USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 638 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 82 SER OG : rot -71:sc= 1.95 USER MOD Set 1.2: A 98 LYS NZ :NH3+ 164:sc= 0.752 (180deg=-0.25) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.101 USER MOD Single : A 23 SER OG : rot 140:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -161:sc= 0.602 (180deg=0.12) USER MOD Single : A 49 HIS : no HD1:sc= -1.9 K(o=-1.9,f=-3.4!) USER MOD Single : A 52 SER OG : rot -29:sc= 0.207 USER MOD Single : A 62 GLN : amide:sc= 0.466 X(o=0.47,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -160:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.11 X(o=-1.1,f=-1.4) USER MOD Single : A 69 LYS NZ :NH3+ 141:sc= 0.734 (180deg=-0.101) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.366 K(o=-0.37,f=-7.4!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 95:sc= 1.3 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -165:sc= 2.03 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.451 X(o=-0.45,f=-0.054) USER MOD Single : A 91 ASN : amide:sc= 1.36 K(o=1.4,f=-6.6!) USER MOD Single : A 95 CYS SG : rot 180:sc= -0.932 USER MOD Single : A 97 GLN : amide:sc= 0.376 X(o=0.38,f=-0.0016) USER MOD Single : A 102 MET CE :methyl -168:sc= -1.19 (180deg=-1.28) USER MOD Single : A 107 SER OG : rot -35:sc= 0.00594 USER MOD ----------------------------------------------------------------- ATOM 179 N TYR A 16 -6.110 5.825 -6.672 1.00 0.00 N ATOM 180 CA TYR A 16 -5.420 5.333 -7.865 1.00 0.00 C ATOM 181 C TYR A 16 -4.100 4.611 -7.558 1.00 0.00 C ATOM 182 O TYR A 16 -4.039 3.382 -7.648 1.00 0.00 O ATOM 183 CB TYR A 16 -5.300 6.468 -8.898 1.00 0.00 C ATOM 184 CG TYR A 16 -4.660 7.776 -8.448 1.00 0.00 C ATOM 185 CD1 TYR A 16 -3.275 7.974 -8.596 1.00 0.00 C ATOM 186 CD2 TYR A 16 -5.459 8.834 -7.970 1.00 0.00 C ATOM 187 CE1 TYR A 16 -2.677 9.185 -8.214 1.00 0.00 C ATOM 188 CE2 TYR A 16 -4.869 10.068 -7.633 1.00 0.00 C ATOM 189 CZ TYR A 16 -3.475 10.241 -7.733 1.00 0.00 C ATOM 190 OH TYR A 16 -2.907 11.447 -7.470 1.00 0.00 O ATOM 0 HA TYR A 16 -6.027 4.547 -8.313 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.728 6.090 -9.746 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.301 6.694 -9.264 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.664 7.184 -9.009 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.525 8.699 -7.862 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -1.607 9.307 -8.289 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -5.489 10.886 -7.296 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.593 12.068 -7.146 1.00 0.00 H new ATOM 200 N ILE A 17 -3.056 5.348 -7.180 1.00 0.00 N ATOM 201 CA ILE A 17 -1.651 4.932 -7.096 1.00 0.00 C ATOM 202 C ILE A 17 -1.069 4.558 -8.479 1.00 0.00 C ATOM 203 O ILE A 17 -1.402 3.506 -9.038 1.00 0.00 O ATOM 204 CB ILE A 17 -1.404 3.842 -6.026 1.00 0.00 C ATOM 205 CG1 ILE A 17 -2.112 4.120 -4.686 1.00 0.00 C ATOM 206 CG2 ILE A 17 0.108 3.684 -5.794 1.00 0.00 C ATOM 207 CD1 ILE A 17 -1.774 5.482 -4.077 1.00 0.00 C ATOM 0 H ILE A 17 -3.176 6.323 -6.904 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.096 5.805 -6.753 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.834 2.919 -6.414 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.190 4.058 -4.836 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.843 3.338 -3.975 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.282 2.916 -5.040 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.591 3.393 -6.727 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.524 4.631 -5.450 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.311 5.603 -3.136 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.701 5.542 -3.893 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.069 6.272 -4.767 1.00 0.00 H new ATOM 219 N PRO A 18 -0.209 5.413 -9.061 1.00 0.00 N ATOM 220 CA PRO A 18 0.476 5.171 -10.325 1.00 0.00 C ATOM 221 C PRO A 18 1.753 4.367 -10.077 1.00 0.00 C ATOM 222 O PRO A 18 2.716 4.886 -9.511 1.00 0.00 O ATOM 223 CB PRO A 18 0.797 6.569 -10.860 1.00 0.00 C ATOM 224 CG PRO A 18 1.031 7.386 -9.585 1.00 0.00 C ATOM 225 CD PRO A 18 0.229 6.685 -8.504 1.00 0.00 C ATOM 0 HA PRO A 18 -0.122 4.596 -11.032 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.678 6.562 -11.501 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -0.025 6.972 -11.452 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.090 7.420 -9.329 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.701 8.417 -9.713 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.837 6.528 -7.613 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.626 7.290 -8.204 1.00 0.00 H new ATOM 233 N LEU A 19 1.764 3.095 -10.480 1.00 0.00 N ATOM 234 CA LEU A 19 2.870 2.189 -10.180 1.00 0.00 C ATOM 235 C LEU A 19 4.211 2.713 -10.701 1.00 0.00 C ATOM 236 O LEU A 19 5.183 2.675 -9.953 1.00 0.00 O ATOM 237 CB LEU A 19 2.571 0.773 -10.703 1.00 0.00 C ATOM 238 CG LEU A 19 1.710 -0.070 -9.745 1.00 0.00 C ATOM 239 CD1 LEU A 19 1.281 -1.373 -10.425 1.00 0.00 C ATOM 240 CD2 LEU A 19 2.483 -0.423 -8.475 1.00 0.00 C ATOM 0 H LEU A 19 1.011 2.668 -11.020 1.00 0.00 H new ATOM 0 HA LEU A 19 2.963 2.137 -9.095 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.061 0.850 -11.663 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.513 0.255 -10.882 1.00 0.00 H new ATOM 0 HG LEU A 19 0.835 0.525 -9.483 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.673 -1.960 -9.736 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.699 -1.143 -11.318 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.165 -1.945 -10.706 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.850 -1.019 -7.817 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.373 -0.995 -8.738 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.779 0.493 -7.963 1.00 0.00 H new ATOM 252 N ASP A 20 4.278 3.242 -11.926 1.00 0.00 N ATOM 253 CA ASP A 20 5.557 3.656 -12.523 1.00 0.00 C ATOM 254 C ASP A 20 6.204 4.833 -11.791 1.00 0.00 C ATOM 255 O ASP A 20 7.430 4.946 -11.790 1.00 0.00 O ATOM 256 CB ASP A 20 5.406 4.017 -14.009 1.00 0.00 C ATOM 257 CG ASP A 20 5.220 2.783 -14.883 1.00 0.00 C ATOM 258 OD1 ASP A 20 5.968 1.790 -14.735 1.00 0.00 O ATOM 259 OD2 ASP A 20 4.247 2.751 -15.668 1.00 0.00 O ATOM 0 H ASP A 20 3.466 3.395 -12.524 1.00 0.00 H new ATOM 0 HA ASP A 20 6.210 2.789 -12.424 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.552 4.682 -14.135 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.288 4.565 -14.340 1.00 0.00 H new ATOM 264 N ARG A 21 5.423 5.705 -11.139 1.00 0.00 N ATOM 265 CA ARG A 21 5.978 6.770 -10.308 1.00 0.00 C ATOM 266 C ARG A 21 6.575 6.220 -9.012 1.00 0.00 C ATOM 267 O ARG A 21 7.305 6.943 -8.320 1.00 0.00 O ATOM 268 CB ARG A 21 4.871 7.810 -10.053 1.00 0.00 C ATOM 269 CG ARG A 21 5.107 9.131 -10.800 1.00 0.00 C ATOM 270 CD ARG A 21 5.504 10.241 -9.819 1.00 0.00 C ATOM 271 NE ARG A 21 6.011 11.443 -10.498 1.00 0.00 N ATOM 272 CZ ARG A 21 5.304 12.423 -11.068 1.00 0.00 C ATOM 273 NH1 ARG A 21 3.979 12.361 -11.147 1.00 0.00 N ATOM 274 NH2 ARG A 21 5.949 13.475 -11.549 1.00 0.00 N ATOM 0 H ARG A 21 4.404 5.690 -11.174 1.00 0.00 H new ATOM 0 HA ARG A 21 6.806 7.253 -10.827 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.911 7.393 -10.357 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.807 8.010 -8.983 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.891 8.999 -11.545 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.203 9.418 -11.337 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.640 10.509 -9.211 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.268 9.863 -9.139 1.00 0.00 H new ATOM 0 HE ARG A 21 7.026 11.540 -10.539 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.483 11.554 -10.768 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.458 13.120 -11.586 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.965 13.525 -11.480 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.429 14.235 -11.988 1.00 0.00 H new ATOM 288 N LEU A 22 6.286 4.971 -8.652 1.00 0.00 N ATOM 289 CA LEU A 22 6.945 4.248 -7.574 1.00 0.00 C ATOM 290 C LEU A 22 8.122 3.473 -8.182 1.00 0.00 C ATOM 291 O LEU A 22 8.467 3.665 -9.347 1.00 0.00 O ATOM 292 CB LEU A 22 5.965 3.309 -6.839 1.00 0.00 C ATOM 293 CG LEU A 22 4.515 3.792 -6.657 1.00 0.00 C ATOM 294 CD1 LEU A 22 3.741 2.782 -5.804 1.00 0.00 C ATOM 295 CD2 LEU A 22 4.376 5.169 -6.001 1.00 0.00 C ATOM 0 H LEU A 22 5.565 4.421 -9.118 1.00 0.00 H new ATOM 0 HA LEU A 22 7.310 4.949 -6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.938 2.362 -7.379 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.376 3.101 -5.851 1.00 0.00 H new ATOM 0 HG LEU A 22 4.112 3.878 -7.666 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.714 3.125 -5.676 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.740 1.812 -6.300 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.217 2.690 -4.828 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.320 5.426 -5.914 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.827 5.147 -5.009 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.882 5.916 -6.613 1.00 0.00 H new ATOM 307 N SER A 23 8.760 2.613 -7.398 1.00 0.00 N ATOM 308 CA SER A 23 9.796 1.684 -7.824 1.00 0.00 C ATOM 309 C SER A 23 9.460 0.337 -7.197 1.00 0.00 C ATOM 310 O SER A 23 9.539 0.186 -5.980 1.00 0.00 O ATOM 311 CB SER A 23 11.177 2.216 -7.418 1.00 0.00 C ATOM 312 OG SER A 23 12.209 1.547 -8.124 1.00 0.00 O ATOM 0 H SER A 23 8.559 2.542 -6.401 1.00 0.00 H new ATOM 0 HA SER A 23 9.832 1.571 -8.908 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.231 3.286 -7.617 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.321 2.083 -6.346 1.00 0.00 H new ATOM 0 HG SER A 23 12.900 2.192 -8.383 1.00 0.00 H new ATOM 318 N ILE A 24 8.993 -0.614 -8.001 1.00 0.00 N ATOM 319 CA ILE A 24 8.532 -1.919 -7.543 1.00 0.00 C ATOM 320 C ILE A 24 9.747 -2.838 -7.494 1.00 0.00 C ATOM 321 O ILE A 24 10.688 -2.688 -8.280 1.00 0.00 O ATOM 322 CB ILE A 24 7.436 -2.457 -8.497 1.00 0.00 C ATOM 323 CG1 ILE A 24 6.201 -1.540 -8.660 1.00 0.00 C ATOM 324 CG2 ILE A 24 6.907 -3.802 -7.977 1.00 0.00 C ATOM 325 CD1 ILE A 24 6.425 -0.272 -9.485 1.00 0.00 C ATOM 0 H ILE A 24 8.923 -0.495 -9.012 1.00 0.00 H new ATOM 0 HA ILE A 24 8.084 -1.858 -6.551 1.00 0.00 H new ATOM 0 HB ILE A 24 7.932 -2.530 -9.465 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.401 -2.117 -9.123 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.852 -1.250 -7.669 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.137 -4.175 -8.652 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.725 -4.520 -7.928 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.483 -3.666 -6.982 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.497 0.297 -9.536 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.198 0.336 -9.015 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.740 -0.544 -10.492 1.00 0.00 H new ATOM 337 N SER A 25 9.706 -3.826 -6.608 1.00 0.00 N ATOM 338 CA SER A 25 10.643 -4.929 -6.591 1.00 0.00 C ATOM 339 C SER A 25 9.859 -6.157 -6.164 1.00 0.00 C ATOM 340 O SER A 25 9.410 -6.230 -5.023 1.00 0.00 O ATOM 341 CB SER A 25 11.794 -4.584 -5.635 1.00 0.00 C ATOM 342 OG SER A 25 12.549 -5.724 -5.274 1.00 0.00 O ATOM 0 H SER A 25 9.005 -3.878 -5.869 1.00 0.00 H new ATOM 0 HA SER A 25 11.095 -5.123 -7.564 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.449 -3.851 -6.107 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.390 -4.118 -4.736 1.00 0.00 H new ATOM 0 HG SER A 25 13.271 -5.459 -4.667 1.00 0.00 H new ATOM 348 N TYR A 26 9.729 -7.156 -7.035 1.00 0.00 N ATOM 349 CA TYR A 26 9.342 -8.472 -6.547 1.00 0.00 C ATOM 350 C TYR A 26 10.596 -9.152 -6.026 1.00 0.00 C ATOM 351 O TYR A 26 11.646 -9.068 -6.666 1.00 0.00 O ATOM 352 CB TYR A 26 8.615 -9.303 -7.606 1.00 0.00 C ATOM 353 CG TYR A 26 7.576 -8.488 -8.343 1.00 0.00 C ATOM 354 CD1 TYR A 26 6.603 -7.751 -7.634 1.00 0.00 C ATOM 355 CD2 TYR A 26 7.718 -8.317 -9.731 1.00 0.00 C ATOM 356 CE1 TYR A 26 5.813 -6.818 -8.313 1.00 0.00 C ATOM 357 CE2 TYR A 26 6.900 -7.412 -10.419 1.00 0.00 C ATOM 358 CZ TYR A 26 5.933 -6.662 -9.716 1.00 0.00 C ATOM 359 OH TYR A 26 5.148 -5.774 -10.386 1.00 0.00 O ATOM 0 H TYR A 26 9.879 -7.084 -8.041 1.00 0.00 H new ATOM 0 HA TYR A 26 8.616 -8.369 -5.741 1.00 0.00 H new ATOM 0 HB2 TYR A 26 9.339 -9.698 -8.318 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.136 -10.159 -7.131 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.469 -7.907 -6.574 1.00 0.00 H new ATOM 0 HD2 TYR A 26 8.461 -8.886 -10.269 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.107 -6.212 -7.764 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.009 -7.288 -11.486 1.00 0.00 H new ATOM 0 HH TYR A 26 5.367 -5.799 -11.341 1.00 0.00 H new ATOM 369 N CYS A 27 10.482 -9.829 -4.887 1.00 0.00 N ATOM 370 CA CYS A 27 11.557 -10.596 -4.264 1.00 0.00 C ATOM 371 C CYS A 27 11.024 -11.990 -3.930 1.00 0.00 C ATOM 372 O CYS A 27 9.963 -12.370 -4.439 1.00 0.00 O ATOM 373 CB CYS A 27 12.120 -9.824 -3.061 1.00 0.00 C ATOM 374 SG CYS A 27 13.772 -10.420 -2.599 1.00 0.00 S ATOM 0 H CYS A 27 9.612 -9.860 -4.355 1.00 0.00 H new ATOM 0 HA CYS A 27 12.401 -10.733 -4.940 1.00 0.00 H new ATOM 0 HB2 CYS A 27 12.169 -8.762 -3.300 1.00 0.00 H new ATOM 0 HB3 CYS A 27 11.444 -9.928 -2.212 1.00 0.00 H new ATOM 0 HG CYS A 27 14.210 -9.740 -1.581 1.00 0.00 H new ATOM 585 N LYS A 43 7.373 -12.077 -3.298 1.00 0.00 N ATOM 586 CA LYS A 43 7.216 -10.882 -2.471 1.00 0.00 C ATOM 587 C LYS A 43 6.920 -9.694 -3.363 1.00 0.00 C ATOM 588 O LYS A 43 7.322 -9.733 -4.524 1.00 0.00 O ATOM 589 CB LYS A 43 8.487 -10.682 -1.638 1.00 0.00 C ATOM 590 CG LYS A 43 8.446 -9.520 -0.637 1.00 0.00 C ATOM 591 CD LYS A 43 9.344 -8.329 -0.993 1.00 0.00 C ATOM 592 CE LYS A 43 10.487 -8.272 0.024 1.00 0.00 C ATOM 593 NZ LYS A 43 11.643 -7.423 -0.323 1.00 0.00 N ATOM 0 HA LYS A 43 6.379 -10.992 -1.781 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.690 -11.603 -1.091 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.324 -10.524 -2.318 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.418 -9.169 -0.553 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.736 -9.895 0.345 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.739 -8.439 -2.003 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.771 -7.402 -0.974 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.081 -7.922 0.973 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.848 -9.288 0.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.464 -7.702 0.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.870 -7.541 -1.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.411 -6.427 -0.134 1.00 0.00 H new ATOM 607 N ALA A 44 6.298 -8.641 -2.834 1.00 0.00 N ATOM 608 CA ALA A 44 6.193 -7.355 -3.489 1.00 0.00 C ATOM 609 C ALA A 44 6.720 -6.321 -2.506 1.00 0.00 C ATOM 610 O ALA A 44 6.190 -6.177 -1.406 1.00 0.00 O ATOM 611 CB ALA A 44 4.745 -7.083 -3.893 1.00 0.00 C ATOM 0 H ALA A 44 5.847 -8.667 -1.920 1.00 0.00 H new ATOM 0 HA ALA A 44 6.776 -7.321 -4.409 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.681 -6.112 -4.385 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.406 -7.860 -4.578 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.113 -7.082 -3.005 1.00 0.00 H new ATOM 617 N GLU A 45 7.798 -5.647 -2.878 1.00 0.00 N ATOM 618 CA GLU A 45 8.316 -4.459 -2.239 1.00 0.00 C ATOM 619 C GLU A 45 7.982 -3.346 -3.219 1.00 0.00 C ATOM 620 O GLU A 45 7.921 -3.568 -4.434 1.00 0.00 O ATOM 621 CB GLU A 45 9.826 -4.641 -1.992 1.00 0.00 C ATOM 622 CG GLU A 45 10.551 -3.370 -1.477 1.00 0.00 C ATOM 623 CD GLU A 45 11.936 -3.685 -0.888 1.00 0.00 C ATOM 624 OE1 GLU A 45 12.268 -4.879 -0.730 1.00 0.00 O ATOM 625 OE2 GLU A 45 12.734 -2.776 -0.581 1.00 0.00 O ATOM 0 H GLU A 45 8.361 -5.935 -3.678 1.00 0.00 H new ATOM 0 HA GLU A 45 7.891 -4.239 -1.260 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.969 -5.444 -1.269 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.297 -4.962 -2.921 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.660 -2.660 -2.297 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.937 -2.887 -0.717 1.00 0.00 H new ATOM 632 N VAL A 46 7.740 -2.153 -2.704 1.00 0.00 N ATOM 633 CA VAL A 46 7.624 -0.977 -3.531 1.00 0.00 C ATOM 634 C VAL A 46 8.178 0.193 -2.733 1.00 0.00 C ATOM 635 O VAL A 46 8.056 0.253 -1.505 1.00 0.00 O ATOM 636 CB VAL A 46 6.173 -0.818 -4.032 1.00 0.00 C ATOM 637 CG1 VAL A 46 5.161 -0.498 -2.925 1.00 0.00 C ATOM 638 CG2 VAL A 46 6.071 0.248 -5.122 1.00 0.00 C ATOM 0 H VAL A 46 7.620 -1.978 -1.706 1.00 0.00 H new ATOM 0 HA VAL A 46 8.211 -1.045 -4.447 1.00 0.00 H new ATOM 0 HB VAL A 46 5.913 -1.796 -4.437 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.166 -0.402 -3.359 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.160 -1.302 -2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.437 0.438 -2.439 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.036 0.333 -5.452 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.406 1.207 -4.726 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.699 -0.035 -5.967 1.00 0.00 H new ATOM 648 N ARG A 47 8.792 1.127 -3.444 1.00 0.00 N ATOM 649 CA ARG A 47 9.497 2.274 -2.921 1.00 0.00 C ATOM 650 C ARG A 47 8.957 3.516 -3.596 1.00 0.00 C ATOM 651 O ARG A 47 8.708 3.484 -4.797 1.00 0.00 O ATOM 652 CB ARG A 47 10.986 2.079 -3.225 1.00 0.00 C ATOM 653 CG ARG A 47 11.802 3.376 -3.179 1.00 0.00 C ATOM 654 CD ARG A 47 13.274 3.045 -2.982 1.00 0.00 C ATOM 655 NE ARG A 47 13.866 2.500 -4.212 1.00 0.00 N ATOM 656 CZ ARG A 47 14.265 3.179 -5.299 1.00 0.00 C ATOM 657 NH1 ARG A 47 14.300 4.509 -5.344 1.00 0.00 N ATOM 658 NH2 ARG A 47 14.632 2.486 -6.364 1.00 0.00 N ATOM 0 H ARG A 47 8.809 1.097 -4.463 1.00 0.00 H new ATOM 0 HA ARG A 47 9.361 2.382 -1.845 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.404 1.372 -2.508 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.090 1.630 -4.213 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.665 3.937 -4.104 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.449 4.011 -2.366 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.814 3.943 -2.682 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.382 2.323 -2.173 1.00 0.00 H new ATOM 0 HE ARG A 47 13.988 1.488 -4.243 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.016 5.054 -4.530 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.611 4.983 -6.192 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.606 1.467 -6.343 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.941 2.971 -7.207 1.00 0.00 H new ATOM 672 N PHE A 48 8.878 4.630 -2.882 1.00 0.00 N ATOM 673 CA PHE A 48 8.860 5.933 -3.520 1.00 0.00 C ATOM 674 C PHE A 48 9.529 6.946 -2.592 1.00 0.00 C ATOM 675 O PHE A 48 9.282 6.920 -1.387 1.00 0.00 O ATOM 676 CB PHE A 48 7.413 6.298 -3.901 1.00 0.00 C ATOM 677 CG PHE A 48 6.379 6.227 -2.786 1.00 0.00 C ATOM 678 CD1 PHE A 48 5.708 5.018 -2.508 1.00 0.00 C ATOM 679 CD2 PHE A 48 6.074 7.374 -2.033 1.00 0.00 C ATOM 680 CE1 PHE A 48 4.744 4.954 -1.485 1.00 0.00 C ATOM 681 CE2 PHE A 48 5.127 7.307 -0.996 1.00 0.00 C ATOM 682 CZ PHE A 48 4.458 6.101 -0.730 1.00 0.00 C ATOM 0 H PHE A 48 8.826 4.655 -1.864 1.00 0.00 H new ATOM 0 HA PHE A 48 9.429 5.931 -4.450 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.411 7.311 -4.304 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.094 5.635 -4.705 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.936 4.134 -3.085 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.568 8.309 -2.252 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.227 4.027 -1.282 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.914 8.184 -0.403 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.721 6.057 0.058 1.00 0.00 H new ATOM 692 N HIS A 49 10.359 7.854 -3.121 1.00 0.00 N ATOM 693 CA HIS A 49 10.736 9.084 -2.420 1.00 0.00 C ATOM 694 C HIS A 49 9.460 9.860 -2.149 1.00 0.00 C ATOM 695 O HIS A 49 8.857 10.429 -3.060 1.00 0.00 O ATOM 696 CB HIS A 49 11.806 9.877 -3.194 1.00 0.00 C ATOM 697 CG HIS A 49 12.347 11.067 -2.429 1.00 0.00 C ATOM 698 ND1 HIS A 49 12.627 12.311 -2.947 1.00 0.00 N ATOM 699 CD2 HIS A 49 12.639 11.116 -1.090 1.00 0.00 C ATOM 700 CE1 HIS A 49 13.010 13.103 -1.933 1.00 0.00 C ATOM 701 NE2 HIS A 49 13.017 12.423 -0.775 1.00 0.00 N ATOM 0 H HIS A 49 10.785 7.756 -4.042 1.00 0.00 H new ATOM 0 HA HIS A 49 11.215 8.862 -1.466 1.00 0.00 H new ATOM 0 HB2 HIS A 49 12.631 9.210 -3.444 1.00 0.00 H new ATOM 0 HB3 HIS A 49 11.380 10.224 -4.135 1.00 0.00 H new ATOM 0 HD2 HIS A 49 12.586 10.288 -0.399 1.00 0.00 H new ATOM 0 HE1 HIS A 49 13.276 14.145 -2.035 1.00 0.00 H new ATOM 0 HE2 HIS A 49 13.251 12.788 0.148 1.00 0.00 H new ATOM 709 N LEU A 50 9.027 9.816 -0.891 1.00 0.00 N ATOM 710 CA LEU A 50 7.785 10.380 -0.407 1.00 0.00 C ATOM 711 C LEU A 50 7.775 11.869 -0.717 1.00 0.00 C ATOM 712 O LEU A 50 6.787 12.372 -1.251 1.00 0.00 O ATOM 713 CB LEU A 50 7.670 10.013 1.084 1.00 0.00 C ATOM 714 CG LEU A 50 6.695 10.820 1.949 1.00 0.00 C ATOM 715 CD1 LEU A 50 7.199 12.245 2.169 1.00 0.00 C ATOM 716 CD2 LEU A 50 5.260 10.770 1.420 1.00 0.00 C ATOM 0 H LEU A 50 9.564 9.363 -0.152 1.00 0.00 H new ATOM 0 HA LEU A 50 6.898 9.979 -0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.384 8.963 1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.662 10.101 1.527 1.00 0.00 H new ATOM 0 HG LEU A 50 6.659 10.342 2.928 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.486 12.792 2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.166 12.215 2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.305 12.746 1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.612 11.358 2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.230 11.180 0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.915 9.736 1.402 1.00 0.00 H new ATOM 728 N ALA A 51 8.872 12.570 -0.418 1.00 0.00 N ATOM 729 CA ALA A 51 8.916 14.009 -0.607 1.00 0.00 C ATOM 730 C ALA A 51 8.743 14.353 -2.086 1.00 0.00 C ATOM 731 O ALA A 51 8.169 15.388 -2.405 1.00 0.00 O ATOM 732 CB ALA A 51 10.214 14.570 -0.032 1.00 0.00 C ATOM 0 H ALA A 51 9.731 12.162 -0.048 1.00 0.00 H new ATOM 0 HA ALA A 51 8.090 14.474 -0.069 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.240 15.650 -0.178 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.267 14.346 1.033 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.064 14.115 -0.541 1.00 0.00 H new ATOM 738 N SER A 52 9.180 13.477 -2.994 1.00 0.00 N ATOM 739 CA SER A 52 9.083 13.687 -4.426 1.00 0.00 C ATOM 740 C SER A 52 7.686 13.406 -4.963 1.00 0.00 C ATOM 741 O SER A 52 7.466 13.800 -6.100 1.00 0.00 O ATOM 742 CB SER A 52 10.113 12.794 -5.127 1.00 0.00 C ATOM 743 OG SER A 52 10.205 12.986 -6.522 1.00 0.00 O ATOM 0 H SER A 52 9.617 12.590 -2.743 1.00 0.00 H new ATOM 0 HA SER A 52 9.289 14.738 -4.630 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.092 12.974 -4.683 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.862 11.751 -4.933 1.00 0.00 H new ATOM 0 HG SER A 52 9.338 13.284 -6.869 1.00 0.00 H new ATOM 749 N ALA A 53 6.783 12.757 -4.211 1.00 0.00 N ATOM 750 CA ALA A 53 5.677 11.969 -4.758 1.00 0.00 C ATOM 751 C ALA A 53 5.070 12.570 -6.031 1.00 0.00 C ATOM 752 O ALA A 53 5.269 11.995 -7.097 1.00 0.00 O ATOM 753 CB ALA A 53 4.640 11.700 -3.666 1.00 0.00 C ATOM 0 H ALA A 53 6.805 12.768 -3.191 1.00 0.00 H new ATOM 0 HA ALA A 53 6.081 11.011 -5.084 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.820 11.113 -4.080 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.106 11.148 -2.850 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.254 12.647 -3.289 1.00 0.00 H new ATOM 759 N ASP A 54 4.400 13.723 -5.912 1.00 0.00 N ATOM 760 CA ASP A 54 3.716 14.527 -6.943 1.00 0.00 C ATOM 761 C ASP A 54 2.258 14.083 -7.149 1.00 0.00 C ATOM 762 O ASP A 54 1.559 14.579 -8.030 1.00 0.00 O ATOM 763 CB ASP A 54 4.485 14.702 -8.273 1.00 0.00 C ATOM 764 CG ASP A 54 5.721 15.599 -8.192 1.00 0.00 C ATOM 765 OD1 ASP A 54 5.616 16.738 -7.674 1.00 0.00 O ATOM 766 OD2 ASP A 54 6.820 15.220 -8.661 1.00 0.00 O ATOM 0 H ASP A 54 4.312 14.165 -4.997 1.00 0.00 H new ATOM 0 HA ASP A 54 3.698 15.535 -6.530 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.791 13.719 -8.630 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.804 15.114 -9.018 1.00 0.00 H new ATOM 771 N TRP A 55 1.771 13.167 -6.313 1.00 0.00 N ATOM 772 CA TRP A 55 0.400 12.645 -6.287 1.00 0.00 C ATOM 773 C TRP A 55 -0.132 12.547 -4.850 1.00 0.00 C ATOM 774 O TRP A 55 -1.177 11.942 -4.599 1.00 0.00 O ATOM 775 CB TRP A 55 0.373 11.287 -6.998 1.00 0.00 C ATOM 776 CG TRP A 55 1.428 10.322 -6.565 1.00 0.00 C ATOM 777 CD1 TRP A 55 2.711 10.355 -6.967 1.00 0.00 C ATOM 778 CD2 TRP A 55 1.361 9.290 -5.542 1.00 0.00 C ATOM 779 NE1 TRP A 55 3.429 9.376 -6.318 1.00 0.00 N ATOM 780 CE2 TRP A 55 2.660 8.728 -5.380 1.00 0.00 C ATOM 781 CE3 TRP A 55 0.351 8.829 -4.679 1.00 0.00 C ATOM 782 CZ2 TRP A 55 2.947 7.767 -4.401 1.00 0.00 C ATOM 783 CZ3 TRP A 55 0.631 7.874 -3.691 1.00 0.00 C ATOM 784 CH2 TRP A 55 1.920 7.329 -3.552 1.00 0.00 C ATOM 0 H TRP A 55 2.355 12.743 -5.592 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.261 13.333 -6.814 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -0.603 10.830 -6.837 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.474 11.454 -8.070 1.00 0.00 H new ATOM 0 HD1 TRP A 55 3.117 11.046 -7.691 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.407 9.159 -6.509 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.653 9.215 -4.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.946 7.369 -4.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.156 7.552 -3.026 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.117 6.580 -2.799 1.00 0.00 H new ATOM 795 N ILE A 56 0.606 13.108 -3.892 1.00 0.00 N ATOM 796 CA ILE A 56 0.224 13.170 -2.483 1.00 0.00 C ATOM 797 C ILE A 56 0.084 14.633 -2.080 1.00 0.00 C ATOM 798 O ILE A 56 0.905 15.485 -2.418 1.00 0.00 O ATOM 799 CB ILE A 56 1.259 12.415 -1.615 1.00 0.00 C ATOM 800 CG1 ILE A 56 1.410 10.953 -2.080 1.00 0.00 C ATOM 801 CG2 ILE A 56 0.879 12.446 -0.119 1.00 0.00 C ATOM 802 CD1 ILE A 56 2.472 10.180 -1.292 1.00 0.00 C ATOM 0 H ILE A 56 1.509 13.543 -4.080 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.736 12.678 -2.324 1.00 0.00 H new ATOM 0 HB ILE A 56 2.212 12.929 -1.739 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.451 10.445 -1.980 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.670 10.939 -3.139 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.629 11.906 0.458 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.833 13.480 0.223 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.094 11.974 0.019 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.531 9.158 -1.666 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.440 10.667 -1.412 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.202 10.165 -0.236 1.00 0.00 H new ATOM 814 N GLU A 57 -0.955 14.889 -1.303 1.00 0.00 N ATOM 815 CA GLU A 57 -1.294 16.160 -0.686 1.00 0.00 C ATOM 816 C GLU A 57 -0.115 16.613 0.150 1.00 0.00 C ATOM 817 O GLU A 57 0.456 15.817 0.894 1.00 0.00 O ATOM 818 CB GLU A 57 -2.569 16.016 0.181 1.00 0.00 C ATOM 819 CG GLU A 57 -3.573 15.125 -0.523 1.00 0.00 C ATOM 820 CD GLU A 57 -4.985 15.016 0.050 1.00 0.00 C ATOM 821 OE1 GLU A 57 -5.441 15.950 0.743 1.00 0.00 O ATOM 822 OE2 GLU A 57 -5.623 13.962 -0.206 1.00 0.00 O ATOM 0 H GLU A 57 -1.632 14.162 -1.070 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.504 16.906 -1.453 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.313 15.593 1.153 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.007 16.997 0.365 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.660 15.474 -1.552 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.153 14.120 -0.561 1.00 0.00 H new ATOM 829 N GLU A 58 0.195 17.904 0.096 1.00 0.00 N ATOM 830 CA GLU A 58 1.193 18.521 0.951 1.00 0.00 C ATOM 831 C GLU A 58 1.126 18.059 2.406 1.00 0.00 C ATOM 832 O GLU A 58 2.172 17.696 2.962 1.00 0.00 O ATOM 833 CB GLU A 58 1.035 20.045 0.922 1.00 0.00 C ATOM 834 CG GLU A 58 2.372 20.700 0.616 1.00 0.00 C ATOM 835 CD GLU A 58 2.529 20.801 -0.904 1.00 0.00 C ATOM 836 OE1 GLU A 58 2.548 19.734 -1.557 1.00 0.00 O ATOM 837 OE2 GLU A 58 2.570 21.923 -1.462 1.00 0.00 O ATOM 0 H GLU A 58 -0.247 18.556 -0.552 1.00 0.00 H new ATOM 0 HA GLU A 58 2.159 18.212 0.552 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.301 20.329 0.168 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.659 20.398 1.882 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.420 21.691 1.068 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.187 20.115 1.043 1.00 0.00 H new ATOM 844 N PRO A 59 -0.062 18.063 3.050 1.00 0.00 N ATOM 845 CA PRO A 59 -0.071 17.805 4.473 1.00 0.00 C ATOM 846 C PRO A 59 0.119 16.306 4.743 1.00 0.00 C ATOM 847 O PRO A 59 0.688 15.910 5.760 1.00 0.00 O ATOM 848 CB PRO A 59 -1.423 18.330 4.963 1.00 0.00 C ATOM 849 CG PRO A 59 -2.349 18.182 3.754 1.00 0.00 C ATOM 850 CD PRO A 59 -1.417 18.338 2.549 1.00 0.00 C ATOM 0 HA PRO A 59 0.745 18.298 5.002 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.787 17.756 5.815 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.353 19.369 5.285 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.847 17.213 3.750 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.130 18.942 3.755 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -1.688 17.644 1.753 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.483 19.343 2.132 1.00 0.00 H new ATOM 858 N VAL A 60 -0.326 15.467 3.806 1.00 0.00 N ATOM 859 CA VAL A 60 -0.251 14.027 3.870 1.00 0.00 C ATOM 860 C VAL A 60 1.201 13.599 3.625 1.00 0.00 C ATOM 861 O VAL A 60 1.679 12.716 4.337 1.00 0.00 O ATOM 862 CB VAL A 60 -1.263 13.449 2.862 1.00 0.00 C ATOM 863 CG1 VAL A 60 -1.205 11.929 2.758 1.00 0.00 C ATOM 864 CG2 VAL A 60 -2.704 13.824 3.252 1.00 0.00 C ATOM 0 H VAL A 60 -0.766 15.799 2.948 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.523 13.635 4.850 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.987 13.882 1.901 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.942 11.586 2.032 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.209 11.624 2.436 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.422 11.489 3.731 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.399 13.404 2.525 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.929 13.425 4.241 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.806 14.909 3.267 1.00 0.00 H new ATOM 874 N ARG A 61 1.937 14.242 2.698 1.00 0.00 N ATOM 875 CA ARG A 61 3.351 13.948 2.441 1.00 0.00 C ATOM 876 C ARG A 61 4.097 13.952 3.768 1.00 0.00 C ATOM 877 O ARG A 61 4.624 12.927 4.206 1.00 0.00 O ATOM 878 CB ARG A 61 4.014 14.935 1.444 1.00 0.00 C ATOM 879 CG ARG A 61 3.719 14.639 -0.035 1.00 0.00 C ATOM 880 CD ARG A 61 4.742 15.240 -1.022 1.00 0.00 C ATOM 881 NE ARG A 61 4.506 16.655 -1.378 1.00 0.00 N ATOM 882 CZ ARG A 61 4.982 17.247 -2.489 1.00 0.00 C ATOM 883 NH1 ARG A 61 5.836 16.631 -3.302 1.00 0.00 N ATOM 884 NH2 ARG A 61 4.606 18.472 -2.804 1.00 0.00 N ATOM 0 H ARG A 61 1.561 14.983 2.106 1.00 0.00 H new ATOM 0 HA ARG A 61 3.405 12.967 1.968 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.676 15.946 1.674 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.093 14.917 1.597 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.687 13.559 -0.177 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.728 15.023 -0.279 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.738 15.151 -0.589 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.737 14.645 -1.935 1.00 0.00 H new ATOM 0 HE ARG A 61 3.946 17.220 -0.740 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.148 15.683 -3.091 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.179 17.107 -4.137 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.952 18.975 -2.204 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.970 18.916 -3.647 1.00 0.00 H new ATOM 898 N GLN A 62 4.087 15.098 4.438 1.00 0.00 N ATOM 899 CA GLN A 62 4.845 15.254 5.666 1.00 0.00 C ATOM 900 C GLN A 62 4.214 14.512 6.845 1.00 0.00 C ATOM 901 O GLN A 62 4.892 14.336 7.856 1.00 0.00 O ATOM 902 CB GLN A 62 5.108 16.730 5.952 1.00 0.00 C ATOM 903 CG GLN A 62 3.857 17.481 6.390 1.00 0.00 C ATOM 904 CD GLN A 62 4.050 18.957 6.105 1.00 0.00 C ATOM 905 OE1 GLN A 62 4.483 19.718 6.968 1.00 0.00 O ATOM 906 NE2 GLN A 62 3.804 19.346 4.869 1.00 0.00 N ATOM 0 H GLN A 62 3.565 15.926 4.151 1.00 0.00 H new ATOM 0 HA GLN A 62 5.815 14.778 5.523 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.867 16.815 6.729 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.514 17.202 5.057 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.984 17.104 5.857 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.674 17.322 7.453 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.445 18.679 4.186 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.973 20.314 4.596 1.00 0.00 H new ATOM 915 N LYS A 63 2.967 14.023 6.759 1.00 0.00 N ATOM 916 CA LYS A 63 2.509 13.037 7.713 1.00 0.00 C ATOM 917 C LYS A 63 3.332 11.774 7.522 1.00 0.00 C ATOM 918 O LYS A 63 4.135 11.483 8.381 1.00 0.00 O ATOM 919 CB LYS A 63 1.007 12.784 7.583 1.00 0.00 C ATOM 920 CG LYS A 63 0.215 13.170 8.839 1.00 0.00 C ATOM 921 CD LYS A 63 -0.136 14.660 8.831 1.00 0.00 C ATOM 922 CE LYS A 63 -0.833 15.034 10.141 1.00 0.00 C ATOM 923 NZ LYS A 63 -1.646 16.254 9.984 1.00 0.00 N ATOM 0 H LYS A 63 2.283 14.294 6.053 1.00 0.00 H new ATOM 0 HA LYS A 63 2.654 13.405 8.729 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.623 13.347 6.733 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.841 11.729 7.367 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.699 12.578 8.893 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.800 12.935 9.728 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.768 15.256 8.706 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.785 14.886 7.985 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.468 14.210 10.466 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.088 15.189 10.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.106 16.483 10.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.034 17.044 9.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.372 16.096 9.256 1.00 0.00 H new ATOM 937 N ILE A 64 3.233 11.051 6.410 1.00 0.00 N ATOM 938 CA ILE A 64 3.978 9.838 6.091 1.00 0.00 C ATOM 939 C ILE A 64 5.475 10.004 6.402 1.00 0.00 C ATOM 940 O ILE A 64 6.069 9.064 6.936 1.00 0.00 O ATOM 941 CB ILE A 64 3.640 9.424 4.639 1.00 0.00 C ATOM 942 CG1 ILE A 64 2.254 8.741 4.513 1.00 0.00 C ATOM 943 CG2 ILE A 64 4.656 8.431 4.085 1.00 0.00 C ATOM 944 CD1 ILE A 64 1.121 9.686 4.140 1.00 0.00 C ATOM 0 H ILE A 64 2.591 11.313 5.662 1.00 0.00 H new ATOM 0 HA ILE A 64 3.676 9.008 6.730 1.00 0.00 H new ATOM 0 HB ILE A 64 3.651 10.359 4.079 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.317 7.954 3.762 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.012 8.259 5.460 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.385 8.164 3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.648 8.884 4.091 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.663 7.534 4.704 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.188 9.127 4.073 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.027 10.459 4.902 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.336 10.150 3.177 1.00 0.00 H new ATOM 956 N ALA A 65 6.064 11.182 6.160 1.00 0.00 N ATOM 957 CA ALA A 65 7.466 11.468 6.451 1.00 0.00 C ATOM 958 C ALA A 65 7.816 11.202 7.922 1.00 0.00 C ATOM 959 O ALA A 65 8.940 10.828 8.261 1.00 0.00 O ATOM 960 CB ALA A 65 7.745 12.937 6.124 1.00 0.00 C ATOM 0 H ALA A 65 5.568 11.973 5.750 1.00 0.00 H new ATOM 0 HA ALA A 65 8.081 10.807 5.841 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.789 13.165 6.337 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.541 13.120 5.069 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.103 13.574 6.733 1.00 0.00 H new ATOM 966 N LEU A 66 6.869 11.529 8.796 1.00 0.00 N ATOM 967 CA LEU A 66 6.912 11.489 10.245 1.00 0.00 C ATOM 968 C LEU A 66 6.177 10.261 10.789 1.00 0.00 C ATOM 969 O LEU A 66 6.784 9.374 11.389 1.00 0.00 O ATOM 970 CB LEU A 66 6.339 12.821 10.764 1.00 0.00 C ATOM 971 CG LEU A 66 7.084 14.054 10.196 1.00 0.00 C ATOM 972 CD1 LEU A 66 6.413 15.374 10.557 1.00 0.00 C ATOM 973 CD2 LEU A 66 8.548 14.091 10.640 1.00 0.00 C ATOM 0 H LEU A 66 5.962 11.862 8.468 1.00 0.00 H new ATOM 0 HA LEU A 66 7.937 11.384 10.602 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.284 12.886 10.499 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.396 12.837 11.852 1.00 0.00 H new ATOM 0 HG LEU A 66 7.041 13.940 9.113 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.982 16.200 10.130 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.399 15.388 10.158 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.378 15.480 11.641 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.034 14.972 10.219 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.597 14.134 11.728 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.057 13.193 10.289 1.00 0.00 H new ATOM 985 N THR A 67 4.864 10.198 10.571 1.00 0.00 N ATOM 986 CA THR A 67 3.920 9.212 11.069 1.00 0.00 C ATOM 987 C THR A 67 4.357 7.806 10.672 1.00 0.00 C ATOM 988 O THR A 67 4.267 6.866 11.460 1.00 0.00 O ATOM 989 CB THR A 67 2.557 9.561 10.443 1.00 0.00 C ATOM 990 OG1 THR A 67 2.189 10.888 10.769 1.00 0.00 O ATOM 991 CG2 THR A 67 1.440 8.599 10.825 1.00 0.00 C ATOM 0 H THR A 67 4.399 10.897 9.992 1.00 0.00 H new ATOM 0 HA THR A 67 3.865 9.230 12.157 1.00 0.00 H new ATOM 0 HB THR A 67 2.689 9.465 9.365 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.222 10.998 10.652 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.512 8.910 10.346 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.698 7.592 10.496 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.309 8.605 11.907 1.00 0.00 H new ATOM 999 N HIS A 68 4.867 7.660 9.451 1.00 0.00 N ATOM 1000 CA HIS A 68 5.189 6.370 8.858 1.00 0.00 C ATOM 1001 C HIS A 68 6.688 6.260 8.611 1.00 0.00 C ATOM 1002 O HIS A 68 7.124 5.438 7.804 1.00 0.00 O ATOM 1003 CB HIS A 68 4.336 6.143 7.606 1.00 0.00 C ATOM 1004 CG HIS A 68 2.866 6.019 7.918 1.00 0.00 C ATOM 1005 ND1 HIS A 68 2.230 4.882 8.362 1.00 0.00 N ATOM 1006 CD2 HIS A 68 1.918 7.002 7.817 1.00 0.00 C ATOM 1007 CE1 HIS A 68 0.919 5.156 8.453 1.00 0.00 C ATOM 1008 NE2 HIS A 68 0.685 6.441 8.140 1.00 0.00 N ATOM 0 H HIS A 68 5.070 8.450 8.838 1.00 0.00 H new ATOM 0 HA HIS A 68 4.940 5.565 9.550 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.488 6.971 6.913 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.674 5.238 7.101 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.095 8.030 7.537 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.159 4.443 8.738 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -0.219 6.914 8.139 1.00 0.00 H new ATOM 1016 N LYS A 69 7.502 7.032 9.346 1.00 0.00 N ATOM 1017 CA LYS A 69 8.955 6.997 9.215 1.00 0.00 C ATOM 1018 C LYS A 69 9.547 5.613 9.415 1.00 0.00 C ATOM 1019 O LYS A 69 10.630 5.338 8.917 1.00 0.00 O ATOM 1020 CB LYS A 69 9.608 7.985 10.178 1.00 0.00 C ATOM 1021 CG LYS A 69 9.600 7.514 11.646 1.00 0.00 C ATOM 1022 CD LYS A 69 10.279 8.530 12.571 1.00 0.00 C ATOM 1023 CE LYS A 69 9.411 9.741 12.912 1.00 0.00 C ATOM 1024 NZ LYS A 69 8.268 9.391 13.786 1.00 0.00 N ATOM 0 H LYS A 69 7.166 7.695 10.045 1.00 0.00 H new ATOM 0 HA LYS A 69 9.170 7.287 8.186 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.638 8.157 9.866 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.091 8.942 10.110 1.00 0.00 H new ATOM 0 HG2 LYS A 69 8.572 7.356 11.972 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.110 6.554 11.723 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.564 8.029 13.496 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.199 8.877 12.099 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.024 10.496 13.405 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.037 10.187 11.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.123 10.146 14.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.409 9.285 13.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.468 8.496 14.277 1.00 0.00 H new ATOM 1038 N ASN A 70 8.846 4.731 10.122 1.00 0.00 N ATOM 1039 CA ASN A 70 9.318 3.376 10.332 1.00 0.00 C ATOM 1040 C ASN A 70 9.424 2.619 9.006 1.00 0.00 C ATOM 1041 O ASN A 70 10.166 1.640 8.921 1.00 0.00 O ATOM 1042 CB ASN A 70 8.374 2.610 11.256 1.00 0.00 C ATOM 1043 CG ASN A 70 8.099 3.229 12.618 1.00 0.00 C ATOM 1044 OD1 ASN A 70 8.727 4.198 13.044 1.00 0.00 O ATOM 1045 ND2 ASN A 70 7.190 2.625 13.363 1.00 0.00 N ATOM 0 H ASN A 70 7.947 4.936 10.558 1.00 0.00 H new ATOM 0 HA ASN A 70 10.305 3.446 10.790 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.422 2.484 10.741 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.786 1.613 11.412 1.00 0.00 H new ATOM 0 HD21 ASN A 70 6.999 2.961 14.307 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.679 1.823 12.994 1.00 0.00 H new ATOM 1052 N LYS A 71 8.673 3.035 7.978 1.00 0.00 N ATOM 1053 CA LYS A 71 8.742 2.500 6.626 1.00 0.00 C ATOM 1054 C LYS A 71 9.746 3.255 5.758 1.00 0.00 C ATOM 1055 O LYS A 71 9.877 2.937 4.579 1.00 0.00 O ATOM 1056 CB LYS A 71 7.354 2.536 5.957 1.00 0.00 C ATOM 1057 CG LYS A 71 6.132 2.110 6.790 1.00 0.00 C ATOM 1058 CD LYS A 71 6.013 0.601 7.061 1.00 0.00 C ATOM 1059 CE LYS A 71 4.566 0.120 6.851 1.00 0.00 C ATOM 1060 NZ LYS A 71 4.277 -1.175 7.509 1.00 0.00 N ATOM 0 H LYS A 71 7.980 3.778 8.075 1.00 0.00 H new ATOM 0 HA LYS A 71 9.081 1.468 6.712 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.180 3.554 5.607 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.394 1.898 5.074 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.165 2.632 7.746 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.230 2.442 6.277 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.683 0.054 6.397 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.328 0.384 8.082 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.880 0.875 7.235 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.373 0.028 5.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.288 -1.442 7.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.909 -1.907 7.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.431 -1.086 8.534 1.00 0.00 H new ATOM 1074 N ILE A 72 10.395 4.309 6.258 1.00 0.00 N ATOM 1075 CA ILE A 72 11.349 5.075 5.468 1.00 0.00 C ATOM 1076 C ILE A 72 12.739 4.460 5.628 1.00 0.00 C ATOM 1077 O ILE A 72 13.137 4.089 6.735 1.00 0.00 O ATOM 1078 CB ILE A 72 11.311 6.550 5.894 1.00 0.00 C ATOM 1079 CG1 ILE A 72 9.938 7.150 5.540 1.00 0.00 C ATOM 1080 CG2 ILE A 72 12.443 7.372 5.252 1.00 0.00 C ATOM 1081 CD1 ILE A 72 9.753 8.609 5.956 1.00 0.00 C ATOM 0 H ILE A 72 10.273 4.649 7.212 1.00 0.00 H new ATOM 0 HA ILE A 72 11.086 5.038 4.411 1.00 0.00 H new ATOM 0 HB ILE A 72 11.465 6.593 6.972 1.00 0.00 H new ATOM 0 HG12 ILE A 72 9.789 7.072 4.463 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.161 6.550 6.014 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.374 8.408 5.584 1.00 0.00 H new ATOM 0 HG22 ILE A 72 13.407 6.959 5.550 1.00 0.00 H new ATOM 0 HG23 ILE A 72 12.351 7.332 4.167 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.758 8.946 5.667 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.866 8.696 7.037 1.00 0.00 H new ATOM 0 HD13 ILE A 72 10.503 9.226 5.462 1.00 0.00 H new ATOM 1093 N ASN A 73 13.504 4.435 4.536 1.00 0.00 N ATOM 1094 CA ASN A 73 14.879 3.939 4.495 1.00 0.00 C ATOM 1095 C ASN A 73 15.856 4.823 5.282 1.00 0.00 C ATOM 1096 O ASN A 73 16.548 4.332 6.174 1.00 0.00 O ATOM 1097 CB ASN A 73 15.332 3.696 3.039 1.00 0.00 C ATOM 1098 CG ASN A 73 15.480 4.900 2.108 1.00 0.00 C ATOM 1099 OD1 ASN A 73 15.051 6.017 2.389 1.00 0.00 O ATOM 1100 ND2 ASN A 73 16.076 4.684 0.951 1.00 0.00 N ATOM 0 H ASN A 73 13.174 4.769 3.630 1.00 0.00 H new ATOM 0 HA ASN A 73 14.892 2.976 5.006 1.00 0.00 H new ATOM 0 HB2 ASN A 73 16.293 3.183 3.073 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.620 3.009 2.581 1.00 0.00 H new ATOM 0 HD21 ASN A 73 16.183 5.447 0.282 1.00 0.00 H new ATOM 0 HD22 ASN A 73 16.429 3.754 0.725 1.00 0.00 H new ATOM 1107 N LYS A 74 15.940 6.107 4.935 1.00 0.00 N ATOM 1108 CA LYS A 74 16.830 7.157 5.433 1.00 0.00 C ATOM 1109 C LYS A 74 16.586 8.400 4.583 1.00 0.00 C ATOM 1110 O LYS A 74 16.285 9.467 5.105 1.00 0.00 O ATOM 1111 CB LYS A 74 18.319 6.733 5.367 1.00 0.00 C ATOM 1112 CG LYS A 74 19.264 7.820 5.908 1.00 0.00 C ATOM 1113 CD LYS A 74 19.879 8.721 4.832 1.00 0.00 C ATOM 1114 CE LYS A 74 21.238 8.184 4.369 1.00 0.00 C ATOM 1115 NZ LYS A 74 21.640 8.787 3.085 1.00 0.00 N ATOM 0 H LYS A 74 15.317 6.478 4.218 1.00 0.00 H new ATOM 0 HA LYS A 74 16.614 7.354 6.483 1.00 0.00 H new ATOM 0 HB2 LYS A 74 18.458 5.816 5.940 1.00 0.00 H new ATOM 0 HB3 LYS A 74 18.584 6.507 4.334 1.00 0.00 H new ATOM 0 HG2 LYS A 74 18.715 8.442 6.614 1.00 0.00 H new ATOM 0 HG3 LYS A 74 20.068 7.340 6.465 1.00 0.00 H new ATOM 0 HD2 LYS A 74 19.202 8.788 3.980 1.00 0.00 H new ATOM 0 HD3 LYS A 74 19.999 9.731 5.225 1.00 0.00 H new ATOM 0 HE2 LYS A 74 21.993 8.397 5.126 1.00 0.00 H new ATOM 0 HE3 LYS A 74 21.187 7.100 4.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 22.563 8.405 2.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 20.930 8.563 2.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 21.711 9.819 3.193 1.00 0.00 H new ATOM 1129 N ALA A 75 16.666 8.244 3.259 1.00 0.00 N ATOM 1130 CA ALA A 75 16.581 9.322 2.277 1.00 0.00 C ATOM 1131 C ALA A 75 15.152 9.861 2.090 1.00 0.00 C ATOM 1132 O ALA A 75 14.903 10.599 1.141 1.00 0.00 O ATOM 1133 CB ALA A 75 17.160 8.813 0.949 1.00 0.00 C ATOM 0 H ALA A 75 16.797 7.329 2.828 1.00 0.00 H new ATOM 0 HA ALA A 75 17.161 10.168 2.646 1.00 0.00 H new ATOM 0 HB1 ALA A 75 17.106 9.604 0.201 1.00 0.00 H new ATOM 0 HB2 ALA A 75 18.200 8.521 1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 75 16.586 7.952 0.608 1.00 0.00 H new ATOM 1139 N GLY A 76 14.195 9.470 2.936 1.00 0.00 N ATOM 1140 CA GLY A 76 12.792 9.830 2.778 1.00 0.00 C ATOM 1141 C GLY A 76 12.090 8.945 1.757 1.00 0.00 C ATOM 1142 O GLY A 76 10.975 9.256 1.331 1.00 0.00 O ATOM 0 H GLY A 76 14.378 8.890 3.755 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.285 9.747 3.740 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.717 10.872 2.467 1.00 0.00 H new ATOM 1146 N GLU A 77 12.730 7.863 1.312 1.00 0.00 N ATOM 1147 CA GLU A 77 12.086 6.876 0.474 1.00 0.00 C ATOM 1148 C GLU A 77 11.313 5.945 1.380 1.00 0.00 C ATOM 1149 O GLU A 77 11.880 5.328 2.281 1.00 0.00 O ATOM 1150 CB GLU A 77 13.091 6.148 -0.403 1.00 0.00 C ATOM 1151 CG GLU A 77 13.822 7.137 -1.316 1.00 0.00 C ATOM 1152 CD GLU A 77 14.235 6.458 -2.608 1.00 0.00 C ATOM 1153 OE1 GLU A 77 13.377 6.333 -3.506 1.00 0.00 O ATOM 1154 OE2 GLU A 77 15.389 5.978 -2.692 1.00 0.00 O ATOM 0 H GLU A 77 13.705 7.655 1.527 1.00 0.00 H new ATOM 0 HA GLU A 77 11.397 7.353 -0.223 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.811 5.619 0.221 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.580 5.397 -1.006 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.175 7.986 -1.535 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.702 7.530 -0.807 1.00 0.00 H new ATOM 1161 N LEU A 78 10.002 5.919 1.176 1.00 0.00 N ATOM 1162 CA LEU A 78 9.083 5.054 1.872 1.00 0.00 C ATOM 1163 C LEU A 78 9.149 3.728 1.147 1.00 0.00 C ATOM 1164 O LEU A 78 8.785 3.673 -0.032 1.00 0.00 O ATOM 1165 CB LEU A 78 7.670 5.648 1.796 1.00 0.00 C ATOM 1166 CG LEU A 78 6.747 5.030 2.856 1.00 0.00 C ATOM 1167 CD1 LEU A 78 6.957 5.749 4.189 1.00 0.00 C ATOM 1168 CD2 LEU A 78 5.296 5.177 2.423 1.00 0.00 C ATOM 0 H LEU A 78 9.542 6.524 0.496 1.00 0.00 H new ATOM 0 HA LEU A 78 9.333 4.939 2.927 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.719 6.728 1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.254 5.476 0.803 1.00 0.00 H new ATOM 0 HG LEU A 78 6.982 3.972 2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.303 5.313 4.944 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.996 5.640 4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.722 6.807 4.073 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.645 4.737 3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.056 6.234 2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.146 4.665 1.472 1.00 0.00 H new ATOM 1180 N VAL A 79 9.672 2.697 1.798 1.00 0.00 N ATOM 1181 CA VAL A 79 9.842 1.388 1.210 1.00 0.00 C ATOM 1182 C VAL A 79 9.170 0.367 2.120 1.00 0.00 C ATOM 1183 O VAL A 79 9.739 -0.017 3.144 1.00 0.00 O ATOM 1184 CB VAL A 79 11.320 1.067 0.941 1.00 0.00 C ATOM 1185 CG1 VAL A 79 11.335 -0.164 0.025 1.00 0.00 C ATOM 1186 CG2 VAL A 79 12.091 2.255 0.345 1.00 0.00 C ATOM 0 H VAL A 79 9.993 2.755 2.764 1.00 0.00 H new ATOM 0 HA VAL A 79 9.365 1.356 0.230 1.00 0.00 H new ATOM 0 HB VAL A 79 11.840 0.859 1.876 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.366 -0.438 -0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.839 -0.996 0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 79 10.810 0.066 -0.902 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.129 1.968 0.177 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.637 2.545 -0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.055 3.096 1.037 1.00 0.00 H new ATOM 1196 N LEU A 80 7.967 -0.072 1.756 1.00 0.00 N ATOM 1197 CA LEU A 80 7.273 -1.146 2.451 1.00 0.00 C ATOM 1198 C LEU A 80 7.196 -2.366 1.541 1.00 0.00 C ATOM 1199 O LEU A 80 7.327 -2.272 0.315 1.00 0.00 O ATOM 1200 CB LEU A 80 5.910 -0.688 3.020 1.00 0.00 C ATOM 1201 CG LEU A 80 4.732 -0.548 2.037 1.00 0.00 C ATOM 1202 CD1 LEU A 80 3.574 0.148 2.752 1.00 0.00 C ATOM 1203 CD2 LEU A 80 5.027 0.296 0.804 1.00 0.00 C ATOM 0 H LEU A 80 7.447 0.311 0.967 1.00 0.00 H new ATOM 0 HA LEU A 80 7.842 -1.438 3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.616 -1.395 3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.057 0.276 3.506 1.00 0.00 H new ATOM 0 HG LEU A 80 4.510 -1.564 1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.733 0.253 2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.268 -0.447 3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.894 1.134 3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.141 0.338 0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.302 1.305 1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.850 -0.150 0.246 1.00 0.00 H new ATOM 1215 N THR A 81 6.983 -3.523 2.152 1.00 0.00 N ATOM 1216 CA THR A 81 6.731 -4.772 1.459 1.00 0.00 C ATOM 1217 C THR A 81 5.386 -5.291 1.965 1.00 0.00 C ATOM 1218 O THR A 81 4.972 -4.994 3.094 1.00 0.00 O ATOM 1219 CB THR A 81 7.932 -5.740 1.600 1.00 0.00 C ATOM 1220 OG1 THR A 81 7.858 -6.569 2.732 1.00 0.00 O ATOM 1221 CG2 THR A 81 9.307 -5.063 1.649 1.00 0.00 C ATOM 0 H THR A 81 6.981 -3.618 3.168 1.00 0.00 H new ATOM 0 HA THR A 81 6.648 -4.648 0.379 1.00 0.00 H new ATOM 0 HB THR A 81 7.848 -6.325 0.684 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.456 -7.427 2.483 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.083 -5.822 1.749 1.00 0.00 H new ATOM 0 HG22 THR A 81 9.467 -4.498 0.731 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.349 -4.387 2.503 1.00 0.00 H new ATOM 1229 N SER A 82 4.642 -6.001 1.131 1.00 0.00 N ATOM 1230 CA SER A 82 3.458 -6.709 1.557 1.00 0.00 C ATOM 1231 C SER A 82 3.435 -7.999 0.765 1.00 0.00 C ATOM 1232 O SER A 82 3.409 -7.980 -0.470 1.00 0.00 O ATOM 1233 CB SER A 82 2.218 -5.830 1.386 1.00 0.00 C ATOM 1234 OG SER A 82 1.376 -5.988 2.507 1.00 0.00 O ATOM 0 H SER A 82 4.848 -6.099 0.137 1.00 0.00 H new ATOM 0 HA SER A 82 3.465 -6.952 2.619 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.510 -4.785 1.281 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.686 -6.105 0.475 1.00 0.00 H new ATOM 0 HG SER A 82 0.968 -6.879 2.487 1.00 0.00 H new ATOM 1240 N GLU A 83 3.536 -9.113 1.475 1.00 0.00 N ATOM 1241 CA GLU A 83 3.587 -10.420 0.882 1.00 0.00 C ATOM 1242 C GLU A 83 3.049 -11.454 1.859 1.00 0.00 C ATOM 1243 O GLU A 83 3.429 -11.476 3.032 1.00 0.00 O ATOM 1244 CB GLU A 83 5.010 -10.732 0.393 1.00 0.00 C ATOM 1245 CG GLU A 83 6.146 -10.928 1.420 1.00 0.00 C ATOM 1246 CD GLU A 83 6.537 -9.710 2.273 1.00 0.00 C ATOM 1247 OE1 GLU A 83 6.547 -8.569 1.768 1.00 0.00 O ATOM 1248 OE2 GLU A 83 6.917 -9.894 3.457 1.00 0.00 O ATOM 0 H GLU A 83 3.585 -9.123 2.494 1.00 0.00 H new ATOM 0 HA GLU A 83 2.946 -10.452 0.001 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.956 -11.639 -0.210 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.310 -9.924 -0.274 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.857 -11.734 2.094 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.033 -11.264 0.883 1.00 0.00 H new ATOM 1255 N SER A 84 2.169 -12.312 1.357 1.00 0.00 N ATOM 1256 CA SER A 84 1.725 -13.524 2.020 1.00 0.00 C ATOM 1257 C SER A 84 1.289 -14.547 0.959 1.00 0.00 C ATOM 1258 O SER A 84 1.528 -15.749 1.132 1.00 0.00 O ATOM 1259 CB SER A 84 0.608 -13.178 3.015 1.00 0.00 C ATOM 1260 OG SER A 84 0.454 -14.197 3.988 1.00 0.00 O ATOM 0 H SER A 84 1.732 -12.175 0.446 1.00 0.00 H new ATOM 0 HA SER A 84 2.534 -13.977 2.593 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.836 -12.233 3.508 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.331 -13.039 2.478 1.00 0.00 H new ATOM 0 HG SER A 84 -0.262 -13.950 4.610 1.00 0.00 H new ATOM 1266 N SER A 85 0.734 -14.088 -0.173 1.00 0.00 N ATOM 1267 CA SER A 85 0.338 -14.949 -1.278 1.00 0.00 C ATOM 1268 C SER A 85 1.540 -15.244 -2.189 1.00 0.00 C ATOM 1269 O SER A 85 2.662 -14.789 -1.943 1.00 0.00 O ATOM 1270 CB SER A 85 -0.802 -14.288 -2.065 1.00 0.00 C ATOM 1271 OG SER A 85 -1.445 -15.279 -2.844 1.00 0.00 O ATOM 0 H SER A 85 0.549 -13.099 -0.340 1.00 0.00 H new ATOM 0 HA SER A 85 -0.019 -15.900 -0.881 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.513 -13.823 -1.382 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.411 -13.498 -2.706 1.00 0.00 H new ATOM 0 HG SER A 85 -2.011 -14.849 -3.518 1.00 0.00 H new ATOM 1277 N ARG A 86 1.301 -15.974 -3.281 1.00 0.00 N ATOM 1278 CA ARG A 86 2.285 -16.291 -4.318 1.00 0.00 C ATOM 1279 C ARG A 86 2.261 -15.316 -5.499 1.00 0.00 C ATOM 1280 O ARG A 86 3.145 -15.367 -6.349 1.00 0.00 O ATOM 1281 CB ARG A 86 2.053 -17.728 -4.791 1.00 0.00 C ATOM 1282 CG ARG A 86 0.778 -17.885 -5.636 1.00 0.00 C ATOM 1283 CD ARG A 86 0.186 -19.290 -5.565 1.00 0.00 C ATOM 1284 NE ARG A 86 1.057 -20.341 -6.121 1.00 0.00 N ATOM 1285 CZ ARG A 86 1.928 -21.129 -5.475 1.00 0.00 C ATOM 1286 NH1 ARG A 86 2.262 -20.969 -4.201 1.00 0.00 N ATOM 1287 NH2 ARG A 86 2.506 -22.125 -6.116 1.00 0.00 N ATOM 0 H ARG A 86 0.383 -16.375 -3.474 1.00 0.00 H new ATOM 0 HA ARG A 86 3.277 -16.190 -3.878 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.912 -18.055 -5.376 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.990 -18.384 -3.923 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.033 -17.165 -5.297 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.005 -17.644 -6.675 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.033 -19.528 -4.524 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.763 -19.300 -6.100 1.00 0.00 H new ATOM 0 HE ARG A 86 0.988 -20.488 -7.128 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.849 -20.212 -3.657 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.932 -21.603 -3.766 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.290 -22.293 -7.099 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.170 -22.728 -5.630 1.00 0.00 H new ATOM 1301 N TYR A 87 1.243 -14.460 -5.601 1.00 0.00 N ATOM 1302 CA TYR A 87 1.105 -13.595 -6.765 1.00 0.00 C ATOM 1303 C TYR A 87 2.183 -12.500 -6.786 1.00 0.00 C ATOM 1304 O TYR A 87 2.908 -12.307 -5.809 1.00 0.00 O ATOM 1305 CB TYR A 87 -0.298 -12.997 -6.739 1.00 0.00 C ATOM 1306 CG TYR A 87 -1.422 -14.011 -6.565 1.00 0.00 C ATOM 1307 CD1 TYR A 87 -1.610 -15.033 -7.512 1.00 0.00 C ATOM 1308 CD2 TYR A 87 -2.266 -13.962 -5.439 1.00 0.00 C ATOM 1309 CE1 TYR A 87 -2.663 -15.951 -7.379 1.00 0.00 C ATOM 1310 CE2 TYR A 87 -3.314 -14.883 -5.291 1.00 0.00 C ATOM 1311 CZ TYR A 87 -3.524 -15.876 -6.268 1.00 0.00 C ATOM 1312 OH TYR A 87 -4.525 -16.778 -6.135 1.00 0.00 O ATOM 0 H TYR A 87 0.512 -14.350 -4.899 1.00 0.00 H new ATOM 0 HA TYR A 87 1.245 -14.175 -7.677 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.353 -12.271 -5.927 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -0.462 -12.450 -7.667 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -0.936 -15.113 -8.352 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.105 -13.208 -4.682 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.813 -16.714 -8.128 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -3.960 -14.831 -4.427 1.00 0.00 H new ATOM 0 HH TYR A 87 -5.028 -16.590 -5.315 1.00 0.00 H new ATOM 1322 N GLN A 88 2.288 -11.745 -7.883 1.00 0.00 N ATOM 1323 CA GLN A 88 3.081 -10.524 -7.943 1.00 0.00 C ATOM 1324 C GLN A 88 2.104 -9.375 -7.714 1.00 0.00 C ATOM 1325 O GLN A 88 1.985 -8.918 -6.578 1.00 0.00 O ATOM 1326 CB GLN A 88 3.884 -10.413 -9.253 1.00 0.00 C ATOM 1327 CG GLN A 88 5.092 -11.362 -9.325 1.00 0.00 C ATOM 1328 CD GLN A 88 4.723 -12.812 -9.633 1.00 0.00 C ATOM 1329 OE1 GLN A 88 4.689 -13.225 -10.792 1.00 0.00 O ATOM 1330 NE2 GLN A 88 4.470 -13.630 -8.622 1.00 0.00 N ATOM 0 H GLN A 88 1.819 -11.970 -8.760 1.00 0.00 H new ATOM 0 HA GLN A 88 3.854 -10.509 -7.175 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.221 -10.620 -10.093 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.233 -9.387 -9.368 1.00 0.00 H new ATOM 0 HG2 GLN A 88 5.779 -11.002 -10.091 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.626 -11.327 -8.375 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.500 -13.281 -7.664 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.245 -14.609 -8.802 1.00 0.00 H new ATOM 1339 N PHE A 89 1.333 -8.976 -8.734 1.00 0.00 N ATOM 1340 CA PHE A 89 0.420 -7.838 -8.654 1.00 0.00 C ATOM 1341 C PHE A 89 -0.558 -7.950 -7.474 1.00 0.00 C ATOM 1342 O PHE A 89 -0.865 -6.934 -6.867 1.00 0.00 O ATOM 1343 CB PHE A 89 -0.271 -7.586 -10.010 1.00 0.00 C ATOM 1344 CG PHE A 89 -1.475 -6.652 -10.024 1.00 0.00 C ATOM 1345 CD1 PHE A 89 -1.479 -5.438 -9.304 1.00 0.00 C ATOM 1346 CD2 PHE A 89 -2.596 -6.990 -10.806 1.00 0.00 C ATOM 1347 CE1 PHE A 89 -2.625 -4.623 -9.299 1.00 0.00 C ATOM 1348 CE2 PHE A 89 -3.728 -6.158 -10.827 1.00 0.00 C ATOM 1349 CZ PHE A 89 -3.753 -4.988 -10.053 1.00 0.00 C ATOM 0 H PHE A 89 1.328 -9.440 -9.642 1.00 0.00 H new ATOM 0 HA PHE A 89 1.013 -6.949 -8.440 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.474 -7.185 -10.697 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.588 -8.549 -10.410 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.600 -5.134 -8.755 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.586 -7.896 -11.394 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.638 -3.715 -8.715 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.579 -6.419 -11.439 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.638 -4.369 -10.037 1.00 0.00 H new ATOM 1359 N ARG A 90 -1.020 -9.138 -7.066 1.00 0.00 N ATOM 1360 CA ARG A 90 -1.920 -9.232 -5.907 1.00 0.00 C ATOM 1361 C ARG A 90 -1.238 -8.821 -4.602 1.00 0.00 C ATOM 1362 O ARG A 90 -1.822 -8.073 -3.823 1.00 0.00 O ATOM 1363 CB ARG A 90 -2.514 -10.642 -5.779 1.00 0.00 C ATOM 1364 CG ARG A 90 -4.023 -10.613 -5.518 1.00 0.00 C ATOM 1365 CD ARG A 90 -4.367 -10.350 -4.052 1.00 0.00 C ATOM 1366 NE ARG A 90 -5.567 -9.500 -3.919 1.00 0.00 N ATOM 1367 CZ ARG A 90 -6.847 -9.896 -3.973 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -7.163 -11.158 -4.239 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -7.810 -9.009 -3.763 1.00 0.00 N ATOM 0 H ARG A 90 -0.793 -10.029 -7.508 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.730 -8.525 -6.087 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.316 -11.202 -6.693 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.017 -11.171 -4.966 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.479 -9.841 -6.137 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.458 -11.565 -5.823 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.534 -11.298 -3.541 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.522 -9.867 -3.560 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.405 -8.504 -3.770 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.427 -11.844 -4.406 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.142 -11.442 -4.276 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.573 -8.037 -3.563 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.787 -9.299 -3.802 1.00 0.00 H new ATOM 1383 N ASN A 91 -0.029 -9.330 -4.357 1.00 0.00 N ATOM 1384 CA ASN A 91 0.772 -8.971 -3.187 1.00 0.00 C ATOM 1385 C ASN A 91 1.071 -7.470 -3.265 1.00 0.00 C ATOM 1386 O ASN A 91 0.805 -6.723 -2.326 1.00 0.00 O ATOM 1387 CB ASN A 91 2.062 -9.811 -3.153 1.00 0.00 C ATOM 1388 CG ASN A 91 1.923 -11.189 -2.500 1.00 0.00 C ATOM 1389 OD1 ASN A 91 1.266 -11.393 -1.485 1.00 0.00 O ATOM 1390 ND2 ASN A 91 2.561 -12.196 -3.063 1.00 0.00 N ATOM 0 H ASN A 91 0.424 -10.008 -4.970 1.00 0.00 H new ATOM 0 HA ASN A 91 0.232 -9.181 -2.264 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.417 -9.945 -4.175 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.829 -9.249 -2.620 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.504 -13.129 -2.654 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.112 -12.042 -3.908 1.00 0.00 H new ATOM 1397 N LEU A 92 1.527 -7.005 -4.436 1.00 0.00 N ATOM 1398 CA LEU A 92 1.786 -5.596 -4.725 1.00 0.00 C ATOM 1399 C LEU A 92 0.550 -4.736 -4.428 1.00 0.00 C ATOM 1400 O LEU A 92 0.684 -3.638 -3.903 1.00 0.00 O ATOM 1401 CB LEU A 92 2.208 -5.457 -6.194 1.00 0.00 C ATOM 1402 CG LEU A 92 2.546 -4.026 -6.648 1.00 0.00 C ATOM 1403 CD1 LEU A 92 3.756 -3.456 -5.899 1.00 0.00 C ATOM 1404 CD2 LEU A 92 2.819 -4.068 -8.158 1.00 0.00 C ATOM 0 H LEU A 92 1.730 -7.618 -5.226 1.00 0.00 H new ATOM 0 HA LEU A 92 2.591 -5.240 -4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.078 -6.090 -6.367 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.405 -5.840 -6.824 1.00 0.00 H new ATOM 0 HG LEU A 92 1.706 -3.368 -6.423 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.959 -2.445 -6.251 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.544 -3.432 -4.830 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.627 -4.085 -6.082 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.062 -3.066 -8.512 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.656 -4.737 -8.358 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.933 -4.431 -8.678 1.00 0.00 H new ATOM 1416 N ALA A 93 -0.655 -5.212 -4.742 1.00 0.00 N ATOM 1417 CA ALA A 93 -1.899 -4.492 -4.528 1.00 0.00 C ATOM 1418 C ALA A 93 -2.246 -4.361 -3.047 1.00 0.00 C ATOM 1419 O ALA A 93 -3.052 -3.494 -2.711 1.00 0.00 O ATOM 1420 CB ALA A 93 -3.048 -5.195 -5.254 1.00 0.00 C ATOM 0 H ALA A 93 -0.791 -6.132 -5.162 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.758 -3.489 -4.930 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -3.975 -4.646 -5.086 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.836 -5.230 -6.323 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.153 -6.210 -4.871 1.00 0.00 H new ATOM 1426 N GLU A 94 -1.709 -5.191 -2.146 1.00 0.00 N ATOM 1427 CA GLU A 94 -1.773 -4.902 -0.727 1.00 0.00 C ATOM 1428 C GLU A 94 -0.856 -3.724 -0.423 1.00 0.00 C ATOM 1429 O GLU A 94 -1.279 -2.806 0.262 1.00 0.00 O ATOM 1430 CB GLU A 94 -1.391 -6.120 0.114 1.00 0.00 C ATOM 1431 CG GLU A 94 -1.974 -5.919 1.510 1.00 0.00 C ATOM 1432 CD GLU A 94 -1.544 -6.968 2.531 1.00 0.00 C ATOM 1433 OE1 GLU A 94 -0.579 -7.729 2.277 1.00 0.00 O ATOM 1434 OE2 GLU A 94 -2.099 -6.947 3.647 1.00 0.00 O ATOM 0 H GLU A 94 -1.230 -6.060 -2.381 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.800 -4.647 -0.464 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.781 -7.033 -0.336 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.307 -6.226 0.163 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.681 -4.934 1.874 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.062 -5.923 1.440 1.00 0.00 H new ATOM 1441 N CYS A 95 0.356 -3.686 -0.983 1.00 0.00 N ATOM 1442 CA CYS A 95 1.225 -2.519 -0.850 1.00 0.00 C ATOM 1443 C CYS A 95 0.475 -1.249 -1.282 1.00 0.00 C ATOM 1444 O CYS A 95 0.445 -0.280 -0.526 1.00 0.00 O ATOM 1445 CB CYS A 95 2.540 -2.721 -1.621 1.00 0.00 C ATOM 1446 SG CYS A 95 3.855 -3.254 -0.499 1.00 0.00 S ATOM 0 H CYS A 95 0.755 -4.448 -1.531 1.00 0.00 H new ATOM 0 HA CYS A 95 1.498 -2.395 0.198 1.00 0.00 H new ATOM 0 HB2 CYS A 95 2.399 -3.465 -2.405 1.00 0.00 H new ATOM 0 HB3 CYS A 95 2.827 -1.791 -2.112 1.00 0.00 H new ATOM 0 HG CYS A 95 4.956 -3.421 -1.169 1.00 0.00 H new ATOM 1452 N LEU A 96 -0.174 -1.260 -2.453 1.00 0.00 N ATOM 1453 CA LEU A 96 -0.956 -0.117 -2.942 1.00 0.00 C ATOM 1454 C LEU A 96 -2.143 0.193 -2.031 1.00 0.00 C ATOM 1455 O LEU A 96 -2.442 1.366 -1.807 1.00 0.00 O ATOM 1456 CB LEU A 96 -1.452 -0.318 -4.386 1.00 0.00 C ATOM 1457 CG LEU A 96 -0.387 -0.757 -5.407 1.00 0.00 C ATOM 1458 CD1 LEU A 96 -1.009 -0.844 -6.804 1.00 0.00 C ATOM 1459 CD2 LEU A 96 0.871 0.119 -5.438 1.00 0.00 C ATOM 0 H LEU A 96 -0.172 -2.059 -3.087 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.274 0.733 -2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.247 -1.063 -4.376 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.895 0.616 -4.731 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.046 -1.738 -5.077 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.250 -1.155 -7.522 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.821 -1.571 -6.796 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.400 0.133 -7.090 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.564 -0.266 -6.186 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.595 1.143 -5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.349 0.104 -4.459 1.00 0.00 H new ATOM 1471 N GLN A 97 -2.815 -0.834 -1.502 1.00 0.00 N ATOM 1472 CA GLN A 97 -3.887 -0.662 -0.534 1.00 0.00 C ATOM 1473 C GLN A 97 -3.354 0.053 0.706 1.00 0.00 C ATOM 1474 O GLN A 97 -4.030 0.972 1.170 1.00 0.00 O ATOM 1475 CB GLN A 97 -4.521 -2.020 -0.173 1.00 0.00 C ATOM 1476 CG GLN A 97 -5.584 -1.954 0.934 1.00 0.00 C ATOM 1477 CD GLN A 97 -6.829 -1.191 0.500 1.00 0.00 C ATOM 1478 OE1 GLN A 97 -7.772 -1.800 -0.009 1.00 0.00 O ATOM 1479 NE2 GLN A 97 -6.856 0.122 0.671 1.00 0.00 N ATOM 0 H GLN A 97 -2.626 -1.808 -1.738 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.670 -0.046 -0.976 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -4.974 -2.445 -1.069 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.731 -2.703 0.140 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.865 -2.966 1.225 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -5.157 -1.476 1.816 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -6.060 0.598 1.095 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -7.673 0.658 0.378 1.00 0.00 H new ATOM 1488 N LYS A 98 -2.185 -0.336 1.239 1.00 0.00 N ATOM 1489 CA LYS A 98 -1.686 0.291 2.459 1.00 0.00 C ATOM 1490 C LYS A 98 -1.347 1.711 2.114 1.00 0.00 C ATOM 1491 O LYS A 98 -1.810 2.574 2.826 1.00 0.00 O ATOM 1492 CB LYS A 98 -0.468 -0.358 3.129 1.00 0.00 C ATOM 1493 CG LYS A 98 -0.556 -1.888 3.285 1.00 0.00 C ATOM 1494 CD LYS A 98 0.763 -2.641 3.031 1.00 0.00 C ATOM 1495 CE LYS A 98 1.160 -3.345 4.329 1.00 0.00 C ATOM 1496 NZ LYS A 98 2.457 -4.045 4.271 1.00 0.00 N ATOM 0 H LYS A 98 -1.585 -1.064 0.851 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.481 0.181 3.197 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.421 -0.117 2.546 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.333 0.087 4.115 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.900 -2.117 4.294 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.312 -2.266 2.597 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.640 -3.366 2.226 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.544 -1.948 2.719 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.194 -2.608 5.132 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.384 -4.065 4.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.780 -4.259 5.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.350 -4.931 3.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.158 -3.439 3.798 1.00 0.00 H new ATOM 1510 N ILE A 99 -0.606 1.976 1.033 1.00 0.00 N ATOM 1511 CA ILE A 99 -0.275 3.321 0.601 1.00 0.00 C ATOM 1512 C ILE A 99 -1.504 4.241 0.656 1.00 0.00 C ATOM 1513 O ILE A 99 -1.407 5.317 1.245 1.00 0.00 O ATOM 1514 CB ILE A 99 0.416 3.235 -0.775 1.00 0.00 C ATOM 1515 CG1 ILE A 99 1.823 2.625 -0.585 1.00 0.00 C ATOM 1516 CG2 ILE A 99 0.522 4.598 -1.477 1.00 0.00 C ATOM 1517 CD1 ILE A 99 2.390 2.031 -1.876 1.00 0.00 C ATOM 0 H ILE A 99 -0.219 1.248 0.432 1.00 0.00 H new ATOM 0 HA ILE A 99 0.434 3.790 1.284 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.196 2.604 -1.419 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.501 3.395 -0.216 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.777 1.848 0.178 1.00 0.00 H new ATOM 0 HG21 ILE A 99 1.017 4.474 -2.440 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.477 5.006 -1.632 1.00 0.00 H new ATOM 0 HG23 ILE A 99 1.101 5.282 -0.857 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.380 1.617 -1.682 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.730 1.241 -2.233 1.00 0.00 H new ATOM 0 HD13 ILE A 99 2.465 2.811 -2.633 1.00 0.00 H new ATOM 1529 N ARG A 100 -2.648 3.818 0.104 1.00 0.00 N ATOM 1530 CA ARG A 100 -3.893 4.592 0.110 1.00 0.00 C ATOM 1531 C ARG A 100 -4.433 4.771 1.518 1.00 0.00 C ATOM 1532 O ARG A 100 -5.007 5.818 1.813 1.00 0.00 O ATOM 1533 CB ARG A 100 -4.951 3.869 -0.736 1.00 0.00 C ATOM 1534 CG ARG A 100 -4.652 4.001 -2.231 1.00 0.00 C ATOM 1535 CD ARG A 100 -5.244 2.861 -3.059 1.00 0.00 C ATOM 1536 NE ARG A 100 -6.669 2.623 -2.779 1.00 0.00 N ATOM 1537 CZ ARG A 100 -7.289 1.440 -2.860 1.00 0.00 C ATOM 1538 NH1 ARG A 100 -6.641 0.352 -3.261 1.00 0.00 N ATOM 1539 NH2 ARG A 100 -8.565 1.360 -2.521 1.00 0.00 N ATOM 0 H ARG A 100 -2.735 2.917 -0.365 1.00 0.00 H new ATOM 0 HA ARG A 100 -3.675 5.576 -0.306 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.982 2.815 -0.461 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -5.936 4.283 -0.522 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -5.048 4.950 -2.593 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -3.573 4.029 -2.379 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -5.121 3.087 -4.118 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -4.684 1.947 -2.861 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.231 3.427 -2.500 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -5.654 0.410 -3.513 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -7.130 -0.541 -3.317 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.062 2.193 -2.204 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -9.052 0.466 -2.577 1.00 0.00 H new ATOM 1553 N ASP A 101 -4.283 3.761 2.370 1.00 0.00 N ATOM 1554 CA ASP A 101 -4.743 3.805 3.748 1.00 0.00 C ATOM 1555 C ASP A 101 -3.875 4.732 4.585 1.00 0.00 C ATOM 1556 O ASP A 101 -4.390 5.550 5.329 1.00 0.00 O ATOM 1557 CB ASP A 101 -4.755 2.418 4.401 1.00 0.00 C ATOM 1558 CG ASP A 101 -5.986 2.301 5.288 1.00 0.00 C ATOM 1559 OD1 ASP A 101 -7.113 2.398 4.751 1.00 0.00 O ATOM 1560 OD2 ASP A 101 -5.843 2.049 6.505 1.00 0.00 O ATOM 0 H ASP A 101 -3.833 2.881 2.117 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.765 4.183 3.715 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -4.766 1.641 3.636 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.850 2.271 4.991 1.00 0.00 H new ATOM 1565 N MET A 102 -2.558 4.649 4.417 1.00 0.00 N ATOM 1566 CA MET A 102 -1.546 5.477 5.054 1.00 0.00 C ATOM 1567 C MET A 102 -1.765 6.946 4.680 1.00 0.00 C ATOM 1568 O MET A 102 -1.450 7.850 5.448 1.00 0.00 O ATOM 1569 CB MET A 102 -0.148 5.006 4.614 1.00 0.00 C ATOM 1570 CG MET A 102 0.121 3.526 4.976 1.00 0.00 C ATOM 1571 SD MET A 102 1.701 3.144 5.763 1.00 0.00 S ATOM 1572 CE MET A 102 2.772 3.561 4.382 1.00 0.00 C ATOM 0 H MET A 102 -2.146 3.956 3.792 1.00 0.00 H new ATOM 0 HA MET A 102 -1.624 5.383 6.137 1.00 0.00 H new ATOM 0 HB2 MET A 102 -0.047 5.137 3.537 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.608 5.635 5.084 1.00 0.00 H new ATOM 0 HG2 MET A 102 -0.677 3.190 5.638 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.047 2.936 4.063 1.00 0.00 H new ATOM 0 HE1 MET A 102 3.780 3.197 4.581 1.00 0.00 H new ATOM 0 HE2 MET A 102 2.391 3.096 3.473 1.00 0.00 H new ATOM 0 HE3 MET A 102 2.795 4.643 4.254 1.00 0.00 H new ATOM 1582 N ILE A 103 -2.313 7.194 3.489 1.00 0.00 N ATOM 1583 CA ILE A 103 -2.654 8.511 2.976 1.00 0.00 C ATOM 1584 C ILE A 103 -3.976 8.950 3.603 1.00 0.00 C ATOM 1585 O ILE A 103 -4.079 10.078 4.079 1.00 0.00 O ATOM 1586 CB ILE A 103 -2.611 8.433 1.428 1.00 0.00 C ATOM 1587 CG1 ILE A 103 -1.123 8.568 1.024 1.00 0.00 C ATOM 1588 CG2 ILE A 103 -3.507 9.428 0.671 1.00 0.00 C ATOM 1589 CD1 ILE A 103 -0.812 8.067 -0.384 1.00 0.00 C ATOM 0 H ILE A 103 -2.539 6.447 2.832 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.948 9.294 3.251 1.00 0.00 H new ATOM 0 HB ILE A 103 -3.039 7.476 1.129 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.831 9.616 1.098 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.512 8.016 1.738 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -3.392 9.278 -0.402 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.548 9.266 0.950 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -3.217 10.447 0.928 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.251 8.196 -0.590 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.070 7.011 -0.460 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.394 8.636 -1.109 1.00 0.00 H new ATOM 1601 N ALA A 104 -4.959 8.053 3.673 1.00 0.00 N ATOM 1602 CA ALA A 104 -6.242 8.311 4.300 1.00 0.00 C ATOM 1603 C ALA A 104 -6.095 8.636 5.788 1.00 0.00 C ATOM 1604 O ALA A 104 -6.706 9.585 6.290 1.00 0.00 O ATOM 1605 CB ALA A 104 -7.150 7.098 4.079 1.00 0.00 C ATOM 0 H ALA A 104 -4.878 7.112 3.287 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.692 9.191 3.840 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.118 7.279 4.546 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -7.287 6.936 3.010 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.692 6.215 4.524 1.00 0.00 H new ATOM 1611 N GLU A 105 -5.292 7.857 6.504 1.00 0.00 N ATOM 1612 CA GLU A 105 -5.096 7.991 7.938 1.00 0.00 C ATOM 1613 C GLU A 105 -4.330 9.282 8.217 1.00 0.00 C ATOM 1614 O GLU A 105 -4.612 9.965 9.196 1.00 0.00 O ATOM 1615 CB GLU A 105 -4.447 6.723 8.528 1.00 0.00 C ATOM 1616 CG GLU A 105 -2.926 6.640 8.434 1.00 0.00 C ATOM 1617 CD GLU A 105 -2.390 5.389 9.140 1.00 0.00 C ATOM 1618 OE1 GLU A 105 -2.502 4.262 8.595 1.00 0.00 O ATOM 1619 OE2 GLU A 105 -1.901 5.545 10.288 1.00 0.00 O ATOM 0 H GLU A 105 -4.748 7.099 6.092 1.00 0.00 H new ATOM 0 HA GLU A 105 -6.054 8.075 8.450 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -4.730 6.650 9.578 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -4.870 5.855 8.023 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.625 6.626 7.387 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.483 7.530 8.881 1.00 0.00 H new ATOM 1626 N ALA A 106 -3.402 9.652 7.330 1.00 0.00 N ATOM 1627 CA ALA A 106 -2.671 10.907 7.358 1.00 0.00 C ATOM 1628 C ALA A 106 -3.533 12.120 6.980 1.00 0.00 C ATOM 1629 O ALA A 106 -3.036 13.241 7.085 1.00 0.00 O ATOM 1630 CB ALA A 106 -1.480 10.781 6.407 1.00 0.00 C ATOM 0 H ALA A 106 -3.134 9.058 6.545 1.00 0.00 H new ATOM 0 HA ALA A 106 -2.341 11.087 8.381 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.913 11.712 6.409 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -0.837 9.964 6.735 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -1.840 10.577 5.398 1.00 0.00 H new ATOM 1636 N SER A 107 -4.788 11.935 6.558 1.00 0.00 N ATOM 1637 CA SER A 107 -5.641 12.998 6.035 1.00 0.00 C ATOM 1638 C SER A 107 -6.939 13.172 6.839 1.00 0.00 C ATOM 1639 O SER A 107 -7.624 14.181 6.667 1.00 0.00 O ATOM 1640 CB SER A 107 -5.915 12.702 4.558 1.00 0.00 C ATOM 1641 OG SER A 107 -6.321 13.856 3.861 1.00 0.00 O ATOM 0 H SER A 107 -5.245 11.023 6.572 1.00 0.00 H new ATOM 0 HA SER A 107 -5.123 13.952 6.133 1.00 0.00 H new ATOM 0 HB2 SER A 107 -5.016 12.296 4.096 1.00 0.00 H new ATOM 0 HB3 SER A 107 -6.688 11.938 4.478 1.00 0.00 H new ATOM 0 HG SER A 107 -6.868 14.418 4.449 1.00 0.00 H new