOM 618 CA PHE A 52 -4.685 0.362 -7.663 1.00 0.00 C ATOM 619 C PHE A 52 -3.264 0.589 -7.161 1.00 0.00 C ATOM 620 O PHE A 52 -2.385 0.995 -7.920 1.00 0.00 O ATOM 621 CB PHE A 52 -5.599 1.493 -7.184 1.00 0.00 C ATOM 622 CG PHE A 52 -5.173 2.854 -7.661 1.00 0.00 C ATOM 623 CD1 PHE A 52 -5.598 3.333 -8.886 1.00 0.00 C ATOM 624 CD2 PHE A 52 -4.347 3.652 -6.883 1.00 0.00 C ATOM 625 CE1 PHE A 52 -5.209 4.582 -9.331 1.00 0.00 C ATOM 626 CE2 PHE A 52 -3.956 4.901 -7.322 1.00 0.00 C ATOM 627 CZ PHE A 52 -4.388 5.367 -8.547 1.00 0.00 C ATOM 0 H PHE A 52 -5.954 -0.865 -6.536 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.673 0.359 -8.753 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.615 1.298 -7.528 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.625 1.491 -6.094 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.242 2.724 -9.503 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.006 3.292 -5.923 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.547 4.943 -10.291 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.313 5.513 -6.707 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.084 6.344 -8.892 1.00 0.00 H new ATOM 637 N LEU A 53 -3.047 0.317 -5.881 1.00 0.00 N ATOM 638 CA LEU A 53 -1.738 0.498 -5.270 1.00 0.00 C ATOM 639 C LEU A 53 -0.702 -0.403 -5.935 1.00 0.00 C ATOM 640 O LEU A 53 0.434 0.009 -6.171 1.00 0.00 O ATOM 641 CB LEU A 53 -1.813 0.219 -3.769 1.00 0.00 C ATOM 642 CG LEU A 53 -2.757 1.143 -2.993 1.00 0.00 C ATOM 643 CD1 LEU A 53 -2.811 0.750 -1.527 1.00 0.00 C ATOM 644 CD2 LEU A 53 -2.326 2.595 -3.144 1.00 0.00 C ATOM 0 H LEU A 53 -3.764 -0.031 -5.244 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.428 1.533 -5.416 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.133 -0.812 -3.620 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.812 0.307 -3.346 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.758 1.036 -3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.487 1.420 -0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.171 -0.275 -1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.813 0.823 -1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.008 3.237 -2.586 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.315 2.716 -2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.346 2.873 -4.198 1.00 0.00 H new ATOM 656 N LYS A 54 -1.107 -1.626 -6.254 1.00 0.00 N ATOM 657 CA LYS A 54 -0.262 -2.547 -6.982 1.00 0.00 C ATOM 658 C LYS A 54 0.118 -1.964 -8.343 1.00 0.00 C ATOM 659 O LYS A 54 1.273 -2.036 -8.763 1.00 0.00 O ATOM 660 CB LYS A 54 -0.998 -3.873 -7.164 1.00 0.00 C ATOM 661 CG LYS A 54 -0.237 -4.886 -7.994 1.00 0.00 C ATOM 662 CD LYS A 54 1.068 -5.287 -7.333 1.00 0.00 C ATOM 663 CE LYS A 54 1.900 -6.120 -8.279 1.00 0.00 C ATOM 664 NZ LYS A 54 3.159 -6.608 -7.653 1.00 0.00 N ATOM 0 H LYS A 54 -2.025 -2.000 -6.014 1.00 0.00 H new ATOM 0 HA LYS A 54 0.654 -2.715 -6.415 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.203 -4.302 -6.183 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.962 -3.681 -7.636 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.855 -5.771 -8.145 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.032 -4.468 -8.980 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.623 -4.396 -7.038 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.864 -5.852 -6.423 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.313 -6.973 -8.619 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.143 -5.528 -9.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.693 -7.174 -8.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.734 -5.796 -7.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.930 -7.196 -6.826 1.00 0.00 H new ATOM 678 N SER A 55 -0.858 -1.363 -9.015 1.00 0.00 N ATOM 679 CA SER A 55 -0.638 -0.778 -10.332 1.00 0.00 C ATOM 680 C SER A 55 0.219 0.487 -10.230 1.00 0.00 C ATOM 681 O SER A 55 0.819 0.930 -11.213 1.00 0.00 O ATOM 682 CB SER A 55 -1.981 -0.469 -11.002 1.00 0.00 C ATOM 683 OG SER A 55 -1.812 -0.130 -12.371 1.00 0.00 O ATOM 0 H SER A 55 -1.812 -1.268 -8.667 1.00 0.00 H new ATOM 0 HA SER A 55 -0.099 -1.500 -10.946 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.638 -1.334 -10.919 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.469 0.354 -10.480 1.00 0.00 H new ATOM 0 HG SER A 55 -2.686 0.060 -12.771 1.00 0.00 H new ATOM 689 N LYS A 56 0.282 1.063 -9.035 1.00 0.00 N ATOM 690 CA LYS A 56 1.126 2.223 -8.786 1.00 0.00 C ATOM 691 C LYS A 56 2.569 1.803 -8.526 1.00 0.00 C ATOM 692 O LYS A 56 3.451 2.646 -8.360 1.00 0.00 O ATOM 693 CB LYS A 56 0.590 3.034 -7.606 1.00 0.00 C ATOM 694 CG LYS A 56 -0.497 4.030 -7.987 1.00 0.00 C ATOM 695 CD LYS A 56 0.064 5.177 -8.820 1.00 0.00 C ATOM 696 CE LYS A 56 -1.019 6.176 -9.200 1.00 0.00 C ATOM 697 NZ LYS A 56 -0.466 7.353 -9.921 1.00 0.00 N ATOM 0 H LYS A 56 -0.244 0.743 -8.221 1.00 0.00 H new ATOM 0 HA LYS A 56 1.108 2.849 -9.678 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.195 2.349 -6.856 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.416 3.572 -7.142 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.279 3.519 -8.549 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.961 4.427 -7.084 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.848 5.685 -8.259 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.526 4.779 -9.724 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.762 5.683 -9.827 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.534 6.512 -8.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.238 8.007 -10.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.224 7.839 -9.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.003 7.037 -10.794 1.00 0.00 H new ATOM 711 N GLY A 57 2.806 0.499 -8.493 1.00 0.00 N ATOM 712 CA GLY A 57 4.154 0.000 -8.324 1.00 0.00 C ATOM 713 C GLY A 57 4.432 -0.474 -6.914 1.00 0.00 C ATOM 714 O GLY A 57 5.576 -0.774 -6.569 1.00 0.00 O ATOM 0 H GLY A 57 2.089 -0.221 -8.580 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.321 -0.823 -9.019 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.863 0.786 -8.584 1.00 0.00 H new ATOM 718 N LEU A 58 3.396 -0.548 -6.094 1.00 0.00 N ATOM 719 CA LEU A 58 3.555 -1.010 -4.724 1.00 0.00 C ATOM 720 C LEU A 58 3.559 -2.525 -4.650 1.00 0.00 C ATOM 721 O LEU A 58 2.937 -3.209 -5.465 1.00 0.00 O ATOM 722 CB LEU A 58 2.451 -0.471 -3.813 1.00 0.00 C ATOM 723 CG LEU A 58 2.727 0.885 -3.167 1.00 0.00 C ATOM 724 CD1 LEU A 58 2.577 2.018 -4.170 1.00 0.00 C ATOM 725 CD2 LEU A 58 1.813 1.079 -1.973 1.00 0.00 C ATOM 0 H LEU A 58 2.442 -0.296 -6.351 1.00 0.00 H new ATOM 0 HA LEU A 58 4.516 -0.629 -4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.531 -0.396 -4.393 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.270 -1.199 -3.022 1.00 0.00 H new ATOM 0 HG LEU A 58 3.761 0.902 -2.821 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.780 2.969 -3.678 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.282 1.875 -4.989 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.561 2.023 -4.564 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.013 2.048 -1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.774 1.040 -2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.994 0.289 -1.244 1.00 0.00 H new ATOM 737 N SER A 59 4.283 -3.038 -3.676 1.00 0.00 N ATOM 738 CA SER A 59 4.298 -4.457 -3.389 1.00 0.00 C ATOM 739 C SER A 59 3.274 -4.769 -2.304 1.00 0.00 C ATOM 740 O SER A 59 2.740 -3.853 -1.674 1.00 0.00 O ATOM 741 CB SER A 59 5.693 -4.863 -2.926 1.00 0.00 C ATOM 742 OG SER A 59 6.672 -4.524 -3.897 1.00 0.00 O ATOM 0 H SER A 59 4.878 -2.482 -3.061 1.00 0.00 H new ATOM 0 HA SER A 59 4.042 -5.017 -4.288 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.925 -4.368 -1.983 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.719 -5.936 -2.738 1.00 0.00 H new ATOM 0 HG SER A 59 7.558 -4.793 -3.576 1.00 0.00 H new ATOM 748 N ALA A 60 3.012 -6.049 -2.076 1.00 0.00 N ATOM 749 CA ALA A 60 2.056 -6.464 -1.057 1.00 0.00 C ATOM 750 C ALA A 60 2.473 -5.953 0.321 1.00 0.00 C ATOM 751 O ALA A 60 1.635 -5.544 1.122 1.00 0.00 O ATOM 752 CB ALA A 60 1.914 -7.980 -1.051 1.00 0.00 C ATOM 0 H ALA A 60 3.448 -6.819 -2.583 1.00 0.00 H new ATOM 0 HA ALA A 60 1.087 -6.027 -1.297 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.197 -8.275 -0.285 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.562 -8.316 -2.026 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.881 -8.435 -0.837 1.00 0.00 H new ATOM 758 N GLU A 61 3.778 -5.964 0.573 1.00 0.00 N ATOM 759 CA GLU A 61 4.342 -5.454 1.823 1.00 0.00 C ATOM 760 C GLU A 61 3.995 -3.985 2.031 1.00 0.00 C ATOM 761 O GLU A 61 3.602 -3.575 3.125 1.00 0.00 O ATOM 762 CB GLU A 61 5.859 -5.617 1.803 1.00 0.00 C ATOM 763 CG GLU A 61 6.319 -7.056 1.911 1.00 0.00 C ATOM 764 CD GLU A 61 6.539 -7.488 3.342 1.00 0.00 C ATOM 765 OE1 GLU A 61 5.624 -8.082 3.941 1.00 0.00 O ATOM 766 OE2 GLU A 61 7.642 -7.239 3.873 1.00 0.00 O ATOM 0 H GLU A 61 4.474 -6.325 -0.079 1.00 0.00 H new ATOM 0 HA GLU A 61 3.913 -6.026 2.646 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.249 -5.189 0.880 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.288 -5.045 2.626 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.577 -7.707 1.449 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.246 -7.181 1.351 1.00 0.00 H new ATOM 773 N GLU A 62 4.140 -3.203 0.969 1.00 0.00 N ATOM 774 CA GLU A 62 3.877 -1.770 1.019 1.00 0.00 C ATOM 775 C GLU A 62 2.409 -1.524 1.339 1.00 0.00 C ATOM 776 O GLU A 62 2.067 -0.740 2.226 1.00 0.00 O ATOM 777 CB GLU A 62 4.207 -1.126 -0.331 1.00 0.00 C ATOM 778 CG GLU A 62 5.492 -1.629 -0.971 1.00 0.00 C ATOM 779 CD GLU A 62 6.737 -1.193 -0.236 1.00 0.00 C ATOM 780 OE1 GLU A 62 7.234 -1.961 0.610 1.00 0.00 O ATOM 781 OE2 GLU A 62 7.238 -0.093 -0.535 1.00 0.00 O ATOM 0 H GLU A 62 4.441 -3.541 0.055 1.00 0.00 H new ATOM 0 HA GLU A 62 4.502 -1.329 1.795 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.379 -1.306 -1.017 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.281 -0.047 -0.196 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.466 -2.718 -1.013 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.542 -1.271 -1.999 1.00 0.00 H new ATOM 788 N ILE A 63 1.553 -2.228 0.611 1.00 0.00 N ATOM 789 CA ILE A 63 0.111 -2.102 0.756 1.00 0.00 C ATOM 790 C ILE A 63 -0.338 -2.538 2.150 1.00 0.00 C ATOM 791 O ILE A 63 -1.153 -1.871 2.790 1.00 0.00 O ATOM 792 CB ILE A 63 -0.613 -2.950 -0.312 1.00 0.00 C ATOM 793 CG1 ILE A 63 -0.118 -2.572 -1.710 1.00 0.00 C ATOM 794 CG2 ILE A 63 -2.118 -2.763 -0.215 1.00 0.00 C ATOM 795 CD1 ILE A 63 -0.593 -3.510 -2.800 1.00 0.00 C ATOM 0 H ILE A 63 1.840 -2.903 -0.097 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.149 -1.053 0.618 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.387 -4.001 -0.131 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.452 -1.561 -1.943 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.972 -2.555 -1.707 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.610 -3.369 -0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.460 -3.073 0.772 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.365 -1.713 -0.372 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.202 -3.178 -3.762 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.237 -4.519 -2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.683 -3.509 -2.831 1.00 0.00 H new ATOM 807 N CYS A 64 0.220 -3.651 2.617 1.00 0.00 N ATOM 808 CA CYS A 64 -0.105 -4.196 3.931 1.00 0.00 C ATOM 809 C CYS A 64 0.172 -3.171 5.028 1.00 0.00 C ATOM 810 O CYS A 64 -0.639 -2.983 5.943 1.00 0.00 O ATOM 811 CB CYS A 64 0.712 -5.469 4.177 1.00 0.00 C ATOM 812 SG CYS A 64 0.413 -6.264 5.773 1.00 0.00 S ATOM 0 H CYS A 64 0.907 -4.198 2.098 1.00 0.00 H new ATOM 0 HA CYS A 64 -1.167 -4.439 3.955 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.493 -6.184 3.384 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.772 -5.224 4.101 1.00 0.00 H new ATOM 0 HG CYS A 64 -0.827 -6.087 6.120 1.00 0.00 H new ATOM 818 N GLU A 65 1.315 -2.507 4.928 1.00 0.00 N ATOM 819 CA GLU A 65 1.700 -1.507 5.896 1.00 0.00 C ATOM 820 C GLU A 65 0.798 -0.281 5.800 1.00 0.00 C ATOM 821 O GLU A 65 0.272 0.190 6.807 1.00 0.00 O ATOM 822 CB GLU A 65 3.160 -1.125 5.684 1.00 0.00 C ATOM 823 CG GLU A 65 3.621 -0.013 6.592 1.00 0.00 C ATOM 824 CD GLU A 65 5.120 0.195 6.551 1.00 0.00 C ATOM 825 OE1 GLU A 65 5.866 -0.795 6.708 1.00 0.00 O ATOM 826 OE2 GLU A 65 5.563 1.351 6.387 1.00 0.00 O ATOM 0 H GLU A 65 1.992 -2.649 4.178 1.00 0.00 H new ATOM 0 HA GLU A 65 1.585 -1.922 6.897 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.786 -2.002 5.848 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.302 -0.821 4.647 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.122 0.913 6.306 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.318 -0.236 7.615 1.00 0.00 H new ATOM 833 N ALA A 66 0.605 0.208 4.579 1.00 0.00 N ATOM 834 CA ALA A 66 -0.199 1.402 4.336 1.00 0.00 C ATOM 835 C ALA A 66 -1.615 1.252 4.875 1.00 0.00 C ATOM 836 O ALA A 66 -2.165 2.186 5.455 1.00 0.00 O ATOM 837 CB ALA A 66 -0.242 1.710 2.852 1.00 0.00 C ATOM 0 H ALA A 66 0.998 -0.208 3.735 1.00 0.00 H new ATOM 0 HA ALA A 66 0.273 2.228 4.867 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.844 2.602 2.683 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.771 1.881 2.486 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.683 0.868 2.318 1.00 0.00 H new ATOM 843 N PHE A 67 -2.199 0.076 4.687 1.00 0.00 N ATOM 844 CA PHE A 67 -3.525 -0.197 5.211 1.00 0.00 C ATOM 845 C PHE A 67 -3.535 -0.087 6.728 1.00 0.00 C ATOM 846 O PHE A 67 -4.416 0.546 7.309 1.00 0.00 O ATOM 847 CB PHE A 67 -4.006 -1.578 4.769 1.00 0.00 C ATOM 848 CG PHE A 67 -4.841 -1.535 3.523 1.00 0.00 C ATOM 849 CD1 PHE A 67 -4.251 -1.541 2.272 1.00 0.00 C ATOM 850 CD2 PHE A 67 -6.220 -1.474 3.608 1.00 0.00 C ATOM 851 CE1 PHE A 67 -5.023 -1.486 1.127 1.00 0.00 C ATOM 852 CE2 PHE A 67 -6.996 -1.421 2.470 1.00 0.00 C ATOM 853 CZ PHE A 67 -6.398 -1.426 1.227 1.00 0.00 C ATOM 0 H PHE A 67 -1.775 -0.699 4.177 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.211 0.549 4.809 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.142 -2.221 4.599 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.586 -2.030 5.574 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.175 -1.589 2.189 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.695 -1.468 4.578 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.551 -1.490 0.156 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -8.072 -1.376 2.552 1.00 0.00 H new ATOM 0 HZ PHE A 67 -7.004 -1.383 0.334 1.00 0.00 H new ATOM 863 N THR A 68 -2.544 -0.681 7.369 1.00 0.00 N ATOM 864 CA THR A 68 -2.443 -0.625 8.816 1.00 0.00 C ATOM 865 C THR A 68 -2.250 0.823 9.275 1.00 0.00 C ATOM 866 O THR A 68 -2.780 1.240 10.307 1.00 0.00 O ATOM 867 CB THR A 68 -1.282 -1.499 9.321 1.00 0.00 C ATOM 868 OG1 THR A 68 -1.358 -2.803 8.722 1.00 0.00 O ATOM 869 CG2 THR A 68 -1.327 -1.630 10.836 1.00 0.00 C ATOM 0 H THR A 68 -1.799 -1.207 6.911 1.00 0.00 H new ATOM 0 HA THR A 68 -3.370 -1.013 9.238 1.00 0.00 H new ATOM 0 HB THR A 68 -0.343 -1.022 9.040 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.019 -2.761 7.803 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.497 -2.252 11.172 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.247 -0.642 11.289 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.269 -2.090 11.134 1.00 0.00 H new ATOM 877 N LYS A 69 -1.517 1.589 8.472 1.00 0.00 N ATOM 878 CA LYS A 69 -1.270 3.000 8.750 1.00 0.00 C ATOM 879 C LYS A 69 -2.572 3.797 8.793 1.00 0.00 C ATOM 880 O LYS A 69 -2.723 4.715 9.600 1.00 0.00 O ATOM 881 CB LYS A 69 -0.377 3.593 7.667 1.00 0.00 C ATOM 882 CG LYS A 69 1.024 3.040 7.638 1.00 0.00 C ATOM 883 CD LYS A 69 1.970 3.903 8.444 1.00 0.00 C ATOM 884 CE LYS A 69 3.383 3.749 7.936 1.00 0.00 C ATOM 885 NZ LYS A 69 4.355 4.566 8.706 1.00 0.00 N ATOM 0 H LYS A 69 -1.080 1.251 7.615 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.784 3.062 9.724 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.842 3.421 6.696 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.325 4.673 7.808 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.025 2.025 8.036 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.372 2.979 6.607 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.665 4.947 8.379 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.922 3.622 9.496 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.673 2.700 7.989 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.422 4.038 6.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.310 4.426 8.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.097 5.571 8.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.340 4.274 9.704 1.00 0.00 H new ATOM 899 N VAL A 70 -3.518 3.435 7.930 1.00 0.00 N ATOM 900 CA VAL A 70 -4.767 4.183 7.816 1.00 0.00 C ATOM 901 C VAL A 70 -5.837 3.632 8.752 1.00 0.00 C ATOM 902 O VAL A 70 -7.004 4.018 8.671 1.00 0.00 O ATOM 903 CB VAL A 70 -5.303 4.199 6.365 1.00 0.00 C ATOM 904 CG1 VAL A 70 -4.248 4.749 5.420 1.00 0.00 C ATOM 905 CG2 VAL A 70 -5.758 2.816 5.916 1.00 0.00 C ATOM 0 H VAL A 70 -3.445 2.634 7.303 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.538 5.208 8.108 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.175 4.852 6.340 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.638 4.755 4.402 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.990 5.766 5.715 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.358 4.121 5.464 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.128 2.869 4.892 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.918 2.123 5.963 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.555 2.465 6.571 1.00 0.00 H new ATOM 915 N GLY A 71 -5.436 2.732 9.636 1.00 0.00 N ATOM 916 CA GLY A 71 -6.358 2.202 10.620 1.00 0.00 C ATOM 917 C GLY A 71 -7.090 0.971 10.134 1.00 0.00 C ATOM 918 O GLY A 71 -8.104 0.574 10.712 1.00 0.00 O ATOM 0 H GLY A 71 -4.488 2.358 9.690 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.810 1.958 11.530 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.084 2.971 10.882 1.00 0.00 H new ATOM 922 N GLN A 72 -6.585 0.363 9.075 1.00 0.00 N ATOM 923 CA GLN A 72 -7.168 -0.860 8.552 1.00 0.00 C ATOM 924 C GLN A 72 -6.115 -1.960 8.553 1.00 0.00 C ATOM 925 O GLN A 72 -5.377 -2.129 7.588 1.00 0.00 O ATOM 926 CB GLN A 72 -7.685 -0.621 7.131 1.00 0.00 C ATOM 927 CG GLN A 72 -8.395 -1.816 6.516 1.00 0.00 C ATOM 928 CD GLN A 72 -9.678 -2.164 7.236 1.00 0.00 C ATOM 929 OE1 GLN A 72 -9.693 -2.990 8.150 1.00 0.00 O ATOM 930 NE2 GLN A 72 -10.760 -1.520 6.836 1.00 0.00 N ATOM 0 H GLN A 72 -5.771 0.697 8.559 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.004 -1.166 9.180 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.370 0.227 7.144 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.846 -0.344 6.493 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.616 -1.604 5.470 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.728 -2.678 6.532 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.699 -0.844 6.074 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.656 -1.699 7.289 1.00 0.00 H new ATOM 939 N PRO A 73 -6.026 -2.724 9.642 1.00 0.00 N ATOM 940 CA PRO A 73 -5.003 -3.749 9.782 1.00 0.00 C ATOM 941 C PRO A 73 -5.269 -4.964 8.905 1.00 0.00 C ATOM 942 O PRO A 73 -6.043 -5.858 9.258 1.00 0.00 O ATOM 943 CB PRO A 73 -5.059 -4.123 11.256 1.00 0.00 C ATOM 944 CG PRO A 73 -6.441 -3.775 11.693 1.00 0.00 C ATOM 945 CD PRO A 73 -6.897 -2.635 10.823 1.00 0.00 C ATOM 0 HA PRO A 73 -4.025 -3.386 9.465 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.855 -5.184 11.402 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.314 -3.573 11.831 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.107 -4.632 11.588 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.453 -3.488 12.744 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.948 -2.734 10.553 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.787 -1.676 11.330 1.00 0.00 H new ATOM 953 N LYS A 74 -4.646 -4.965 7.746 1.00 0.00 N ATOM 954 CA LYS A 74 -4.722 -6.089 6.833 1.00 0.00 C ATOM 955 C LYS A 74 -3.437 -6.883 6.895 1.00 0.00 C ATOM 956 O LYS A 74 -2.348 -6.310 6.946 1.00 0.00 O ATOM 957 CB LYS A 74 -4.959 -5.615 5.399 1.00 0.00 C ATOM 958 CG LYS A 74 -6.386 -5.174 5.120 1.00 0.00 C ATOM 959 CD LYS A 74 -7.358 -6.325 5.312 1.00 0.00 C ATOM 960 CE LYS A 74 -8.750 -5.976 4.820 1.00 0.00 C ATOM 961 NZ LYS A 74 -9.704 -7.093 5.049 1.00 0.00 N ATOM 0 H LYS A 74 -4.074 -4.190 7.409 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.561 -6.717 7.133 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.285 -4.785 5.186 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.698 -6.421 4.713 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.653 -4.353 5.785 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.461 -4.796 4.100 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.993 -7.202 4.777 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.402 -6.591 6.368 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.105 -5.082 5.333 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.713 -5.740 3.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.597 -6.894 4.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.296 -7.978 4.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.887 -7.190 6.068 1.00 0.00 H new ATOM 975 N THR A 75 -3.562 -8.193 6.901 1.00 0.00 N ATOM 976 CA THR A 75 -2.401 -9.057 6.911 1.00 0.00 C ATOM 977 C THR A 75 -1.793 -9.132 5.521 1.00 0.00 C ATOM 978 O THR A 75 -2.446 -8.795 4.529 1.00 0.00 O ATOM 979 CB THR A 75 -2.762 -10.476 7.388 1.00 0.00 C ATOM 980 OG1 THR A 75 -3.833 -11.003 6.594 1.00 0.00 O ATOM 981 CG2 THR A 75 -3.167 -10.465 8.854 1.00 0.00 C ATOM 0 H THR A 75 -4.456 -8.683 6.899 1.00 0.00 H new ATOM 0 HA THR A 75 -1.678 -8.632 7.607 1.00 0.00 H new ATOM 0 HB THR A 75 -1.882 -11.110 7.275 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.055 -11.906 6.903 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.418 -11.478 9.170 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.340 -10.091 9.457 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.034 -9.818 8.987 1.00 0.00 H new ATOM 989 N LEU A 76 -0.547 -9.564 5.451 1.00 0.00 N ATOM 990 CA LEU A 76 0.118 -9.756 4.176 1.00 0.00 C ATOM 991 C LEU A 76 -0.631 -10.810 3.372 1.00 0.00 C ATOM 992 O LEU A 76 -0.714 -10.743 2.146 1.00 0.00 O ATOM 993 CB LEU A 76 1.570 -10.178 4.406 1.00 0.00 C ATOM 994 CG LEU A 76 2.388 -10.415 3.142 1.00 0.00 C ATOM 995 CD1 LEU A 76 2.483 -9.140 2.320 1.00 0.00 C ATOM 996 CD2 LEU A 76 3.771 -10.932 3.497 1.00 0.00 C ATOM 0 H LEU A 76 0.026 -9.789 6.265 1.00 0.00 H new ATOM 0 HA LEU A 76 0.119 -8.821 3.615 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.065 -9.410 5.000 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.576 -11.092 4.999 1.00 0.00 H new ATOM 0 HG LEU A 76 1.884 -11.170 2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.071 -9.329 1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.482 -8.814 2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.964 -8.361 2.911 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.343 -11.097 2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.284 -10.200 4.120 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.679 -11.871 4.042 1.00 0.00 H new ATOM 1008 N ASN A 77 -1.196 -11.766 4.095 1.00 0.00 N ATOM 1009 CA ASN A 77 -2.009 -12.816 3.505 1.00 0.00 C ATOM 1010 C ASN A 77 -3.218 -12.231 2.785 1.00 0.00 C ATOM 1011 O ASN A 77 -3.550 -12.647 1.670 1.00 0.00 O ATOM 1012 CB ASN A 77 -2.475 -13.776 4.593 1.00 0.00 C ATOM 1013 CG ASN A 77 -3.262 -14.939 4.032 1.00 0.00 C ATOM 1014 OD1 ASN A 77 -4.484 -14.872 3.904 1.00 0.00 O ATOM 1015 ND2 ASN A 77 -2.570 -16.011 3.690 1.00 0.00 N ATOM 0 H ASN A 77 -1.103 -11.834 5.108 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.402 -13.352 2.776 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.609 -14.154 5.136 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.091 -13.236 5.312 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -3.048 -16.825 3.303 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -1.558 -16.025 3.813 1.00 0.00 H new ATOM 1022 N GLU A 78 -3.871 -11.269 3.434 1.00 0.00 N ATOM 1023 CA GLU A 78 -5.024 -10.585 2.852 1.00 0.00 C ATOM 1024 C GLU A 78 -4.664 -9.939 1.527 1.00 0.00 C ATOM 1025 O GLU A 78 -5.358 -10.124 0.531 1.00 0.00 O ATOM 1026 CB GLU A 78 -5.549 -9.508 3.800 1.00 0.00 C ATOM 1027 CG GLU A 78 -6.457 -10.035 4.891 1.00 0.00 C ATOM 1028 CD GLU A 78 -7.804 -10.472 4.362 1.00 0.00 C ATOM 1029 OE1 GLU A 78 -8.737 -9.639 4.345 1.00 0.00 O ATOM 1030 OE2 GLU A 78 -7.942 -11.651 3.965 1.00 0.00 O ATOM 0 H GLU A 78 -3.620 -10.944 4.368 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.797 -11.336 2.687 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.702 -9.000 4.261 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.091 -8.761 3.220 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.974 -10.877 5.386 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.600 -9.261 5.645 1.00 0.00 H new ATOM 1037 N ILE A 79 -3.566 -9.199 1.521 1.00 0.00 N ATOM 1038 CA ILE A 79 -3.137 -8.482 0.331 1.00 0.00 C ATOM 1039 C ILE A 79 -2.866 -9.458 -0.811 1.00 0.00 C ATOM 1040 O ILE A 79 -3.254 -9.213 -1.952 1.00 0.00 O ATOM 1041 CB ILE A 79 -1.878 -7.632 0.606 1.00 0.00 C ATOM 1042 CG1 ILE A 79 -2.090 -6.736 1.835 1.00 0.00 C ATOM 1043 CG2 ILE A 79 -1.532 -6.786 -0.612 1.00 0.00 C ATOM 1044 CD1 ILE A 79 -3.273 -5.795 1.718 1.00 0.00 C ATOM 0 H ILE A 79 -2.955 -9.079 2.329 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.945 -7.809 0.044 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.046 -8.306 0.810 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.227 -7.368 2.713 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.187 -6.149 2.003 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.642 -6.193 -0.402 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.341 -7.437 -1.465 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.365 -6.122 -0.842 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.354 -5.198 2.626 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.130 -5.136 0.862 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.186 -6.374 1.582 1.00 0.00 H new ATOM 1056 N LYS A 80 -2.226 -10.576 -0.488 1.00 0.00 N ATOM 1057 CA LYS A 80 -1.950 -11.615 -1.474 1.00 0.00 C ATOM 1058 C LYS A 80 -3.239 -12.174 -2.058 1.00 0.00 C ATOM 1059 O LYS A 80 -3.352 -12.364 -3.267 1.00 0.00 O ATOM 1060 CB LYS A 80 -1.143 -12.744 -0.840 1.00 0.00 C ATOM 1061 CG LYS A 80 0.256 -12.324 -0.451 1.00 0.00 C ATOM 1062 CD LYS A 80 1.006 -13.446 0.245 1.00 0.00 C ATOM 1063 CE LYS A 80 2.448 -13.060 0.525 1.00 0.00 C ATOM 1064 NZ LYS A 80 3.127 -14.048 1.400 1.00 0.00 N ATOM 0 H LYS A 80 -1.888 -10.787 0.451 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.372 -11.165 -2.281 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.667 -13.105 0.045 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.085 -13.578 -1.539 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.805 -12.017 -1.341 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.206 -11.457 0.207 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.506 -13.694 1.181 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.982 -14.342 -0.376 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.990 -12.976 -0.417 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.476 -12.078 0.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.109 -13.747 1.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.625 -14.110 2.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.124 -14.980 0.939 1.00 0.00 H new ATOM 1078 N ARG A 81 -4.203 -12.427 -1.189 1.00 0.00 N ATOM 1079 CA ARG A 81 -5.505 -12.935 -1.615 1.00 0.00 C ATOM 1080 C ARG A 81 -6.204 -11.927 -2.520 1.00 0.00 C ATOM 1081 O ARG A 81 -6.730 -12.285 -3.574 1.00 0.00 O ATOM 1082 CB ARG A 81 -6.387 -13.245 -0.402 1.00 0.00 C ATOM 1083 CG ARG A 81 -7.800 -13.686 -0.765 1.00 0.00 C ATOM 1084 CD ARG A 81 -7.798 -14.936 -1.634 1.00 0.00 C ATOM 1085 NE ARG A 81 -7.163 -16.072 -0.969 1.00 0.00 N ATOM 1086 CZ ARG A 81 -6.521 -17.048 -1.608 1.00 0.00 C ATOM 1087 NH1 ARG A 81 -6.424 -17.033 -2.933 1.00 0.00 N ATOM 1088 NH2 ARG A 81 -5.978 -18.045 -0.923 1.00 0.00 N ATOM 0 H ARG A 81 -4.113 -12.290 -0.182 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.341 -13.856 -2.174 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.913 -14.028 0.190 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.444 -12.359 0.230 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.366 -13.878 0.147 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.309 -12.878 -1.292 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.824 -15.197 -1.894 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.276 -14.726 -2.568 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.215 -16.120 0.049 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.843 -16.271 -3.466 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.931 -17.783 -3.417 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.052 -18.065 0.094 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.486 -18.792 -1.413 1.00 0.00 H new ATOM 1102 N ILE A 82 -6.193 -10.672 -2.106 1.00 0.00 N ATOM 1103 CA ILE A 82 -6.844 -9.608 -2.853 1.00 0.00 C ATOM 1104 C ILE A 82 -6.166 -9.391 -4.210 1.00 0.00 C ATOM 1105 O ILE A 82 -6.830 -9.125 -5.211 1.00 0.00 O ATOM 1106 CB ILE A 82 -6.850 -8.294 -2.041 1.00 0.00 C ATOM 1107 CG1 ILE A 82 -7.619 -8.500 -0.731 1.00 0.00 C ATOM 1108 CG2 ILE A 82 -7.474 -7.166 -2.852 1.00 0.00 C ATOM 1109 CD1 ILE A 82 -7.436 -7.387 0.281 1.00 0.00 C ATOM 0 H ILE A 82 -5.736 -10.362 -1.248 1.00 0.00 H new ATOM 0 HA ILE A 82 -7.876 -9.911 -3.032 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.821 -8.017 -1.810 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -8.681 -8.598 -0.958 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.301 -9.440 -0.281 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.469 -6.249 -2.263 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.899 -7.014 -3.766 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.501 -7.427 -3.108 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.014 -7.612 1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.381 -7.301 0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.782 -6.446 -0.147 1.00 0.00 H new ATOM 1121 N LEU A 83 -4.847 -9.529 -4.247 1.00 0.00 N ATOM 1122 CA LEU A 83 -4.100 -9.378 -5.494 1.00 0.00 C ATOM 1123 C LEU A 83 -4.154 -10.648 -6.340 1.00 0.00 C ATOM 1124 O LEU A 83 -3.642 -10.678 -7.460 1.00 0.00 O ATOM 1125 CB LEU A 83 -2.644 -9.008 -5.207 1.00 0.00 C ATOM 1126 CG LEU A 83 -2.426 -7.584 -4.692 1.00 0.00 C ATOM 1127 CD1 LEU A 83 -0.960 -7.355 -4.366 1.00 0.00 C ATOM 1128 CD2 LEU A 83 -2.912 -6.569 -5.716 1.00 0.00 C ATOM 0 H LEU A 83 -4.272 -9.744 -3.433 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.571 -8.573 -6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.245 -9.708 -4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.065 -9.140 -6.121 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.005 -7.454 -3.777 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.823 -6.337 -4.001 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.643 -8.061 -3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.360 -7.502 -5.264 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.750 -5.561 -5.334 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.359 -6.698 -6.647 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.975 -6.720 -5.902 1.00 0.00 H new ATOM 1140 N SER A 84 -4.762 -11.693 -5.803 1.00 0.00 N ATOM 1141 CA SER A 84 -4.911 -12.939 -6.530 1.00 0.00 C ATOM 1142 C SER A 84 -6.256 -12.953 -7.254 1.00 0.00 C ATOM 1143 O SER A 84 -7.265 -13.364 -6.640 1.00 0.00 O ATOM 1144 CB SER A 84 -4.796 -14.126 -5.569 1.00 0.00 C ATOM 1145 OG SER A 84 -4.738 -15.361 -6.269 1.00 0.00 O ATOM 1146 OXT SER A 84 -6.304 -12.526 -8.428 1.00 0.00 O ATOM 0 H SER A 84 -5.160 -11.701 -4.864 1.00 0.00 H new ATOM 0 HA SER A 84 -4.116 -13.024 -7.271 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.903 -14.013 -4.955 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.650 -14.131 -4.892 1.00 0.00 H new ATOM 0 HG SER A 84 -4.663 -16.098 -5.627 1.00 0.00 H new