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 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= 1.21 K(o=1.2,f=-0.097) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 57:sc= 1.26 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0966 USER MOD Single : A 47 SER OG : rot 180:sc= 0.00259 USER MOD Single : A 48 SER OG : rot 180:sc= -1.01 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 1.03 K(o=1,f=-4.8!) USER MOD Single : A 54 LYS NZ :NH3+ -172:sc= 0.853 (180deg=0.802) 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 86:sc= 1.34 USER MOD Single : A 64 CYS SG : rot 62:sc= 1.32 USER MOD Single : A 68 THR OG1 : rot 78:sc= 1.03 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+ -151:sc= 1.23 (180deg=1.19) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0295 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 11:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 200 N LYS A 27 8.214 6.071 0.553 1.00 0.00 N ATOM 201 CA LYS A 27 7.470 7.125 -0.130 1.00 0.00 C ATOM 202 C LYS A 27 6.235 6.549 -0.819 1.00 0.00 C ATOM 203 O LYS A 27 5.202 7.211 -0.906 1.00 0.00 O ATOM 204 CB LYS A 27 8.352 7.873 -1.142 1.00 0.00 C ATOM 205 CG LYS A 27 8.837 7.019 -2.302 1.00 0.00 C ATOM 206 CD LYS A 27 9.751 7.793 -3.242 1.00 0.00 C ATOM 207 CE LYS A 27 10.979 8.333 -2.522 1.00 0.00 C ATOM 208 NZ LYS A 27 11.973 8.908 -3.465 1.00 0.00 N ATOM 0 HA LYS A 27 7.147 7.844 0.623 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.791 8.719 -1.539 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.218 8.281 -0.620 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.369 6.150 -1.914 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.978 6.644 -2.859 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.065 7.144 -4.059 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.198 8.620 -3.687 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.673 9.098 -1.808 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.445 7.531 -1.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.792 9.263 -2.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.286 8.173 -4.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.538 9.691 -3.993 1.00 0.00 H new ATOM 222 N ARG A 28 6.332 5.307 -1.284 1.00 0.00 N ATOM 223 CA ARG A 28 5.192 4.642 -1.900 1.00 0.00 C ATOM 224 C ARG A 28 4.121 4.356 -0.858 1.00 0.00 C ATOM 225 O ARG A 28 2.932 4.545 -1.114 1.00 0.00 O ATOM 226 CB ARG A 28 5.611 3.352 -2.603 1.00 0.00 C ATOM 227 CG ARG A 28 6.468 3.590 -3.831 1.00 0.00 C ATOM 228 CD ARG A 28 6.641 2.323 -4.652 1.00 0.00 C ATOM 229 NE ARG A 28 7.292 1.251 -3.903 1.00 0.00 N ATOM 230 CZ ARG A 28 8.443 0.685 -4.261 1.00 0.00 C ATOM 231 NH1 ARG A 28 9.139 1.165 -5.287 1.00 0.00 N ATOM 232 NH2 ARG A 28 8.901 -0.359 -3.588 1.00 0.00 N ATOM 0 H ARG A 28 7.183 4.745 -1.246 1.00 0.00 H new ATOM 0 HA ARG A 28 4.781 5.313 -2.654 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.161 2.726 -1.901 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.718 2.798 -2.893 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.012 4.364 -4.448 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.446 3.962 -3.525 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.664 1.980 -4.994 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.229 2.549 -5.541 1.00 0.00 H new ATOM 0 HE ARG A 28 6.837 0.916 -3.054 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.792 1.972 -5.806 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.020 0.726 -5.556 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.373 -0.728 -2.797 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.782 -0.794 -3.860 1.00 0.00 H new ATOM 246 N VAL A 29 4.549 3.921 0.322 1.00 0.00 N ATOM 247 CA VAL A 29 3.633 3.730 1.437 1.00 0.00 C ATOM 248 C VAL A 29 2.972 5.054 1.801 1.00 0.00 C ATOM 249 O VAL A 29 1.763 5.117 1.984 1.00 0.00 O ATOM 250 CB VAL A 29 4.350 3.148 2.677 1.00 0.00 C ATOM 251 CG1 VAL A 29 3.420 3.103 3.883 1.00 0.00 C ATOM 252 CG2 VAL A 29 4.881 1.758 2.372 1.00 0.00 C ATOM 0 H VAL A 29 5.522 3.695 0.529 1.00 0.00 H new ATOM 0 HA VAL A 29 2.875 3.013 1.121 1.00 0.00 H new ATOM 0 HB VAL A 29 5.186 3.804 2.921 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.953 2.689 4.739 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.082 4.112 4.120 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.558 2.476 3.655 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.384 1.359 3.253 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.053 1.104 2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.588 1.812 1.544 1.00 0.00 H new ATOM 262 N SER A 30 3.769 6.112 1.867 1.00 0.00 N ATOM 263 CA SER A 30 3.255 7.443 2.176 1.00 0.00 C ATOM 264 C SER A 30 2.198 7.875 1.154 1.00 0.00 C ATOM 265 O SER A 30 1.154 8.423 1.521 1.00 0.00 O ATOM 266 CB SER A 30 4.408 8.450 2.216 1.00 0.00 C ATOM 267 OG SER A 30 5.404 8.043 3.143 1.00 0.00 O ATOM 0 H SER A 30 4.776 6.076 1.711 1.00 0.00 H new ATOM 0 HA SER A 30 2.778 7.411 3.155 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.847 8.546 1.223 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.028 9.433 2.493 1.00 0.00 H new ATOM 0 HG SER A 30 6.131 8.700 3.151 1.00 0.00 H new ATOM 273 N ASN A 31 2.463 7.601 -0.121 1.00 0.00 N ATOM 274 CA ASN A 31 1.515 7.902 -1.194 1.00 0.00 C ATOM 275 C ASN A 31 0.260 7.044 -1.071 1.00 0.00 C ATOM 276 O ASN A 31 -0.840 7.478 -1.406 1.00 0.00 O ATOM 277 CB ASN A 31 2.158 7.711 -2.573 1.00 0.00 C ATOM 278 CG ASN A 31 2.944 8.931 -3.029 1.00 0.00 C ATOM 279 OD1 ASN A 31 2.398 9.834 -3.662 1.00 0.00 O ATOM 280 ND2 ASN A 31 4.230 8.966 -2.718 1.00 0.00 N ATOM 0 H ASN A 31 3.331 7.169 -0.439 1.00 0.00 H new ATOM 0 HA ASN A 31 1.228 8.949 -1.094 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.822 6.847 -2.543 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.380 7.491 -3.304 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.803 9.760 -3.004 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.649 8.199 -2.192 1.00 0.00 H new ATOM 287 N ALA A 32 0.435 5.816 -0.615 1.00 0.00 N ATOM 288 CA ALA A 32 -0.683 4.907 -0.408 1.00 0.00 C ATOM 289 C ALA A 32 -1.519 5.331 0.789 1.00 0.00 C ATOM 290 O ALA A 32 -2.742 5.343 0.721 1.00 0.00 O ATOM 291 CB ALA A 32 -0.179 3.489 -0.229 1.00 0.00 C ATOM 0 H ALA A 32 1.346 5.422 -0.379 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.320 4.944 -1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.025 2.819 -0.075 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.369 3.183 -1.120 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.482 3.444 0.637 1.00 0.00 H new ATOM 297 N VAL A 33 -0.854 5.694 1.876 1.00 0.00 N ATOM 298 CA VAL A 33 -1.536 6.114 3.093 1.00 0.00 C ATOM 299 C VAL A 33 -2.385 7.357 2.836 1.00 0.00 C ATOM 300 O VAL A 33 -3.517 7.457 3.309 1.00 0.00 O ATOM 301 CB VAL A 33 -0.524 6.387 4.234 1.00 0.00 C ATOM 302 CG1 VAL A 33 -1.212 6.925 5.481 1.00 0.00 C ATOM 303 CG2 VAL A 33 0.243 5.118 4.569 1.00 0.00 C ATOM 0 H VAL A 33 0.164 5.706 1.941 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.192 5.300 3.403 1.00 0.00 H new ATOM 0 HB VAL A 33 0.172 7.149 3.883 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.469 7.104 6.258 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.719 7.860 5.242 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.941 6.197 5.837 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.951 5.322 5.372 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.455 4.345 4.889 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.784 4.776 3.687 1.00 0.00 H new ATOM 313 N GLU A 34 -1.848 8.290 2.062 1.00 0.00 N ATOM 314 CA GLU A 34 -2.577 9.506 1.730 1.00 0.00 C ATOM 315 C GLU A 34 -3.759 9.190 0.807 1.00 0.00 C ATOM 316 O GLU A 34 -4.834 9.774 0.938 1.00 0.00 O ATOM 317 CB GLU A 34 -1.636 10.535 1.088 1.00 0.00 C ATOM 318 CG GLU A 34 -1.172 10.172 -0.309 1.00 0.00 C ATOM 319 CD GLU A 34 -0.193 11.171 -0.880 1.00 0.00 C ATOM 320 OE1 GLU A 34 -0.591 11.973 -1.746 1.00 0.00 O ATOM 321 OE2 GLU A 34 0.981 11.163 -0.464 1.00 0.00 O ATOM 0 H GLU A 34 -0.915 8.229 1.654 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.974 9.936 2.649 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.143 11.499 1.050 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.762 10.659 1.727 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.707 9.186 -0.288 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.038 10.102 -0.967 1.00 0.00 H new ATOM 328 N PHE A 35 -3.550 8.247 -0.110 1.00 0.00 N ATOM 329 CA PHE A 35 -4.576 7.853 -1.070 1.00 0.00 C ATOM 330 C PHE A 35 -5.684 7.052 -0.394 1.00 0.00 C ATOM 331 O PHE A 35 -6.866 7.288 -0.631 1.00 0.00 O ATOM 332 CB PHE A 35 -3.931 7.030 -2.194 1.00 0.00 C ATOM 333 CG PHE A 35 -4.903 6.454 -3.186 1.00 0.00 C ATOM 334 CD1 PHE A 35 -5.440 7.240 -4.192 1.00 0.00 C ATOM 335 CD2 PHE A 35 -5.264 5.117 -3.122 1.00 0.00 C ATOM 336 CE1 PHE A 35 -6.321 6.706 -5.110 1.00 0.00 C ATOM 337 CE2 PHE A 35 -6.146 4.577 -4.037 1.00 0.00 C ATOM 338 CZ PHE A 35 -6.675 5.374 -5.033 1.00 0.00 C ATOM 0 H PHE A 35 -2.671 7.739 -0.207 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.027 8.752 -1.489 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -3.220 7.662 -2.727 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.361 6.215 -1.748 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -5.166 8.283 -4.259 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.850 4.490 -2.346 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -6.734 7.330 -5.889 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.421 3.535 -3.974 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.365 4.956 -5.751 1.00 0.00 H new ATOM 348 N LEU A 36 -5.295 6.126 0.469 1.00 0.00 N ATOM 349 CA LEU A 36 -6.247 5.277 1.172 1.00 0.00 C ATOM 350 C LEU A 36 -7.126 6.088 2.115 1.00 0.00 C ATOM 351 O LEU A 36 -8.291 5.756 2.330 1.00 0.00 O ATOM 352 CB LEU A 36 -5.510 4.189 1.947 1.00 0.00 C ATOM 353 CG LEU A 36 -4.883 3.086 1.098 1.00 0.00 C ATOM 354 CD1 LEU A 36 -4.095 2.131 1.979 1.00 0.00 C ATOM 355 CD2 LEU A 36 -5.952 2.333 0.320 1.00 0.00 C ATOM 0 H LEU A 36 -4.319 5.942 0.701 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.893 4.812 0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.724 4.658 2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.208 3.731 2.648 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.201 3.545 0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.652 1.349 1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.305 2.678 2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.762 1.680 2.714 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.484 1.551 -0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.659 1.882 1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.480 3.025 -0.336 1.00 0.00 H new ATOM 367 N LEU A 37 -6.577 7.161 2.662 1.00 0.00 N ATOM 368 CA LEU A 37 -7.298 7.966 3.636 1.00 0.00 C ATOM 369 C LEU A 37 -8.178 9.011 2.971 1.00 0.00 C ATOM 370 O LEU A 37 -8.786 9.838 3.650 1.00 0.00 O ATOM 371 CB LEU A 37 -6.323 8.645 4.596 1.00 0.00 C ATOM 372 CG LEU A 37 -6.000 7.839 5.850 1.00 0.00 C ATOM 373 CD1 LEU A 37 -4.936 8.539 6.679 1.00 0.00 C ATOM 374 CD2 LEU A 37 -7.262 7.627 6.672 1.00 0.00 C ATOM 0 H LEU A 37 -5.637 7.494 2.449 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.945 7.290 4.195 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.394 8.852 4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.739 9.607 4.896 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.610 6.867 5.548 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.720 7.947 7.569 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.027 8.649 6.087 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.296 9.524 6.977 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.022 7.051 7.565 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.673 8.594 6.963 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.997 7.085 6.077 1.00 0.00 H new ATOM 386 N ASP A 38 -8.276 8.966 1.657 1.00 0.00 N ATOM 387 CA ASP A 38 -9.139 9.893 0.948 1.00 0.00 C ATOM 388 C ASP A 38 -10.591 9.456 1.089 1.00 0.00 C ATOM 389 O ASP A 38 -10.895 8.262 1.030 1.00 0.00 O ATOM 390 CB ASP A 38 -8.765 9.985 -0.532 1.00 0.00 C ATOM 391 CG ASP A 38 -9.425 11.165 -1.224 1.00 0.00 C ATOM 392 OD1 ASP A 38 -10.670 11.188 -1.326 1.00 0.00 O ATOM 393 OD2 ASP A 38 -8.698 12.081 -1.667 1.00 0.00 O ATOM 0 H ASP A 38 -7.775 8.305 1.063 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.008 10.881 1.389 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.682 10.071 -0.626 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.056 9.063 -1.035 1.00 0.00 H new ATOM 398 N SER A 39 -11.480 10.418 1.293 1.00 0.00 N ATOM 399 CA SER A 39 -12.899 10.136 1.469 1.00 0.00 C ATOM 400 C SER A 39 -13.474 9.419 0.243 1.00 0.00 C ATOM 401 O SER A 39 -14.379 8.597 0.361 1.00 0.00 O ATOM 402 CB SER A 39 -13.663 11.437 1.735 1.00 0.00 C ATOM 403 OG SER A 39 -15.009 11.184 2.100 1.00 0.00 O ATOM 0 H SER A 39 -11.241 11.409 1.341 1.00 0.00 H new ATOM 0 HA SER A 39 -13.014 9.475 2.328 1.00 0.00 H new ATOM 0 HB2 SER A 39 -13.168 11.995 2.530 1.00 0.00 H new ATOM 0 HB3 SER A 39 -13.638 12.063 0.843 1.00 0.00 H new ATOM 0 HG SER A 39 -15.469 12.034 2.264 1.00 0.00 H new ATOM 409 N ARG A 40 -12.932 9.720 -0.931 1.00 0.00 N ATOM 410 CA ARG A 40 -13.378 9.085 -2.166 1.00 0.00 C ATOM 411 C ARG A 40 -12.990 7.610 -2.180 1.00 0.00 C ATOM 412 O ARG A 40 -13.781 6.742 -2.554 1.00 0.00 O ATOM 413 CB ARG A 40 -12.752 9.777 -3.377 1.00 0.00 C ATOM 414 CG ARG A 40 -13.051 11.263 -3.468 1.00 0.00 C ATOM 415 CD ARG A 40 -12.295 11.902 -4.620 1.00 0.00 C ATOM 416 NE ARG A 40 -12.468 13.351 -4.656 1.00 0.00 N ATOM 417 CZ ARG A 40 -11.691 14.173 -5.363 1.00 0.00 C ATOM 418 NH1 ARG A 40 -10.717 13.683 -6.120 1.00 0.00 N ATOM 419 NH2 ARG A 40 -11.893 15.482 -5.323 1.00 0.00 N ATOM 0 H ARG A 40 -12.182 10.400 -1.054 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.463 9.173 -2.217 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.672 9.637 -3.343 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.109 9.290 -4.284 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -14.122 11.414 -3.603 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.776 11.751 -2.533 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.234 11.666 -4.532 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.639 11.473 -5.561 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.227 13.758 -4.109 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.561 12.676 -6.162 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.124 14.314 -6.660 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.645 15.865 -4.750 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.296 16.107 -5.865 1.00 0.00 H new ATOM 433 N VAL A 41 -11.766 7.342 -1.744 1.00 0.00 N ATOM 434 CA VAL A 41 -11.174 6.016 -1.855 1.00 0.00 C ATOM 435 C VAL A 41 -11.685 5.088 -0.757 1.00 0.00 C ATOM 436 O VAL A 41 -11.835 3.881 -0.961 1.00 0.00 O ATOM 437 CB VAL A 41 -9.634 6.101 -1.801 1.00 0.00 C ATOM 438 CG1 VAL A 41 -9.003 4.718 -1.884 1.00 0.00 C ATOM 439 CG2 VAL A 41 -9.122 6.994 -2.921 1.00 0.00 C ATOM 0 H VAL A 41 -11.158 8.034 -1.306 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.471 5.602 -2.818 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.348 6.537 -0.844 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.918 4.810 -1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.347 4.110 -1.047 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.292 4.242 -2.821 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.034 7.048 -2.875 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.424 6.580 -3.883 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.540 7.994 -2.809 1.00 0.00 H new ATOM 449 N ARG A 42 -11.971 5.658 0.398 1.00 0.00 N ATOM 450 CA ARG A 42 -12.471 4.881 1.522 1.00 0.00 C ATOM 451 C ARG A 42 -13.878 4.347 1.241 1.00 0.00 C ATOM 452 O ARG A 42 -14.301 3.357 1.832 1.00 0.00 O ATOM 453 CB ARG A 42 -12.457 5.724 2.795 1.00 0.00 C ATOM 454 CG ARG A 42 -13.344 6.944 2.728 1.00 0.00 C ATOM 455 CD ARG A 42 -13.324 7.708 4.034 1.00 0.00 C ATOM 456 NE ARG A 42 -12.029 8.337 4.306 1.00 0.00 N ATOM 457 CZ ARG A 42 -11.590 8.627 5.533 1.00 0.00 C ATOM 458 NH1 ARG A 42 -12.293 8.255 6.595 1.00 0.00 N ATOM 459 NH2 ARG A 42 -10.443 9.273 5.697 1.00 0.00 N ATOM 0 H ARG A 42 -11.867 6.655 0.585 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.813 4.024 1.664 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.771 5.103 3.634 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.434 6.041 2.999 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.012 7.594 1.918 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.365 6.642 2.496 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.098 8.475 4.012 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.571 7.029 4.850 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.429 8.566 3.513 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.169 7.747 6.474 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.957 8.477 7.532 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.893 9.550 4.884 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.111 9.493 6.636 1.00 0.00 H new ATOM 473 N ARG A 43 -14.589 4.991 0.322 1.00 0.00 N ATOM 474 CA ARG A 43 -15.953 4.585 -0.007 1.00 0.00 C ATOM 475 C ARG A 43 -15.968 3.449 -1.029 1.00 0.00 C ATOM 476 O ARG A 43 -16.975 2.757 -1.186 1.00 0.00 O ATOM 477 CB ARG A 43 -16.749 5.776 -0.543 1.00 0.00 C ATOM 478 CG ARG A 43 -16.975 6.872 0.485 1.00 0.00 C ATOM 479 CD ARG A 43 -17.690 8.065 -0.124 1.00 0.00 C ATOM 480 NE ARG A 43 -17.927 9.125 0.855 1.00 0.00 N ATOM 481 CZ ARG A 43 -18.527 10.278 0.568 1.00 0.00 C ATOM 482 NH1 ARG A 43 -18.945 10.521 -0.667 1.00 0.00 N ATOM 483 NH2 ARG A 43 -18.714 11.186 1.519 1.00 0.00 N ATOM 0 H ARG A 43 -14.247 5.793 -0.207 1.00 0.00 H new ATOM 0 HA ARG A 43 -16.419 4.223 0.910 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -16.223 6.197 -1.400 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -17.715 5.423 -0.903 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -17.562 6.479 1.315 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -16.017 7.191 0.895 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -17.097 8.460 -0.948 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -18.642 7.741 -0.544 1.00 0.00 H new ATOM 0 HE ARG A 43 -17.614 8.972 1.814 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -18.807 9.824 -1.399 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -19.405 11.405 -0.885 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -18.398 11.000 2.471 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -19.174 12.069 1.298 1.00 0.00 H new ATOM 497 N THR A 44 -14.855 3.260 -1.724 1.00 0.00 N ATOM 498 CA THR A 44 -14.731 2.170 -2.684 1.00 0.00 C ATOM 499 C THR A 44 -14.324 0.871 -1.981 1.00 0.00 C ATOM 500 O THR A 44 -13.873 0.901 -0.834 1.00 0.00 O ATOM 501 CB THR A 44 -13.711 2.519 -3.791 1.00 0.00 C ATOM 502 OG1 THR A 44 -12.826 3.554 -3.346 1.00 0.00 O ATOM 503 CG2 THR A 44 -14.414 2.966 -5.063 1.00 0.00 C ATOM 0 H THR A 44 -14.025 3.847 -1.642 1.00 0.00 H new ATOM 0 HA THR A 44 -15.706 2.024 -3.149 1.00 0.00 H new ATOM 0 HB THR A 44 -13.136 1.619 -4.008 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.373 3.267 -2.526 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.671 3.205 -5.824 1.00 0.00 H new ATOM 0 HG22 THR A 44 -15.058 2.164 -5.424 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.017 3.850 -4.854 1.00 0.00 H new ATOM 511 N PRO A 45 -14.503 -0.290 -2.641 1.00 0.00 N ATOM 512 CA PRO A 45 -14.132 -1.592 -2.069 1.00 0.00 C ATOM 513 C PRO A 45 -12.629 -1.716 -1.833 1.00 0.00 C ATOM 514 O PRO A 45 -11.829 -1.011 -2.457 1.00 0.00 O ATOM 515 CB PRO A 45 -14.590 -2.601 -3.127 1.00 0.00 C ATOM 516 CG PRO A 45 -14.670 -1.819 -4.389 1.00 0.00 C ATOM 517 CD PRO A 45 -15.092 -0.437 -3.984 1.00 0.00 C ATOM 0 HA PRO A 45 -14.590 -1.746 -1.092 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.884 -3.427 -3.218 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.556 -3.034 -2.868 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.707 -1.801 -4.900 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.389 -2.261 -5.079 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -14.716 0.318 -4.674 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -16.177 -0.337 -3.962 1.00 0.00 H new ATOM 525 N THR A 46 -12.253 -2.618 -0.935 1.00 0.00 N ATOM 526 CA THR A 46 -10.858 -2.819 -0.585 1.00 0.00 C ATOM 527 C THR A 46 -10.052 -3.296 -1.792 1.00 0.00 C ATOM 528 O THR A 46 -8.890 -2.926 -1.960 1.00 0.00 O ATOM 529 CB THR A 46 -10.727 -3.855 0.545 1.00 0.00 C ATOM 530 OG1 THR A 46 -11.945 -3.903 1.303 1.00 0.00 O ATOM 531 CG2 THR A 46 -9.573 -3.507 1.472 1.00 0.00 C ATOM 0 H THR A 46 -12.902 -3.225 -0.434 1.00 0.00 H new ATOM 0 HA THR A 46 -10.464 -1.860 -0.249 1.00 0.00 H new ATOM 0 HB THR A 46 -10.531 -4.828 0.093 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.858 -4.565 2.020 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.502 -4.255 2.262 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.643 -3.490 0.904 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.746 -2.526 1.915 1.00 0.00 H new ATOM 539 N SER A 47 -10.687 -4.105 -2.636 1.00 0.00 N ATOM 540 CA SER A 47 -10.035 -4.659 -3.814 1.00 0.00 C ATOM 541 C SER A 47 -9.523 -3.558 -4.736 1.00 0.00 C ATOM 542 O SER A 47 -8.391 -3.619 -5.224 1.00 0.00 O ATOM 543 CB SER A 47 -11.012 -5.570 -4.559 1.00 0.00 C ATOM 544 OG SER A 47 -12.263 -4.926 -4.745 1.00 0.00 O ATOM 0 H SER A 47 -11.659 -4.392 -2.522 1.00 0.00 H new ATOM 0 HA SER A 47 -9.173 -5.241 -3.489 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.593 -5.846 -5.527 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.154 -6.494 -3.998 1.00 0.00 H new ATOM 0 HG SER A 47 -12.872 -5.526 -5.225 1.00 0.00 H new ATOM 550 N SER A 48 -10.346 -2.542 -4.942 1.00 0.00 N ATOM 551 CA SER A 48 -9.981 -1.413 -5.769 1.00 0.00 C ATOM 552 C SER A 48 -8.765 -0.694 -5.203 1.00 0.00 C ATOM 553 O SER A 48 -7.825 -0.369 -5.935 1.00 0.00 O ATOM 554 CB SER A 48 -11.156 -0.455 -5.851 1.00 0.00 C ATOM 555 OG SER A 48 -12.279 -1.074 -6.452 1.00 0.00 O ATOM 0 H SER A 48 -11.282 -2.481 -4.540 1.00 0.00 H new ATOM 0 HA SER A 48 -9.727 -1.775 -6.765 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.419 -0.111 -4.851 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.871 0.426 -6.427 1.00 0.00 H new ATOM 0 HG SER A 48 -13.022 -0.436 -6.491 1.00 0.00 H new ATOM 561 N LYS A 49 -8.797 -0.463 -3.896 1.00 0.00 N ATOM 562 CA LYS A 49 -7.714 0.221 -3.200 1.00 0.00 C ATOM 563 C LYS A 49 -6.396 -0.513 -3.409 1.00 0.00 C ATOM 564 O LYS A 49 -5.393 0.081 -3.807 1.00 0.00 O ATOM 565 CB LYS A 49 -8.006 0.284 -1.700 1.00 0.00 C ATOM 566 CG LYS A 49 -9.374 0.836 -1.346 1.00 0.00 C ATOM 567 CD LYS A 49 -9.600 0.808 0.158 1.00 0.00 C ATOM 568 CE LYS A 49 -11.054 1.067 0.509 1.00 0.00 C ATOM 569 NZ LYS A 49 -11.283 1.077 1.978 1.00 0.00 N ATOM 0 H LYS A 49 -9.570 -0.743 -3.292 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.638 1.230 -3.606 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.914 -0.719 -1.283 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.245 0.900 -1.220 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.463 1.859 -1.712 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.147 0.251 -1.845 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.296 -0.161 0.554 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.970 1.559 0.635 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.363 2.024 0.088 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.679 0.301 0.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.289 1.257 2.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.013 0.156 2.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.707 1.825 2.414 1.00 0.00 H new ATOM 583 N VAL A 50 -6.423 -1.817 -3.165 1.00 0.00 N ATOM 584 CA VAL A 50 -5.216 -2.638 -3.213 1.00 0.00 C ATOM 585 C VAL A 50 -4.650 -2.704 -4.627 1.00 0.00 C ATOM 586 O VAL A 50 -3.445 -2.547 -4.835 1.00 0.00 O ATOM 587 CB VAL A 50 -5.486 -4.072 -2.702 1.00 0.00 C ATOM 588 CG1 VAL A 50 -4.234 -4.933 -2.802 1.00 0.00 C ATOM 589 CG2 VAL A 50 -5.991 -4.044 -1.269 1.00 0.00 C ATOM 0 H VAL A 50 -7.271 -2.333 -2.931 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.485 -2.164 -2.558 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.256 -4.513 -3.335 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.452 -5.936 -2.436 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.912 -4.988 -3.842 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.440 -4.492 -2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.175 -5.063 -0.928 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.243 -3.577 -0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.918 -3.472 -1.221 1.00 0.00 H new ATOM 599 N HIS A 51 -5.528 -2.915 -5.598 1.00 0.00 N ATOM 600 CA HIS A 51 -5.110 -3.052 -6.989 1.00 0.00 C ATOM 601 C HIS A 51 -4.495 -1.758 -7.504 1.00 0.00 C ATOM 602 O HIS A 51 -3.538 -1.778 -8.278 1.00 0.00 O ATOM 603 CB HIS A 51 -6.293 -3.450 -7.877 1.00 0.00 C ATOM 604 CG HIS A 51 -6.791 -4.844 -7.650 1.00 0.00 C ATOM 605 ND1 HIS A 51 -7.641 -5.486 -8.520 1.00 0.00 N ATOM 606 CD2 HIS A 51 -6.565 -5.718 -6.639 1.00 0.00 C ATOM 607 CE1 HIS A 51 -7.918 -6.688 -8.058 1.00 0.00 C ATOM 608 NE2 HIS A 51 -7.278 -6.855 -6.920 1.00 0.00 N ATOM 0 H HIS A 51 -6.534 -2.995 -5.450 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.357 -3.839 -7.030 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -7.112 -2.751 -7.706 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.999 -3.347 -8.922 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.940 -5.550 -5.774 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.562 -7.414 -8.533 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.308 -7.694 -6.341 1.00 0.00 H new ATOM 617 N PHE A 52 -5.035 -0.634 -7.055 1.00 0.00 N ATOM 618 CA PHE A 52 -4.560 0.665 -7.503 1.00 0.00 C ATOM 619 C PHE A 52 -3.171 0.943 -6.939 1.00 0.00 C ATOM 620 O PHE A 52 -2.314 1.502 -7.624 1.00 0.00 O ATOM 621 CB PHE A 52 -5.533 1.767 -7.083 1.00 0.00 C ATOM 622 CG PHE A 52 -5.297 3.072 -7.788 1.00 0.00 C ATOM 623 CD1 PHE A 52 -5.866 3.312 -9.029 1.00 0.00 C ATOM 624 CD2 PHE A 52 -4.509 4.056 -7.215 1.00 0.00 C ATOM 625 CE1 PHE A 52 -5.653 4.510 -9.684 1.00 0.00 C ATOM 626 CE2 PHE A 52 -4.294 5.255 -7.864 1.00 0.00 C ATOM 627 CZ PHE A 52 -4.866 5.483 -9.100 1.00 0.00 C ATOM 0 H PHE A 52 -5.801 -0.596 -6.382 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.500 0.654 -8.591 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.553 1.436 -7.280 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.451 1.924 -6.007 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.483 2.554 -9.489 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.057 3.883 -6.249 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.101 4.685 -10.651 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.679 6.015 -7.405 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.698 6.421 -9.609 1.00 0.00 H new ATOM 637 N LEU A 53 -2.953 0.543 -5.692 1.00 0.00 N ATOM 638 CA LEU A 53 -1.661 0.729 -5.043 1.00 0.00 C ATOM 639 C LEU A 53 -0.611 -0.183 -5.663 1.00 0.00 C ATOM 640 O LEU A 53 0.546 0.203 -5.826 1.00 0.00 O ATOM 641 CB LEU A 53 -1.773 0.468 -3.543 1.00 0.00 C ATOM 642 CG LEU A 53 -2.738 1.392 -2.798 1.00 0.00 C ATOM 643 CD1 LEU A 53 -2.739 1.074 -1.315 1.00 0.00 C ATOM 644 CD2 LEU A 53 -2.377 2.851 -3.036 1.00 0.00 C ATOM 0 H LEU A 53 -3.655 0.087 -5.109 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.350 1.763 -5.193 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.091 -0.564 -3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.783 0.565 -3.097 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.743 1.224 -3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.431 1.741 -0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.051 0.041 -1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.735 1.212 -0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.076 3.491 -2.497 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.364 3.038 -2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.432 3.070 -4.102 1.00 0.00 H new ATOM 656 N LYS A 54 -1.018 -1.393 -6.015 1.00 0.00 N ATOM 657 CA LYS A 54 -0.137 -2.307 -6.728 1.00 0.00 C ATOM 658 C LYS A 54 0.239 -1.713 -8.084 1.00 0.00 C ATOM 659 O LYS A 54 1.379 -1.826 -8.535 1.00 0.00 O ATOM 660 CB LYS A 54 -0.816 -3.669 -6.906 1.00 0.00 C ATOM 661 CG LYS A 54 -0.075 -4.622 -7.837 1.00 0.00 C ATOM 662 CD LYS A 54 1.365 -4.866 -7.397 1.00 0.00 C ATOM 663 CE LYS A 54 1.442 -5.667 -6.107 1.00 0.00 C ATOM 664 NZ LYS A 54 2.849 -5.925 -5.708 1.00 0.00 N ATOM 0 H LYS A 54 -1.948 -1.764 -5.820 1.00 0.00 H new ATOM 0 HA LYS A 54 0.772 -2.452 -6.145 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.919 -4.141 -5.929 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.823 -3.512 -7.292 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.606 -5.573 -7.876 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.079 -4.214 -8.848 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.899 -5.397 -8.185 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.868 -3.909 -7.259 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.931 -5.126 -5.311 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.920 -6.615 -6.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.866 -6.585 -4.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.366 -6.341 -6.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.301 -5.030 -5.431 1.00 0.00 H new ATOM 678 N SER A 55 -0.727 -1.058 -8.716 1.00 0.00 N ATOM 679 CA SER A 55 -0.505 -0.389 -9.989 1.00 0.00 C ATOM 680 C SER A 55 0.442 0.800 -9.810 1.00 0.00 C ATOM 681 O SER A 55 1.057 1.270 -10.766 1.00 0.00 O ATOM 682 CB SER A 55 -1.843 0.070 -10.575 1.00 0.00 C ATOM 683 OG SER A 55 -1.687 0.603 -11.879 1.00 0.00 O ATOM 0 H SER A 55 -1.680 -0.976 -8.362 1.00 0.00 H new ATOM 0 HA SER A 55 -0.041 -1.091 -10.682 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.535 -0.772 -10.606 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.286 0.824 -9.924 1.00 0.00 H new ATOM 0 HG SER A 55 -2.560 0.885 -12.224 1.00 0.00 H new ATOM 689 N LYS A 56 0.561 1.272 -8.573 1.00 0.00 N ATOM 690 CA LYS A 56 1.472 2.361 -8.250 1.00 0.00 C ATOM 691 C LYS A 56 2.898 1.844 -8.091 1.00 0.00 C ATOM 692 O LYS A 56 3.842 2.627 -7.971 1.00 0.00 O ATOM 693 CB LYS A 56 1.030 3.056 -6.962 1.00 0.00 C ATOM 694 CG LYS A 56 -0.164 3.982 -7.127 1.00 0.00 C ATOM 695 CD LYS A 56 0.184 5.200 -7.968 1.00 0.00 C ATOM 696 CE LYS A 56 -1.000 6.141 -8.097 1.00 0.00 C ATOM 697 NZ LYS A 56 -0.670 7.332 -8.919 1.00 0.00 N ATOM 0 H LYS A 56 0.035 0.914 -7.776 1.00 0.00 H new ATOM 0 HA LYS A 56 1.449 3.077 -9.071 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.786 2.297 -6.219 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.868 3.630 -6.567 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.985 3.438 -7.595 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.513 4.304 -6.146 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.023 5.729 -7.516 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.506 4.880 -8.959 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.839 5.610 -8.547 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.320 6.461 -7.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.503 7.951 -8.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.114 7.853 -8.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.389 7.028 -9.873 1.00 0.00 H new ATOM 711 N GLY A 57 3.046 0.526 -8.094 1.00 0.00 N ATOM 712 CA GLY A 57 4.356 -0.075 -7.962 1.00 0.00 C ATOM 713 C GLY A 57 4.664 -0.493 -6.539 1.00 0.00 C ATOM 714 O GLY A 57 5.818 -0.747 -6.198 1.00 0.00 O ATOM 0 H GLY A 57 2.278 -0.139 -8.186 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.420 -0.946 -8.614 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.112 0.633 -8.301 1.00 0.00 H new ATOM 718 N LEU A 58 3.635 -0.563 -5.705 1.00 0.00 N ATOM 719 CA LEU A 58 3.811 -0.976 -4.320 1.00 0.00 C ATOM 720 C LEU A 58 3.887 -2.487 -4.198 1.00 0.00 C ATOM 721 O LEU A 58 3.222 -3.221 -4.936 1.00 0.00 O ATOM 722 CB LEU A 58 2.667 -0.478 -3.438 1.00 0.00 C ATOM 723 CG LEU A 58 2.843 0.918 -2.838 1.00 0.00 C ATOM 724 CD1 LEU A 58 2.503 1.997 -3.854 1.00 0.00 C ATOM 725 CD2 LEU A 58 1.992 1.058 -1.588 1.00 0.00 C ATOM 0 H LEU A 58 2.674 -0.340 -5.962 1.00 0.00 H new ATOM 0 HA LEU A 58 4.749 -0.534 -3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.750 -0.486 -4.027 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.528 -1.188 -2.622 1.00 0.00 H new ATOM 0 HG LEU A 58 3.889 1.047 -2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.637 2.979 -3.400 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.161 1.904 -4.718 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.467 1.883 -4.173 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.124 2.055 -1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.943 0.908 -1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.297 0.312 -0.854 1.00 0.00 H new ATOM 737 N SER A 59 4.691 -2.945 -3.258 1.00 0.00 N ATOM 738 CA SER A 59 4.762 -4.354 -2.938 1.00 0.00 C ATOM 739 C SER A 59 3.621 -4.721 -1.995 1.00 0.00 C ATOM 740 O SER A 59 3.015 -3.843 -1.380 1.00 0.00 O ATOM 741 CB SER A 59 6.108 -4.676 -2.293 1.00 0.00 C ATOM 742 OG SER A 59 7.177 -4.150 -3.060 1.00 0.00 O ATOM 0 H SER A 59 5.308 -2.355 -2.700 1.00 0.00 H new ATOM 0 HA SER A 59 4.668 -4.938 -3.854 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.141 -4.262 -1.285 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.221 -5.756 -2.198 1.00 0.00 H new ATOM 0 HG SER A 59 7.339 -3.219 -2.800 1.00 0.00 H new ATOM 748 N ALA A 60 3.337 -6.010 -1.872 1.00 0.00 N ATOM 749 CA ALA A 60 2.240 -6.476 -1.033 1.00 0.00 C ATOM 750 C ALA A 60 2.424 -6.031 0.416 1.00 0.00 C ATOM 751 O ALA A 60 1.473 -5.606 1.071 1.00 0.00 O ATOM 752 CB ALA A 60 2.120 -7.989 -1.116 1.00 0.00 C ATOM 0 H ALA A 60 3.852 -6.754 -2.343 1.00 0.00 H new ATOM 0 HA ALA A 60 1.317 -6.030 -1.403 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.297 -8.324 -0.485 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.928 -8.283 -2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.048 -8.447 -0.775 1.00 0.00 H new ATOM 758 N GLU A 61 3.655 -6.108 0.902 1.00 0.00 N ATOM 759 CA GLU A 61 3.965 -5.713 2.272 1.00 0.00 C ATOM 760 C GLU A 61 3.871 -4.200 2.450 1.00 0.00 C ATOM 761 O GLU A 61 3.542 -3.716 3.533 1.00 0.00 O ATOM 762 CB GLU A 61 5.352 -6.210 2.661 1.00 0.00 C ATOM 763 CG GLU A 61 5.418 -7.717 2.828 1.00 0.00 C ATOM 764 CD GLU A 61 6.828 -8.218 3.015 1.00 0.00 C ATOM 765 OE1 GLU A 61 7.371 -8.068 4.130 1.00 0.00 O ATOM 766 OE2 GLU A 61 7.395 -8.765 2.049 1.00 0.00 O ATOM 0 H GLU A 61 4.458 -6.441 0.368 1.00 0.00 H new ATOM 0 HA GLU A 61 3.227 -6.171 2.930 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.069 -5.903 1.899 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.654 -5.733 3.593 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.815 -8.010 3.687 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.979 -8.196 1.952 1.00 0.00 H new ATOM 773 N GLU A 62 4.156 -3.458 1.385 1.00 0.00 N ATOM 774 CA GLU A 62 4.008 -2.007 1.405 1.00 0.00 C ATOM 775 C GLU A 62 2.537 -1.637 1.526 1.00 0.00 C ATOM 776 O GLU A 62 2.158 -0.785 2.327 1.00 0.00 O ATOM 777 CB GLU A 62 4.596 -1.386 0.139 1.00 0.00 C ATOM 778 CG GLU A 62 6.107 -1.494 0.051 1.00 0.00 C ATOM 779 CD GLU A 62 6.644 -0.966 -1.261 1.00 0.00 C ATOM 780 OE1 GLU A 62 7.170 -1.767 -2.056 1.00 0.00 O ATOM 781 OE2 GLU A 62 6.531 0.246 -1.513 1.00 0.00 O ATOM 0 H GLU A 62 4.490 -3.836 0.499 1.00 0.00 H new ATOM 0 HA GLU A 62 4.550 -1.617 2.266 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.155 -1.871 -0.732 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.313 -0.334 0.096 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.557 -0.940 0.875 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.402 -2.537 0.169 1.00 0.00 H new ATOM 788 N ILE A 63 1.713 -2.304 0.729 1.00 0.00 N ATOM 789 CA ILE A 63 0.271 -2.108 0.765 1.00 0.00 C ATOM 790 C ILE A 63 -0.283 -2.509 2.132 1.00 0.00 C ATOM 791 O ILE A 63 -1.108 -1.804 2.713 1.00 0.00 O ATOM 792 CB ILE A 63 -0.421 -2.930 -0.345 1.00 0.00 C ATOM 793 CG1 ILE A 63 0.172 -2.567 -1.708 1.00 0.00 C ATOM 794 CG2 ILE A 63 -1.923 -2.685 -0.335 1.00 0.00 C ATOM 795 CD1 ILE A 63 -0.232 -3.504 -2.826 1.00 0.00 C ATOM 0 H ILE A 63 2.023 -2.992 0.043 1.00 0.00 H new ATOM 0 HA ILE A 63 0.066 -1.051 0.593 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.249 -3.990 -0.156 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.135 -1.554 -1.968 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.259 -2.560 -1.629 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.393 -3.273 -1.124 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.333 -2.980 0.631 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.120 -1.626 -0.505 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.229 -3.178 -3.758 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.100 -4.515 -2.591 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.316 -3.494 -2.935 1.00 0.00 H new ATOM 807 N CYS A 64 0.205 -3.635 2.642 1.00 0.00 N ATOM 808 CA CYS A 64 -0.171 -4.119 3.966 1.00 0.00 C ATOM 809 C CYS A 64 0.128 -3.068 5.034 1.00 0.00 C ATOM 810 O CYS A 64 -0.688 -2.817 5.926 1.00 0.00 O ATOM 811 CB CYS A 64 0.587 -5.416 4.278 1.00 0.00 C ATOM 812 SG CYS A 64 0.292 -6.086 5.930 1.00 0.00 S ATOM 0 H CYS A 64 0.869 -4.235 2.152 1.00 0.00 H new ATOM 0 HA CYS A 64 -1.243 -4.316 3.972 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.309 -6.169 3.541 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.655 -5.234 4.160 1.00 0.00 H new ATOM 0 HG CYS A 64 -0.968 -6.376 6.062 1.00 0.00 H new ATOM 818 N GLU A 65 1.298 -2.450 4.931 1.00 0.00 N ATOM 819 CA GLU A 65 1.709 -1.432 5.872 1.00 0.00 C ATOM 820 C GLU A 65 0.846 -0.182 5.730 1.00 0.00 C ATOM 821 O GLU A 65 0.322 0.327 6.718 1.00 0.00 O ATOM 822 CB GLU A 65 3.188 -1.106 5.669 1.00 0.00 C ATOM 823 CG GLU A 65 3.660 0.072 6.489 1.00 0.00 C ATOM 824 CD GLU A 65 5.165 0.217 6.490 1.00 0.00 C ATOM 825 OE1 GLU A 65 5.811 -0.312 7.418 1.00 0.00 O ATOM 826 OE2 GLU A 65 5.711 0.862 5.574 1.00 0.00 O ATOM 0 H GLU A 65 1.979 -2.643 4.197 1.00 0.00 H new ATOM 0 HA GLU A 65 1.573 -1.812 6.885 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.784 -1.981 5.927 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.365 -0.899 4.614 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.211 0.985 6.097 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.309 -0.041 7.515 1.00 0.00 H new ATOM 833 N ALA A 66 0.672 0.284 4.494 1.00 0.00 N ATOM 834 CA ALA A 66 -0.115 1.483 4.224 1.00 0.00 C ATOM 835 C ALA A 66 -1.532 1.346 4.761 1.00 0.00 C ATOM 836 O ALA A 66 -2.072 2.279 5.354 1.00 0.00 O ATOM 837 CB ALA A 66 -0.151 1.770 2.732 1.00 0.00 C ATOM 0 H ALA A 66 1.068 -0.154 3.662 1.00 0.00 H new ATOM 0 HA ALA A 66 0.365 2.317 4.736 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.742 2.667 2.548 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.864 1.923 2.366 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.601 0.926 2.210 1.00 0.00 H new ATOM 843 N PHE A 67 -2.126 0.177 4.559 1.00 0.00 N ATOM 844 CA PHE A 67 -3.460 -0.098 5.068 1.00 0.00 C ATOM 845 C PHE A 67 -3.494 0.004 6.584 1.00 0.00 C ATOM 846 O PHE A 67 -4.369 0.654 7.154 1.00 0.00 O ATOM 847 CB PHE A 67 -3.934 -1.480 4.623 1.00 0.00 C ATOM 848 CG PHE A 67 -4.822 -1.439 3.416 1.00 0.00 C ATOM 849 CD1 PHE A 67 -6.190 -1.303 3.563 1.00 0.00 C ATOM 850 CD2 PHE A 67 -4.293 -1.527 2.140 1.00 0.00 C ATOM 851 CE1 PHE A 67 -7.018 -1.257 2.463 1.00 0.00 C ATOM 852 CE2 PHE A 67 -5.118 -1.483 1.033 1.00 0.00 C ATOM 853 CZ PHE A 67 -6.484 -1.348 1.196 1.00 0.00 C ATOM 0 H PHE A 67 -1.703 -0.596 4.045 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.136 0.652 4.656 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.066 -2.103 4.406 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.470 -1.955 5.445 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -6.615 -1.232 4.553 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.226 -1.631 2.009 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -8.085 -1.150 2.594 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.696 -1.554 0.041 1.00 0.00 H new ATOM 0 HZ PHE A 67 -7.131 -1.314 0.332 1.00 0.00 H new ATOM 863 N THR A 68 -2.534 -0.621 7.240 1.00 0.00 N ATOM 864 CA THR A 68 -2.477 -0.587 8.688 1.00 0.00 C ATOM 865 C THR A 68 -2.244 0.846 9.176 1.00 0.00 C ATOM 866 O THR A 68 -2.788 1.265 10.198 1.00 0.00 O ATOM 867 CB THR A 68 -1.373 -1.519 9.219 1.00 0.00 C ATOM 868 OG1 THR A 68 -1.505 -2.817 8.617 1.00 0.00 O ATOM 869 CG2 THR A 68 -1.459 -1.651 10.731 1.00 0.00 C ATOM 0 H THR A 68 -1.787 -1.155 6.796 1.00 0.00 H new ATOM 0 HA THR A 68 -3.433 -0.940 9.074 1.00 0.00 H new ATOM 0 HB THR A 68 -0.405 -1.089 8.961 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.154 -2.791 7.703 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.669 -2.314 11.084 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.340 -0.669 11.189 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.429 -2.064 11.006 1.00 0.00 H new ATOM 877 N LYS A 69 -1.465 1.603 8.410 1.00 0.00 N ATOM 878 CA LYS A 69 -1.180 2.996 8.729 1.00 0.00 C ATOM 879 C LYS A 69 -2.448 3.847 8.714 1.00 0.00 C ATOM 880 O LYS A 69 -2.593 4.767 9.515 1.00 0.00 O ATOM 881 CB LYS A 69 -0.174 3.568 7.729 1.00 0.00 C ATOM 882 CG LYS A 69 1.206 2.943 7.830 1.00 0.00 C ATOM 883 CD LYS A 69 2.205 3.875 8.489 1.00 0.00 C ATOM 884 CE LYS A 69 2.582 5.023 7.573 1.00 0.00 C ATOM 885 NZ LYS A 69 3.641 5.879 8.165 1.00 0.00 N ATOM 0 H LYS A 69 -1.017 1.270 7.556 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.761 3.024 9.735 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.556 3.423 6.719 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.089 4.643 7.886 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.143 2.016 8.401 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.559 2.680 6.833 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.782 4.269 9.413 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.100 3.316 8.761 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.927 4.627 6.618 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.699 5.628 7.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.870 6.652 7.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.303 6.278 9.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.493 5.308 8.338 1.00 0.00 H new ATOM 899 N VAL A 70 -3.371 3.534 7.810 1.00 0.00 N ATOM 900 CA VAL A 70 -4.590 4.326 7.670 1.00 0.00 C ATOM 901 C VAL A 70 -5.692 3.842 8.612 1.00 0.00 C ATOM 902 O VAL A 70 -6.828 4.310 8.542 1.00 0.00 O ATOM 903 CB VAL A 70 -5.120 4.329 6.216 1.00 0.00 C ATOM 904 CG1 VAL A 70 -4.058 4.849 5.265 1.00 0.00 C ATOM 905 CG2 VAL A 70 -5.593 2.949 5.787 1.00 0.00 C ATOM 0 H VAL A 70 -3.300 2.745 7.168 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.318 5.346 7.941 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.981 4.996 6.180 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.447 4.844 4.247 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.786 5.867 5.545 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.177 4.210 5.319 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.958 2.992 4.761 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.763 2.245 5.848 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.398 2.619 6.444 1.00 0.00 H new ATOM 915 N GLY A 71 -5.352 2.913 9.493 1.00 0.00 N ATOM 916 CA GLY A 71 -6.314 2.431 10.465 1.00 0.00 C ATOM 917 C GLY A 71 -7.095 1.233 9.968 1.00 0.00 C ATOM 918 O GLY A 71 -8.158 0.910 10.498 1.00 0.00 O ATOM 0 H GLY A 71 -4.429 2.484 9.553 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.793 2.164 11.384 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.008 3.234 10.713 1.00 0.00 H new ATOM 922 N GLN A 72 -6.574 0.573 8.948 1.00 0.00 N ATOM 923 CA GLN A 72 -7.195 -0.630 8.421 1.00 0.00 C ATOM 924 C GLN A 72 -6.187 -1.772 8.451 1.00 0.00 C ATOM 925 O GLN A 72 -5.434 -1.970 7.500 1.00 0.00 O ATOM 926 CB GLN A 72 -7.675 -0.385 6.986 1.00 0.00 C ATOM 927 CG GLN A 72 -8.411 -1.563 6.368 1.00 0.00 C ATOM 928 CD GLN A 72 -9.813 -1.724 6.909 1.00 0.00 C ATOM 929 OE1 GLN A 72 -10.033 -2.398 7.915 1.00 0.00 O ATOM 930 NE2 GLN A 72 -10.770 -1.102 6.242 1.00 0.00 N ATOM 0 H GLN A 72 -5.719 0.851 8.467 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.056 -0.894 9.035 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.332 0.485 6.978 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.814 -0.141 6.363 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.456 -1.431 5.287 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.847 -2.477 6.554 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.540 -0.554 5.413 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.738 -1.170 6.557 1.00 0.00 H new ATOM 939 N PRO A 73 -6.151 -2.539 9.542 1.00 0.00 N ATOM 940 CA PRO A 73 -5.168 -3.601 9.704 1.00 0.00 C ATOM 941 C PRO A 73 -5.445 -4.792 8.798 1.00 0.00 C ATOM 942 O PRO A 73 -6.291 -5.640 9.090 1.00 0.00 O ATOM 943 CB PRO A 73 -5.284 -3.993 11.173 1.00 0.00 C ATOM 944 CG PRO A 73 -6.663 -3.594 11.575 1.00 0.00 C ATOM 945 CD PRO A 73 -7.049 -2.425 10.704 1.00 0.00 C ATOM 0 HA PRO A 73 -4.167 -3.268 9.429 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.128 -5.063 11.309 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.534 -3.483 11.777 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.359 -4.422 11.442 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.694 -3.318 12.629 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.096 -2.477 10.406 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.912 -1.477 11.224 1.00 0.00 H new ATOM 953 N LYS A 74 -4.753 -4.819 7.678 1.00 0.00 N ATOM 954 CA LYS A 74 -4.839 -5.925 6.748 1.00 0.00 C ATOM 955 C LYS A 74 -3.574 -6.752 6.815 1.00 0.00 C ATOM 956 O LYS A 74 -2.473 -6.208 6.901 1.00 0.00 O ATOM 957 CB LYS A 74 -5.051 -5.427 5.316 1.00 0.00 C ATOM 958 CG LYS A 74 -6.469 -4.963 5.027 1.00 0.00 C ATOM 959 CD LYS A 74 -7.456 -6.112 5.147 1.00 0.00 C ATOM 960 CE LYS A 74 -8.852 -5.703 4.712 1.00 0.00 C ATOM 961 NZ LYS A 74 -9.818 -6.826 4.830 1.00 0.00 N ATOM 0 H LYS A 74 -4.117 -4.077 7.387 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.695 -6.539 7.029 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.364 -4.603 5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.793 -6.227 4.622 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.744 -4.169 5.722 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.519 -4.540 4.024 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.116 -6.949 4.537 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.484 -6.461 6.179 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.192 -4.866 5.321 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.824 -5.355 3.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.570 -6.713 4.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.324 -7.727 4.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.237 -6.825 5.782 1.00 0.00 H new ATOM 975 N THR A 75 -3.735 -8.057 6.792 1.00 0.00 N ATOM 976 CA THR A 75 -2.603 -8.958 6.804 1.00 0.00 C ATOM 977 C THR A 75 -2.012 -9.086 5.408 1.00 0.00 C ATOM 978 O THR A 75 -2.661 -8.742 4.416 1.00 0.00 O ATOM 979 CB THR A 75 -3.014 -10.348 7.322 1.00 0.00 C ATOM 980 OG1 THR A 75 -4.206 -10.785 6.656 1.00 0.00 O ATOM 981 CG2 THR A 75 -3.245 -10.320 8.825 1.00 0.00 C ATOM 0 H THR A 75 -4.644 -8.520 6.765 1.00 0.00 H new ATOM 0 HA THR A 75 -1.851 -8.543 7.475 1.00 0.00 H new ATOM 0 HB THR A 75 -2.204 -11.046 7.110 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.461 -11.671 6.989 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.534 -11.314 9.167 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.327 -10.016 9.329 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.039 -9.611 9.058 1.00 0.00 H new ATOM 989 N LEU A 76 -0.781 -9.569 5.334 1.00 0.00 N ATOM 990 CA LEU A 76 -0.138 -9.823 4.058 1.00 0.00 C ATOM 991 C LEU A 76 -0.936 -10.864 3.289 1.00 0.00 C ATOM 992 O LEU A 76 -1.031 -10.819 2.061 1.00 0.00 O ATOM 993 CB LEU A 76 1.298 -10.303 4.278 1.00 0.00 C ATOM 994 CG LEU A 76 2.079 -10.625 3.005 1.00 0.00 C ATOM 995 CD1 LEU A 76 2.217 -9.388 2.137 1.00 0.00 C ATOM 996 CD2 LEU A 76 3.447 -11.196 3.346 1.00 0.00 C ATOM 0 H LEU A 76 -0.207 -9.793 6.147 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.105 -8.900 3.478 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.839 -9.537 4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.274 -11.194 4.906 1.00 0.00 H new ATOM 0 HG LEU A 76 1.525 -11.377 2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.776 -9.637 1.235 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.227 -9.024 1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.747 -8.613 2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.988 -11.419 2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.010 -10.468 3.930 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.325 -12.111 3.926 1.00 0.00 H new ATOM 1008 N ASN A 77 -1.525 -11.789 4.036 1.00 0.00 N ATOM 1009 CA ASN A 77 -2.386 -12.815 3.468 1.00 0.00 C ATOM 1010 C ASN A 77 -3.576 -12.176 2.757 1.00 0.00 C ATOM 1011 O ASN A 77 -3.930 -12.571 1.645 1.00 0.00 O ATOM 1012 CB ASN A 77 -2.880 -13.751 4.571 1.00 0.00 C ATOM 1013 CG ASN A 77 -3.638 -14.947 4.030 1.00 0.00 C ATOM 1014 OD1 ASN A 77 -4.851 -14.891 3.834 1.00 0.00 O ATOM 1015 ND2 ASN A 77 -2.932 -16.042 3.796 1.00 0.00 N ATOM 0 H ASN A 77 -1.419 -11.848 5.049 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.812 -13.390 2.742 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.028 -14.100 5.154 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.525 -13.195 5.251 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -3.393 -16.880 3.440 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -1.927 -16.048 3.971 1.00 0.00 H new ATOM 1022 N GLU A 78 -4.178 -11.180 3.404 1.00 0.00 N ATOM 1023 CA GLU A 78 -5.294 -10.440 2.821 1.00 0.00 C ATOM 1024 C GLU A 78 -4.876 -9.739 1.537 1.00 0.00 C ATOM 1025 O GLU A 78 -5.561 -9.833 0.525 1.00 0.00 O ATOM 1026 CB GLU A 78 -5.839 -9.406 3.809 1.00 0.00 C ATOM 1027 CG GLU A 78 -6.956 -9.928 4.695 1.00 0.00 C ATOM 1028 CD GLU A 78 -8.247 -10.151 3.933 1.00 0.00 C ATOM 1029 OE1 GLU A 78 -9.023 -9.182 3.772 1.00 0.00 O ATOM 1030 OE2 GLU A 78 -8.504 -11.294 3.505 1.00 0.00 O ATOM 0 H GLU A 78 -3.910 -10.866 4.337 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.077 -11.162 2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.022 -9.056 4.440 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.204 -8.543 3.252 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.643 -10.866 5.154 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.134 -9.220 5.505 1.00 0.00 H new ATOM 1037 N ILE A 79 -3.739 -9.054 1.580 1.00 0.00 N ATOM 1038 CA ILE A 79 -3.268 -8.289 0.429 1.00 0.00 C ATOM 1039 C ILE A 79 -3.051 -9.200 -0.779 1.00 0.00 C ATOM 1040 O ILE A 79 -3.513 -8.900 -1.880 1.00 0.00 O ATOM 1041 CB ILE A 79 -1.962 -7.528 0.747 1.00 0.00 C ATOM 1042 CG1 ILE A 79 -2.166 -6.593 1.946 1.00 0.00 C ATOM 1043 CG2 ILE A 79 -1.487 -6.740 -0.467 1.00 0.00 C ATOM 1044 CD1 ILE A 79 -3.293 -5.595 1.766 1.00 0.00 C ATOM 0 H ILE A 79 -3.128 -9.012 2.395 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.042 -7.559 0.192 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.194 -8.258 1.002 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.366 -7.195 2.833 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.240 -6.050 2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.566 -6.212 -0.220 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.302 -7.424 -1.295 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.252 -6.019 -0.755 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.372 -4.971 2.656 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.087 -4.966 0.900 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.231 -6.129 1.612 1.00 0.00 H new ATOM 1056 N LYS A 80 -2.372 -10.322 -0.562 1.00 0.00 N ATOM 1057 CA LYS A 80 -2.142 -11.295 -1.626 1.00 0.00 C ATOM 1058 C LYS A 80 -3.461 -11.857 -2.129 1.00 0.00 C ATOM 1059 O LYS A 80 -3.660 -12.034 -3.329 1.00 0.00 O ATOM 1060 CB LYS A 80 -1.260 -12.437 -1.129 1.00 0.00 C ATOM 1061 CG LYS A 80 0.117 -11.995 -0.683 1.00 0.00 C ATOM 1062 CD LYS A 80 0.992 -13.189 -0.363 1.00 0.00 C ATOM 1063 CE LYS A 80 2.406 -12.776 -0.002 1.00 0.00 C ATOM 1064 NZ LYS A 80 3.228 -13.940 0.415 1.00 0.00 N ATOM 0 H LYS A 80 -1.972 -10.580 0.340 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.635 -10.784 -2.445 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.759 -12.934 -0.297 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.155 -13.175 -1.924 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.583 -11.398 -1.467 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.031 -11.356 0.196 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.555 -13.747 0.465 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.018 -13.860 -1.222 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.873 -12.289 -0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.377 -12.043 0.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.188 -13.619 0.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.796 -14.390 1.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.277 -14.627 -0.364 1.00 0.00 H new ATOM 1078 N ARG A 81 -4.358 -12.120 -1.192 1.00 0.00 N ATOM 1079 CA ARG A 81 -5.680 -12.647 -1.501 1.00 0.00 C ATOM 1080 C ARG A 81 -6.445 -11.689 -2.407 1.00 0.00 C ATOM 1081 O ARG A 81 -7.030 -12.095 -3.411 1.00 0.00 O ATOM 1082 CB ARG A 81 -6.460 -12.862 -0.206 1.00 0.00 C ATOM 1083 CG ARG A 81 -7.908 -13.247 -0.420 1.00 0.00 C ATOM 1084 CD ARG A 81 -8.656 -13.299 0.894 1.00 0.00 C ATOM 1085 NE ARG A 81 -10.066 -13.627 0.707 1.00 0.00 N ATOM 1086 CZ ARG A 81 -11.037 -13.233 1.525 1.00 0.00 C ATOM 1087 NH1 ARG A 81 -10.762 -12.464 2.573 1.00 0.00 N ATOM 1088 NH2 ARG A 81 -12.290 -13.598 1.286 1.00 0.00 N ATOM 0 H ARG A 81 -4.191 -11.975 -0.196 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.563 -13.597 -2.022 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.969 -13.641 0.377 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.421 -11.948 0.386 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.385 -12.527 -1.085 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.961 -14.219 -0.911 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.194 -14.041 1.545 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.571 -12.336 1.398 1.00 0.00 H new ATOM 0 HE ARG A 81 -10.322 -14.194 -0.101 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.801 -12.173 2.754 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.512 -12.165 3.197 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -12.506 -14.179 0.476 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -13.037 -13.297 1.912 1.00 0.00 H new ATOM 1102 N ILE A 82 -6.423 -10.419 -2.045 1.00 0.00 N ATOM 1103 CA ILE A 82 -7.116 -9.385 -2.798 1.00 0.00 C ATOM 1104 C ILE A 82 -6.485 -9.193 -4.179 1.00 0.00 C ATOM 1105 O ILE A 82 -7.171 -8.867 -5.148 1.00 0.00 O ATOM 1106 CB ILE A 82 -7.107 -8.053 -2.020 1.00 0.00 C ATOM 1107 CG1 ILE A 82 -7.817 -8.234 -0.673 1.00 0.00 C ATOM 1108 CG2 ILE A 82 -7.776 -6.952 -2.829 1.00 0.00 C ATOM 1109 CD1 ILE A 82 -7.690 -7.049 0.263 1.00 0.00 C ATOM 0 H ILE A 82 -5.926 -10.074 -1.224 1.00 0.00 H new ATOM 0 HA ILE A 82 -8.148 -9.706 -2.936 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.073 -7.760 -1.840 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -8.874 -8.426 -0.856 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.413 -9.118 -0.179 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.758 -6.022 -2.261 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.241 -6.814 -3.768 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.809 -7.230 -3.038 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.220 -7.260 1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.637 -6.868 0.480 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -8.121 -6.165 -0.208 1.00 0.00 H new ATOM 1121 N LEU A 83 -5.180 -9.411 -4.266 1.00 0.00 N ATOM 1122 CA LEU A 83 -4.470 -9.284 -5.533 1.00 0.00 C ATOM 1123 C LEU A 83 -4.702 -10.503 -6.420 1.00 0.00 C ATOM 1124 O LEU A 83 -4.376 -10.483 -7.608 1.00 0.00 O ATOM 1125 CB LEU A 83 -2.972 -9.085 -5.291 1.00 0.00 C ATOM 1126 CG LEU A 83 -2.586 -7.726 -4.706 1.00 0.00 C ATOM 1127 CD1 LEU A 83 -1.118 -7.708 -4.315 1.00 0.00 C ATOM 1128 CD2 LEU A 83 -2.881 -6.616 -5.702 1.00 0.00 C ATOM 0 H LEU A 83 -4.592 -9.676 -3.476 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.863 -8.408 -6.049 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.621 -9.867 -4.617 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.446 -9.219 -6.236 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.183 -7.557 -3.810 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.864 -6.732 -3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.931 -8.479 -3.568 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.505 -7.900 -5.195 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.600 -5.655 -5.270 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.309 -6.784 -6.614 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.945 -6.611 -5.937 1.00 0.00 H new ATOM 1140 N SER A 84 -5.258 -11.559 -5.846 1.00 0.00 N ATOM 1141 CA SER A 84 -5.578 -12.753 -6.607 1.00 0.00 C ATOM 1142 C SER A 84 -7.084 -12.857 -6.834 1.00 0.00 C ATOM 1143 O SER A 84 -7.803 -13.337 -5.929 1.00 0.00 O ATOM 1144 CB SER A 84 -5.038 -14.001 -5.901 1.00 0.00 C ATOM 1145 OG SER A 84 -5.444 -14.042 -4.541 1.00 0.00 O ATOM 1146 OXT SER A 84 -7.550 -12.441 -7.915 1.00 0.00 O ATOM 0 H SER A 84 -5.496 -11.612 -4.856 1.00 0.00 H new ATOM 0 HA SER A 84 -5.096 -12.683 -7.582 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.393 -14.894 -6.415 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.950 -14.011 -5.958 1.00 0.00 H new ATOM 0 HG SER A 84 -6.123 -13.354 -4.381 1.00 0.00 H new