USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 539 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 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.382 K(o=0.38,f=-0.21) USER MOD Single : A 24 SER OG : rot -147:sc= 1.17 USER MOD Single : A 27 SER OG : rot 180:sc= -0.118 USER MOD Single : A 37 GLN : amide:sc= -0.198 K(o=-0.2,f=-2.2!) USER MOD Single : A 38 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.0018) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= -0.52 USER MOD Single : A 63 GLN : amide:sc= -1.11 K(o=-1.1,f=-2.6) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 71 GLN : amide:sc= -6.36! K(o=-6.4!,f=-1.7) USER MOD Single : A 72 LYS NZ :NH3+ -159:sc= -0.0772 (180deg=-0.468) USER MOD Single : A 73 CYS SG : rot -161:sc= -9.05! USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.437 X(o=-0.44,f=-0.48) USER MOD Single : A 94 LYS NZ :NH3+ 166:sc= -0.0137 (180deg=-0.185) USER MOD ----------------------------------------------------------------- ATOM 167 N GLY A 15 -3.548 8.078 -5.634 1.00 0.00 N ATOM 168 CA GLY A 15 -3.565 8.248 -4.193 1.00 0.00 C ATOM 169 C GLY A 15 -3.734 6.934 -3.456 1.00 0.00 C ATOM 170 O GLY A 15 -4.503 6.844 -2.499 1.00 0.00 O ATOM 0 HA2 GLY A 15 -2.637 8.722 -3.875 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.377 8.922 -3.919 1.00 0.00 H new ATOM 174 N LYS A 16 -3.015 5.910 -3.904 1.00 0.00 N ATOM 175 CA LYS A 16 -3.089 4.593 -3.282 1.00 0.00 C ATOM 176 C LYS A 16 -1.717 4.150 -2.782 1.00 0.00 C ATOM 177 O LYS A 16 -0.779 3.997 -3.565 1.00 0.00 O ATOM 178 CB LYS A 16 -3.637 3.567 -4.276 1.00 0.00 C ATOM 179 CG LYS A 16 -4.650 4.143 -5.249 1.00 0.00 C ATOM 180 CD LYS A 16 -4.668 3.372 -6.558 1.00 0.00 C ATOM 181 CE LYS A 16 -5.336 4.170 -7.667 1.00 0.00 C ATOM 182 NZ LYS A 16 -4.365 5.038 -8.389 1.00 0.00 N ATOM 0 H LYS A 16 -2.374 5.967 -4.696 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.764 4.659 -2.428 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.807 3.140 -4.839 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.101 2.750 -3.723 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.642 4.120 -4.799 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.413 5.189 -5.445 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.647 3.126 -6.850 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.196 2.429 -6.418 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.807 3.486 -8.373 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.129 4.786 -7.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.860 5.565 -9.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.934 5.708 -7.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.622 4.448 -8.815 1.00 0.00 H new ATOM 196 N THR A 17 -1.608 3.944 -1.473 1.00 0.00 N ATOM 197 CA THR A 17 -0.351 3.519 -0.869 1.00 0.00 C ATOM 198 C THR A 17 -0.590 2.484 0.225 1.00 0.00 C ATOM 199 O THR A 17 -1.707 2.338 0.722 1.00 0.00 O ATOM 200 CB THR A 17 0.418 4.712 -0.272 1.00 0.00 C ATOM 201 OG1 THR A 17 0.859 5.584 -1.319 1.00 0.00 O ATOM 202 CG2 THR A 17 1.615 4.235 0.536 1.00 0.00 C ATOM 0 H THR A 17 -2.375 4.065 -0.811 1.00 0.00 H new ATOM 0 HA THR A 17 0.247 3.073 -1.664 1.00 0.00 H new ATOM 0 HB THR A 17 -0.255 5.254 0.392 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.346 6.341 -0.931 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.142 5.096 0.948 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.273 3.596 1.350 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.289 3.671 -0.110 1.00 0.00 H new ATOM 210 N VAL A 18 0.467 1.769 0.597 1.00 0.00 N ATOM 211 CA VAL A 18 0.372 0.748 1.634 1.00 0.00 C ATOM 212 C VAL A 18 1.738 0.462 2.249 1.00 0.00 C ATOM 213 O VAL A 18 2.661 0.024 1.561 1.00 0.00 O ATOM 214 CB VAL A 18 -0.214 -0.563 1.079 1.00 0.00 C ATOM 215 CG1 VAL A 18 -1.509 -0.294 0.328 1.00 0.00 C ATOM 216 CG2 VAL A 18 0.797 -1.262 0.183 1.00 0.00 C ATOM 0 H VAL A 18 1.399 1.878 0.196 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.295 1.138 2.403 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.439 -1.223 1.917 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.908 -1.232 -0.057 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.234 0.159 1.004 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.314 0.385 -0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.365 -2.187 -0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.056 -0.610 -0.651 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.695 -1.491 0.757 1.00 0.00 H new ATOM 226 N PHE A 19 1.859 0.711 3.548 1.00 0.00 N ATOM 227 CA PHE A 19 3.113 0.480 4.257 1.00 0.00 C ATOM 228 C PHE A 19 2.975 -0.677 5.243 1.00 0.00 C ATOM 229 O PHE A 19 2.095 -0.672 6.103 1.00 0.00 O ATOM 230 CB PHE A 19 3.545 1.747 4.998 1.00 0.00 C ATOM 231 CG PHE A 19 4.793 1.567 5.814 1.00 0.00 C ATOM 232 CD1 PHE A 19 5.936 1.027 5.248 1.00 0.00 C ATOM 233 CD2 PHE A 19 4.823 1.939 7.149 1.00 0.00 C ATOM 234 CE1 PHE A 19 7.086 0.861 5.997 1.00 0.00 C ATOM 235 CE2 PHE A 19 5.970 1.775 7.903 1.00 0.00 C ATOM 236 CZ PHE A 19 7.102 1.234 7.326 1.00 0.00 C ATOM 0 H PHE A 19 1.105 1.073 4.132 1.00 0.00 H new ATOM 0 HA PHE A 19 3.875 0.219 3.522 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.706 2.545 4.273 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.735 2.069 5.653 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.929 0.732 4.209 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.940 2.362 7.605 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.971 0.440 5.543 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.981 2.070 8.942 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.999 1.103 7.914 1.00 0.00 H new ATOM 246 N ILE A 20 3.851 -1.667 5.109 1.00 0.00 N ATOM 247 CA ILE A 20 3.829 -2.830 5.988 1.00 0.00 C ATOM 248 C ILE A 20 4.867 -2.701 7.097 1.00 0.00 C ATOM 249 O ILE A 20 6.014 -2.332 6.848 1.00 0.00 O ATOM 250 CB ILE A 20 4.088 -4.131 5.206 1.00 0.00 C ATOM 251 CG1 ILE A 20 3.284 -4.139 3.904 1.00 0.00 C ATOM 252 CG2 ILE A 20 3.736 -5.341 6.059 1.00 0.00 C ATOM 253 CD1 ILE A 20 4.004 -3.485 2.745 1.00 0.00 C ATOM 0 H ILE A 20 4.585 -1.687 4.401 1.00 0.00 H new ATOM 0 HA ILE A 20 2.833 -2.873 6.430 1.00 0.00 H new ATOM 0 HB ILE A 20 5.148 -4.182 4.957 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.047 -5.169 3.639 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.336 -3.626 4.068 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.924 -6.253 5.492 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.348 -5.341 6.961 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.683 -5.297 6.336 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.375 -3.527 1.856 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.217 -2.444 2.990 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.939 -4.012 2.554 1.00 0.00 H new ATOM 265 N ARG A 21 4.456 -3.010 8.323 1.00 0.00 N ATOM 266 CA ARG A 21 5.350 -2.930 9.472 1.00 0.00 C ATOM 267 C ARG A 21 5.493 -4.291 10.146 1.00 0.00 C ATOM 268 O ARG A 21 4.578 -5.113 10.106 1.00 0.00 O ATOM 269 CB ARG A 21 4.831 -1.902 10.478 1.00 0.00 C ATOM 270 CG ARG A 21 5.359 -0.496 10.241 1.00 0.00 C ATOM 271 CD ARG A 21 4.667 0.518 11.138 1.00 0.00 C ATOM 272 NE ARG A 21 4.994 0.316 12.547 1.00 0.00 N ATOM 273 CZ ARG A 21 6.144 0.693 13.096 1.00 0.00 C ATOM 274 NH1 ARG A 21 7.070 1.289 12.359 1.00 0.00 N ATOM 275 NH2 ARG A 21 6.368 0.474 14.386 1.00 0.00 N ATOM 0 H ARG A 21 3.510 -3.318 8.546 1.00 0.00 H new ATOM 0 HA ARG A 21 6.331 -2.616 9.116 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.742 -1.884 10.437 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.106 -2.220 11.484 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.433 -0.474 10.426 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.210 -0.221 9.197 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.959 1.525 10.839 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.588 0.445 11.002 1.00 0.00 H new ATOM 0 HE ARG A 21 4.302 -0.139 13.142 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.901 1.460 11.368 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.952 1.577 12.783 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.657 0.016 14.956 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.251 0.764 14.807 1.00 0.00 H new ATOM 289 N ASN A 22 6.647 -4.522 10.764 1.00 0.00 N ATOM 290 CA ASN A 22 6.909 -5.783 11.446 1.00 0.00 C ATOM 291 C ASN A 22 7.136 -6.908 10.441 1.00 0.00 C ATOM 292 O ASN A 22 6.484 -7.951 10.502 1.00 0.00 O ATOM 293 CB ASN A 22 5.744 -6.139 12.372 1.00 0.00 C ATOM 294 CG ASN A 22 6.154 -7.095 13.476 1.00 0.00 C ATOM 295 OD1 ASN A 22 7.139 -6.865 14.177 1.00 0.00 O ATOM 296 ND2 ASN A 22 5.397 -8.174 13.634 1.00 0.00 N ATOM 0 H ASN A 22 7.415 -3.852 10.806 1.00 0.00 H new ATOM 0 HA ASN A 22 7.814 -5.663 12.042 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.344 -5.227 12.815 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.942 -6.588 11.786 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.623 -8.854 14.360 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.589 -8.323 13.029 1.00 0.00 H new ATOM 303 N LEU A 23 8.066 -6.690 9.517 1.00 0.00 N ATOM 304 CA LEU A 23 8.381 -7.685 8.498 1.00 0.00 C ATOM 305 C LEU A 23 9.559 -8.553 8.930 1.00 0.00 C ATOM 306 O LEU A 23 10.421 -8.112 9.690 1.00 0.00 O ATOM 307 CB LEU A 23 8.698 -6.999 7.168 1.00 0.00 C ATOM 308 CG LEU A 23 7.502 -6.428 6.406 1.00 0.00 C ATOM 309 CD1 LEU A 23 7.972 -5.552 5.255 1.00 0.00 C ATOM 310 CD2 LEU A 23 6.609 -7.549 5.895 1.00 0.00 C ATOM 0 H LEU A 23 8.615 -5.833 9.453 1.00 0.00 H new ATOM 0 HA LEU A 23 7.509 -8.326 8.370 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.402 -6.189 7.359 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.205 -7.717 6.523 1.00 0.00 H new ATOM 0 HG LEU A 23 6.920 -5.812 7.091 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.107 -5.154 4.724 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.569 -4.728 5.645 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.577 -6.145 4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.763 -7.123 5.355 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.180 -8.192 5.225 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.243 -8.136 6.738 1.00 0.00 H new ATOM 322 N SER A 24 9.590 -9.787 8.438 1.00 0.00 N ATOM 323 CA SER A 24 10.662 -10.717 8.774 1.00 0.00 C ATOM 324 C SER A 24 11.792 -10.635 7.752 1.00 0.00 C ATOM 325 O SER A 24 11.555 -10.420 6.563 1.00 0.00 O ATOM 326 CB SER A 24 10.122 -12.147 8.841 1.00 0.00 C ATOM 327 OG SER A 24 11.027 -13.002 9.517 1.00 0.00 O ATOM 0 H SER A 24 8.885 -10.166 7.805 1.00 0.00 H new ATOM 0 HA SER A 24 11.058 -10.440 9.751 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.160 -12.152 9.353 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.948 -12.521 7.832 1.00 0.00 H new ATOM 0 HG SER A 24 10.982 -13.900 9.127 1.00 0.00 H new ATOM 333 N PHE A 25 13.022 -10.809 8.225 1.00 0.00 N ATOM 334 CA PHE A 25 14.190 -10.754 7.354 1.00 0.00 C ATOM 335 C PHE A 25 14.055 -11.744 6.200 1.00 0.00 C ATOM 336 O PHE A 25 14.417 -11.441 5.063 1.00 0.00 O ATOM 337 CB PHE A 25 15.461 -11.054 8.151 1.00 0.00 C ATOM 338 CG PHE A 25 15.709 -10.084 9.271 1.00 0.00 C ATOM 339 CD1 PHE A 25 16.354 -8.881 9.033 1.00 0.00 C ATOM 340 CD2 PHE A 25 15.297 -10.375 10.561 1.00 0.00 C ATOM 341 CE1 PHE A 25 16.584 -7.987 10.061 1.00 0.00 C ATOM 342 CE2 PHE A 25 15.524 -9.485 11.594 1.00 0.00 C ATOM 343 CZ PHE A 25 16.167 -8.289 11.343 1.00 0.00 C ATOM 0 H PHE A 25 13.235 -10.989 9.206 1.00 0.00 H new ATOM 0 HA PHE A 25 14.257 -9.748 6.941 1.00 0.00 H new ATOM 0 HB2 PHE A 25 15.393 -12.061 8.562 1.00 0.00 H new ATOM 0 HB3 PHE A 25 16.316 -11.042 7.475 1.00 0.00 H new ATOM 0 HD1 PHE A 25 16.681 -8.639 8.032 1.00 0.00 H new ATOM 0 HD2 PHE A 25 14.792 -11.308 10.762 1.00 0.00 H new ATOM 0 HE1 PHE A 25 17.089 -7.053 9.863 1.00 0.00 H new ATOM 0 HE2 PHE A 25 15.199 -9.725 12.596 1.00 0.00 H new ATOM 0 HZ PHE A 25 16.344 -7.591 12.148 1.00 0.00 H new ATOM 353 N ASP A 26 13.532 -12.927 6.501 1.00 0.00 N ATOM 354 CA ASP A 26 13.348 -13.961 5.490 1.00 0.00 C ATOM 355 C ASP A 26 12.424 -13.476 4.377 1.00 0.00 C ATOM 356 O ASP A 26 12.630 -13.788 3.205 1.00 0.00 O ATOM 357 CB ASP A 26 12.778 -15.230 6.125 1.00 0.00 C ATOM 358 CG ASP A 26 11.524 -14.960 6.933 1.00 0.00 C ATOM 359 OD1 ASP A 26 10.545 -14.443 6.355 1.00 0.00 O ATOM 360 OD2 ASP A 26 11.521 -15.267 8.144 1.00 0.00 O ATOM 0 H ASP A 26 13.228 -13.194 7.437 1.00 0.00 H new ATOM 0 HA ASP A 26 14.322 -14.187 5.056 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.554 -15.955 5.343 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.532 -15.680 6.770 1.00 0.00 H new ATOM 365 N SER A 27 11.404 -12.710 4.754 1.00 0.00 N ATOM 366 CA SER A 27 10.446 -12.186 3.788 1.00 0.00 C ATOM 367 C SER A 27 11.162 -11.570 2.590 1.00 0.00 C ATOM 368 O SER A 27 12.176 -10.889 2.743 1.00 0.00 O ATOM 369 CB SER A 27 9.544 -11.141 4.449 1.00 0.00 C ATOM 370 OG SER A 27 8.646 -10.576 3.511 1.00 0.00 O ATOM 0 H SER A 27 11.221 -12.439 5.720 1.00 0.00 H new ATOM 0 HA SER A 27 9.833 -13.016 3.435 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.983 -11.602 5.262 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.156 -10.355 4.890 1.00 0.00 H new ATOM 0 HG SER A 27 8.080 -9.913 3.958 1.00 0.00 H new ATOM 376 N GLU A 28 10.628 -11.816 1.398 1.00 0.00 N ATOM 377 CA GLU A 28 11.216 -11.288 0.174 1.00 0.00 C ATOM 378 C GLU A 28 10.220 -10.405 -0.572 1.00 0.00 C ATOM 379 O GLU A 28 9.026 -10.699 -0.615 1.00 0.00 O ATOM 380 CB GLU A 28 11.678 -12.431 -0.732 1.00 0.00 C ATOM 381 CG GLU A 28 12.599 -13.422 -0.040 1.00 0.00 C ATOM 382 CD GLU A 28 13.485 -14.174 -1.014 1.00 0.00 C ATOM 383 OE1 GLU A 28 12.944 -14.954 -1.826 1.00 0.00 O ATOM 384 OE2 GLU A 28 14.718 -13.984 -0.964 1.00 0.00 O ATOM 0 H GLU A 28 9.789 -12.378 1.255 1.00 0.00 H new ATOM 0 HA GLU A 28 12.078 -10.681 0.450 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.803 -12.962 -1.108 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.193 -12.013 -1.597 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.224 -12.891 0.678 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.000 -14.136 0.525 1.00 0.00 H new ATOM 391 N GLU A 29 10.721 -9.321 -1.157 1.00 0.00 N ATOM 392 CA GLU A 29 9.874 -8.395 -1.900 1.00 0.00 C ATOM 393 C GLU A 29 8.789 -9.144 -2.666 1.00 0.00 C ATOM 394 O GLU A 29 7.679 -8.642 -2.840 1.00 0.00 O ATOM 395 CB GLU A 29 10.718 -7.564 -2.870 1.00 0.00 C ATOM 396 CG GLU A 29 10.139 -6.189 -3.156 1.00 0.00 C ATOM 397 CD GLU A 29 11.137 -5.262 -3.822 1.00 0.00 C ATOM 398 OE1 GLU A 29 12.064 -4.792 -3.130 1.00 0.00 O ATOM 399 OE2 GLU A 29 10.992 -5.008 -5.036 1.00 0.00 O ATOM 0 H GLU A 29 11.707 -9.063 -1.131 1.00 0.00 H new ATOM 0 HA GLU A 29 9.393 -7.728 -1.184 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.721 -7.448 -2.459 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.819 -8.109 -3.809 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.263 -6.294 -3.796 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.799 -5.741 -2.222 1.00 0.00 H new ATOM 406 N GLU A 30 9.119 -10.349 -3.122 1.00 0.00 N ATOM 407 CA GLU A 30 8.172 -11.167 -3.871 1.00 0.00 C ATOM 408 C GLU A 30 7.092 -11.729 -2.951 1.00 0.00 C ATOM 409 O GLU A 30 5.911 -11.419 -3.102 1.00 0.00 O ATOM 410 CB GLU A 30 8.901 -12.311 -4.579 1.00 0.00 C ATOM 411 CG GLU A 30 9.365 -11.961 -5.983 1.00 0.00 C ATOM 412 CD GLU A 30 9.816 -13.177 -6.769 1.00 0.00 C ATOM 413 OE1 GLU A 30 10.681 -13.923 -6.265 1.00 0.00 O ATOM 414 OE2 GLU A 30 9.301 -13.383 -7.888 1.00 0.00 O ATOM 0 H GLU A 30 10.034 -10.780 -2.986 1.00 0.00 H new ATOM 0 HA GLU A 30 7.694 -10.533 -4.618 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.765 -12.604 -3.983 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.240 -13.176 -4.629 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.553 -11.468 -6.518 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.186 -11.247 -5.923 1.00 0.00 H new ATOM 421 N ALA A 31 7.507 -12.559 -2.000 1.00 0.00 N ATOM 422 CA ALA A 31 6.577 -13.163 -1.054 1.00 0.00 C ATOM 423 C ALA A 31 5.664 -12.112 -0.433 1.00 0.00 C ATOM 424 O ALA A 31 4.507 -12.389 -0.115 1.00 0.00 O ATOM 425 CB ALA A 31 7.338 -13.912 0.030 1.00 0.00 C ATOM 0 H ALA A 31 8.481 -12.829 -1.864 1.00 0.00 H new ATOM 0 HA ALA A 31 5.953 -13.871 -1.599 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.631 -14.358 0.729 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.942 -14.697 -0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.988 -13.218 0.564 1.00 0.00 H new ATOM 431 N LEU A 32 6.191 -10.904 -0.262 1.00 0.00 N ATOM 432 CA LEU A 32 5.424 -9.810 0.322 1.00 0.00 C ATOM 433 C LEU A 32 4.341 -9.330 -0.639 1.00 0.00 C ATOM 434 O LEU A 32 3.170 -9.235 -0.274 1.00 0.00 O ATOM 435 CB LEU A 32 6.350 -8.648 0.686 1.00 0.00 C ATOM 436 CG LEU A 32 5.715 -7.507 1.481 1.00 0.00 C ATOM 437 CD1 LEU A 32 6.787 -6.584 2.039 1.00 0.00 C ATOM 438 CD2 LEU A 32 4.740 -6.729 0.610 1.00 0.00 C ATOM 0 H LEU A 32 7.147 -10.658 -0.520 1.00 0.00 H new ATOM 0 HA LEU A 32 4.943 -10.180 1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.187 -9.043 1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.763 -8.236 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 32 5.163 -7.936 2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.316 -5.778 2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.447 -7.149 2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.367 -6.163 1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.297 -5.921 1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.270 -6.312 -0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.953 -7.397 0.259 1.00 0.00 H new ATOM 450 N GLY A 33 4.741 -9.031 -1.871 1.00 0.00 N ATOM 451 CA GLY A 33 3.793 -8.567 -2.867 1.00 0.00 C ATOM 452 C GLY A 33 2.733 -9.602 -3.185 1.00 0.00 C ATOM 453 O GLY A 33 1.546 -9.285 -3.249 1.00 0.00 O ATOM 0 H GLY A 33 5.705 -9.102 -2.197 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.312 -7.657 -2.510 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.328 -8.307 -3.780 1.00 0.00 H new ATOM 457 N GLU A 34 3.163 -10.844 -3.387 1.00 0.00 N ATOM 458 CA GLU A 34 2.241 -11.929 -3.704 1.00 0.00 C ATOM 459 C GLU A 34 1.126 -12.016 -2.665 1.00 0.00 C ATOM 460 O GLU A 34 0.042 -12.529 -2.943 1.00 0.00 O ATOM 461 CB GLU A 34 2.991 -13.260 -3.776 1.00 0.00 C ATOM 462 CG GLU A 34 3.721 -13.478 -5.090 1.00 0.00 C ATOM 463 CD GLU A 34 3.885 -14.946 -5.431 1.00 0.00 C ATOM 464 OE1 GLU A 34 2.859 -15.653 -5.513 1.00 0.00 O ATOM 465 OE2 GLU A 34 5.039 -15.388 -5.615 1.00 0.00 O ATOM 0 H GLU A 34 4.143 -11.124 -3.337 1.00 0.00 H new ATOM 0 HA GLU A 34 1.793 -11.720 -4.676 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.711 -13.306 -2.959 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.283 -14.075 -3.624 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.174 -12.982 -5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.704 -13.009 -5.037 1.00 0.00 H new ATOM 472 N VAL A 35 1.401 -11.511 -1.467 1.00 0.00 N ATOM 473 CA VAL A 35 0.422 -11.530 -0.386 1.00 0.00 C ATOM 474 C VAL A 35 -0.609 -10.420 -0.558 1.00 0.00 C ATOM 475 O VAL A 35 -1.801 -10.623 -0.324 1.00 0.00 O ATOM 476 CB VAL A 35 1.101 -11.377 0.988 1.00 0.00 C ATOM 477 CG1 VAL A 35 0.082 -10.978 2.045 1.00 0.00 C ATOM 478 CG2 VAL A 35 1.810 -12.665 1.378 1.00 0.00 C ATOM 0 H VAL A 35 2.294 -11.084 -1.220 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.079 -12.497 -0.430 1.00 0.00 H new ATOM 0 HB VAL A 35 1.847 -10.585 0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.580 -10.874 3.009 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.376 -10.028 1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.689 -11.745 2.115 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.284 -12.539 2.351 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.086 -13.478 1.430 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.569 -12.903 0.633 1.00 0.00 H new ATOM 488 N LEU A 36 -0.143 -9.246 -0.969 1.00 0.00 N ATOM 489 CA LEU A 36 -1.024 -8.102 -1.174 1.00 0.00 C ATOM 490 C LEU A 36 -1.767 -8.218 -2.501 1.00 0.00 C ATOM 491 O LEU A 36 -2.877 -7.706 -2.648 1.00 0.00 O ATOM 492 CB LEU A 36 -0.221 -6.801 -1.139 1.00 0.00 C ATOM 493 CG LEU A 36 0.670 -6.595 0.087 1.00 0.00 C ATOM 494 CD1 LEU A 36 1.425 -5.279 -0.016 1.00 0.00 C ATOM 495 CD2 LEU A 36 -0.160 -6.638 1.362 1.00 0.00 C ATOM 0 H LEU A 36 0.840 -9.061 -1.167 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.757 -8.091 -0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.406 -6.760 -2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.918 -5.965 -1.201 1.00 0.00 H new ATOM 0 HG LEU A 36 1.398 -7.405 0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.053 -5.150 0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.050 -5.287 -0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.714 -4.455 -0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.490 -6.490 2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.911 -5.849 1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.654 -7.606 1.442 1.00 0.00 H new ATOM 507 N GLN A 37 -1.149 -8.895 -3.463 1.00 0.00 N ATOM 508 CA GLN A 37 -1.753 -9.079 -4.777 1.00 0.00 C ATOM 509 C GLN A 37 -3.108 -9.769 -4.661 1.00 0.00 C ATOM 510 O GLN A 37 -4.042 -9.449 -5.396 1.00 0.00 O ATOM 511 CB GLN A 37 -0.826 -9.898 -5.678 1.00 0.00 C ATOM 512 CG GLN A 37 0.372 -9.114 -6.190 1.00 0.00 C ATOM 513 CD GLN A 37 0.858 -9.607 -7.539 1.00 0.00 C ATOM 514 OE1 GLN A 37 0.123 -10.270 -8.272 1.00 0.00 O ATOM 515 NE2 GLN A 37 2.101 -9.284 -7.875 1.00 0.00 N ATOM 0 H GLN A 37 -0.230 -9.325 -3.357 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.903 -8.095 -5.221 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.471 -10.768 -5.126 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.396 -10.271 -6.529 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.106 -8.060 -6.267 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.184 -9.186 -5.467 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.675 -8.733 -7.237 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.482 -9.587 -8.771 1.00 0.00 H new ATOM 524 N GLN A 38 -3.207 -10.717 -3.735 1.00 0.00 N ATOM 525 CA GLN A 38 -4.448 -11.452 -3.525 1.00 0.00 C ATOM 526 C GLN A 38 -5.647 -10.509 -3.526 1.00 0.00 C ATOM 527 O GLN A 38 -6.735 -10.872 -3.974 1.00 0.00 O ATOM 528 CB GLN A 38 -4.392 -12.223 -2.204 1.00 0.00 C ATOM 529 CG GLN A 38 -4.717 -11.370 -0.988 1.00 0.00 C ATOM 530 CD GLN A 38 -4.770 -12.177 0.294 1.00 0.00 C ATOM 531 OE1 GLN A 38 -5.732 -12.089 1.057 1.00 0.00 O ATOM 532 NE2 GLN A 38 -3.734 -12.972 0.537 1.00 0.00 N ATOM 0 H GLN A 38 -2.443 -10.994 -3.119 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.565 -12.159 -4.346 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.092 -13.057 -2.250 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.396 -12.649 -2.083 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.967 -10.586 -0.888 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.676 -10.876 -1.142 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.958 -13.014 -0.123 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.715 -13.541 1.384 1.00 0.00 H new ATOM 541 N PHE A 39 -5.440 -9.297 -3.022 1.00 0.00 N ATOM 542 CA PHE A 39 -6.504 -8.302 -2.964 1.00 0.00 C ATOM 543 C PHE A 39 -6.682 -7.616 -4.315 1.00 0.00 C ATOM 544 O PHE A 39 -7.783 -7.573 -4.862 1.00 0.00 O ATOM 545 CB PHE A 39 -6.199 -7.259 -1.886 1.00 0.00 C ATOM 546 CG PHE A 39 -6.012 -7.849 -0.518 1.00 0.00 C ATOM 547 CD1 PHE A 39 -7.093 -8.016 0.332 1.00 0.00 C ATOM 548 CD2 PHE A 39 -4.755 -8.235 -0.081 1.00 0.00 C ATOM 549 CE1 PHE A 39 -6.925 -8.559 1.593 1.00 0.00 C ATOM 550 CE2 PHE A 39 -4.581 -8.779 1.178 1.00 0.00 C ATOM 551 CZ PHE A 39 -5.667 -8.939 2.016 1.00 0.00 C ATOM 0 H PHE A 39 -4.545 -8.980 -2.648 1.00 0.00 H new ATOM 0 HA PHE A 39 -7.432 -8.815 -2.711 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.297 -6.714 -2.164 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.012 -6.534 -1.852 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -8.079 -7.719 0.006 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.902 -8.109 -0.731 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.776 -8.685 2.245 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.597 -9.079 1.506 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.532 -9.361 3.001 1.00 0.00 H new ATOM 561 N GLY A 40 -5.588 -7.080 -4.848 1.00 0.00 N ATOM 562 CA GLY A 40 -5.644 -6.403 -6.131 1.00 0.00 C ATOM 563 C GLY A 40 -4.274 -6.239 -6.760 1.00 0.00 C ATOM 564 O GLY A 40 -3.254 -6.355 -6.081 1.00 0.00 O ATOM 0 H GLY A 40 -4.665 -7.102 -4.415 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.286 -6.966 -6.808 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.101 -5.422 -6.001 1.00 0.00 H new ATOM 568 N ASP A 41 -4.251 -5.971 -8.061 1.00 0.00 N ATOM 569 CA ASP A 41 -2.996 -5.793 -8.782 1.00 0.00 C ATOM 570 C ASP A 41 -2.110 -4.765 -8.085 1.00 0.00 C ATOM 571 O ASP A 41 -2.562 -3.673 -7.738 1.00 0.00 O ATOM 572 CB ASP A 41 -3.269 -5.356 -10.222 1.00 0.00 C ATOM 573 CG ASP A 41 -4.243 -6.275 -10.932 1.00 0.00 C ATOM 574 OD1 ASP A 41 -5.464 -6.133 -10.708 1.00 0.00 O ATOM 575 OD2 ASP A 41 -3.785 -7.136 -11.711 1.00 0.00 O ATOM 0 H ASP A 41 -5.087 -5.872 -8.638 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.473 -6.749 -8.793 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.667 -4.341 -10.221 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.330 -5.330 -10.775 1.00 0.00 H new ATOM 580 N LEU A 42 -0.847 -5.123 -7.881 1.00 0.00 N ATOM 581 CA LEU A 42 0.104 -4.232 -7.223 1.00 0.00 C ATOM 582 C LEU A 42 0.914 -3.447 -8.250 1.00 0.00 C ATOM 583 O LEU A 42 1.471 -4.019 -9.187 1.00 0.00 O ATOM 584 CB LEU A 42 1.043 -5.034 -6.320 1.00 0.00 C ATOM 585 CG LEU A 42 0.514 -5.363 -4.924 1.00 0.00 C ATOM 586 CD1 LEU A 42 1.120 -6.661 -4.416 1.00 0.00 C ATOM 587 CD2 LEU A 42 0.806 -4.222 -3.960 1.00 0.00 C ATOM 0 H LEU A 42 -0.457 -6.023 -8.161 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.459 -3.525 -6.614 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.288 -5.969 -6.824 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.974 -4.477 -6.212 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.567 -5.491 -4.987 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.732 -6.879 -3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.859 -7.474 -5.093 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.204 -6.562 -4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.422 -4.474 -2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.883 -4.062 -3.901 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.323 -3.312 -4.316 1.00 0.00 H new ATOM 599 N LYS A 43 0.977 -2.132 -8.065 1.00 0.00 N ATOM 600 CA LYS A 43 1.721 -1.267 -8.972 1.00 0.00 C ATOM 601 C LYS A 43 3.224 -1.445 -8.783 1.00 0.00 C ATOM 602 O LYS A 43 3.976 -1.531 -9.754 1.00 0.00 O ATOM 603 CB LYS A 43 1.337 0.197 -8.744 1.00 0.00 C ATOM 604 CG LYS A 43 2.197 1.179 -9.520 1.00 0.00 C ATOM 605 CD LYS A 43 1.653 1.411 -10.920 1.00 0.00 C ATOM 606 CE LYS A 43 0.631 2.537 -10.942 1.00 0.00 C ATOM 607 NZ LYS A 43 -0.188 2.518 -12.186 1.00 0.00 N ATOM 0 H LYS A 43 0.521 -1.643 -7.295 1.00 0.00 H new ATOM 0 HA LYS A 43 1.465 -1.548 -9.994 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.294 0.338 -9.026 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.413 0.422 -7.680 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.242 2.127 -8.984 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.217 0.800 -9.583 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.474 1.651 -11.595 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.194 0.494 -11.289 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.024 2.450 -10.075 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.144 3.495 -10.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.873 3.301 -12.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.434 2.626 -13.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.698 1.614 -12.252 1.00 0.00 H new ATOM 621 N TYR A 44 3.655 -1.500 -7.528 1.00 0.00 N ATOM 622 CA TYR A 44 5.068 -1.667 -7.211 1.00 0.00 C ATOM 623 C TYR A 44 5.255 -2.094 -5.758 1.00 0.00 C ATOM 624 O TYR A 44 4.492 -1.694 -4.879 1.00 0.00 O ATOM 625 CB TYR A 44 5.828 -0.366 -7.473 1.00 0.00 C ATOM 626 CG TYR A 44 5.897 0.549 -6.271 1.00 0.00 C ATOM 627 CD1 TYR A 44 6.756 0.274 -5.214 1.00 0.00 C ATOM 628 CD2 TYR A 44 5.102 1.686 -6.192 1.00 0.00 C ATOM 629 CE1 TYR A 44 6.821 1.106 -4.112 1.00 0.00 C ATOM 630 CE2 TYR A 44 5.162 2.524 -5.095 1.00 0.00 C ATOM 631 CZ TYR A 44 6.023 2.230 -4.058 1.00 0.00 C ATOM 632 OH TYR A 44 6.085 3.061 -2.964 1.00 0.00 O ATOM 0 H TYR A 44 3.046 -1.431 -6.713 1.00 0.00 H new ATOM 0 HA TYR A 44 5.468 -2.450 -7.855 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.841 -0.606 -7.795 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.349 0.165 -8.296 1.00 0.00 H new ATOM 0 HD1 TYR A 44 7.383 -0.604 -5.254 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.426 1.919 -7.002 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.493 0.877 -3.298 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.538 3.404 -5.050 1.00 0.00 H new ATOM 0 HH TYR A 44 5.461 3.807 -3.084 1.00 0.00 H new ATOM 642 N VAL A 45 6.276 -2.909 -5.515 1.00 0.00 N ATOM 643 CA VAL A 45 6.566 -3.390 -4.169 1.00 0.00 C ATOM 644 C VAL A 45 8.049 -3.256 -3.845 1.00 0.00 C ATOM 645 O VAL A 45 8.879 -4.001 -4.367 1.00 0.00 O ATOM 646 CB VAL A 45 6.145 -4.862 -3.996 1.00 0.00 C ATOM 647 CG1 VAL A 45 6.627 -5.697 -5.173 1.00 0.00 C ATOM 648 CG2 VAL A 45 6.678 -5.418 -2.684 1.00 0.00 C ATOM 0 H VAL A 45 6.916 -3.250 -6.232 1.00 0.00 H new ATOM 0 HA VAL A 45 5.990 -2.771 -3.481 1.00 0.00 H new ATOM 0 HB VAL A 45 5.056 -4.910 -3.969 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.321 -6.734 -5.033 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.192 -5.311 -6.095 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.714 -5.645 -5.235 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.371 -6.459 -2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.766 -5.358 -2.679 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.279 -4.836 -1.853 1.00 0.00 H new ATOM 658 N ARG A 46 8.377 -2.301 -2.980 1.00 0.00 N ATOM 659 CA ARG A 46 9.761 -2.069 -2.587 1.00 0.00 C ATOM 660 C ARG A 46 9.937 -2.256 -1.083 1.00 0.00 C ATOM 661 O ARG A 46 9.136 -1.766 -0.287 1.00 0.00 O ATOM 662 CB ARG A 46 10.198 -0.659 -2.991 1.00 0.00 C ATOM 663 CG ARG A 46 11.682 -0.548 -3.300 1.00 0.00 C ATOM 664 CD ARG A 46 12.215 0.841 -2.982 1.00 0.00 C ATOM 665 NE ARG A 46 13.425 1.150 -3.739 1.00 0.00 N ATOM 666 CZ ARG A 46 14.267 2.124 -3.413 1.00 0.00 C ATOM 667 NH1 ARG A 46 14.032 2.879 -2.348 1.00 0.00 N ATOM 668 NH2 ARG A 46 15.347 2.344 -4.151 1.00 0.00 N ATOM 0 H ARG A 46 7.703 -1.676 -2.538 1.00 0.00 H new ATOM 0 HA ARG A 46 10.387 -2.798 -3.102 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.629 -0.348 -3.867 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.950 0.034 -2.187 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.232 -1.291 -2.722 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.853 -0.772 -4.353 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.448 1.583 -3.205 1.00 0.00 H new ATOM 0 HD3 ARG A 46 12.427 0.912 -1.915 1.00 0.00 H new ATOM 0 HE ARG A 46 13.635 0.587 -4.563 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.203 2.712 -1.777 1.00 0.00 H new ATOM 0 HH12 ARG A 46 14.680 3.626 -2.100 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.532 1.765 -4.970 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.993 3.092 -3.899 1.00 0.00 H new ATOM 682 N VAL A 47 10.992 -2.969 -0.700 1.00 0.00 N ATOM 683 CA VAL A 47 11.274 -3.221 0.708 1.00 0.00 C ATOM 684 C VAL A 47 12.604 -2.601 1.121 1.00 0.00 C ATOM 685 O VAL A 47 13.657 -2.954 0.591 1.00 0.00 O ATOM 686 CB VAL A 47 11.307 -4.731 1.012 1.00 0.00 C ATOM 687 CG1 VAL A 47 12.016 -5.485 -0.102 1.00 0.00 C ATOM 688 CG2 VAL A 47 11.978 -4.989 2.353 1.00 0.00 C ATOM 0 H VAL A 47 11.665 -3.382 -1.345 1.00 0.00 H new ATOM 0 HA VAL A 47 10.469 -2.760 1.280 1.00 0.00 H new ATOM 0 HB VAL A 47 10.281 -5.095 1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.029 -6.550 0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 47 11.488 -5.326 -1.042 1.00 0.00 H new ATOM 0 HG13 VAL A 47 13.039 -5.121 -0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 47 11.993 -6.061 2.552 1.00 0.00 H new ATOM 0 HG22 VAL A 47 13.000 -4.610 2.327 1.00 0.00 H new ATOM 0 HG23 VAL A 47 11.423 -4.481 3.141 1.00 0.00 H new ATOM 698 N VAL A 48 12.549 -1.675 2.073 1.00 0.00 N ATOM 699 CA VAL A 48 13.749 -1.006 2.560 1.00 0.00 C ATOM 700 C VAL A 48 14.633 -1.967 3.346 1.00 0.00 C ATOM 701 O VAL A 48 14.166 -2.656 4.255 1.00 0.00 O ATOM 702 CB VAL A 48 13.398 0.198 3.453 1.00 0.00 C ATOM 703 CG1 VAL A 48 12.603 -0.252 4.669 1.00 0.00 C ATOM 704 CG2 VAL A 48 14.660 0.935 3.874 1.00 0.00 C ATOM 0 H VAL A 48 11.685 -1.371 2.522 1.00 0.00 H new ATOM 0 HA VAL A 48 14.291 -0.652 1.683 1.00 0.00 H new ATOM 0 HB VAL A 48 12.778 0.886 2.878 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.364 0.613 5.288 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.680 -0.731 4.343 1.00 0.00 H new ATOM 0 HG13 VAL A 48 13.195 -0.961 5.248 1.00 0.00 H new ATOM 0 HG21 VAL A 48 14.393 1.783 4.505 1.00 0.00 H new ATOM 0 HG22 VAL A 48 15.308 0.258 4.431 1.00 0.00 H new ATOM 0 HG23 VAL A 48 15.185 1.293 2.988 1.00 0.00 H new ATOM 857 N GLY A 58 12.794 -4.268 8.361 1.00 0.00 N ATOM 858 CA GLY A 58 11.609 -4.798 9.010 1.00 0.00 C ATOM 859 C GLY A 58 10.335 -4.138 8.521 1.00 0.00 C ATOM 860 O GLY A 58 9.300 -4.205 9.184 1.00 0.00 O ATOM 0 HA2 GLY A 58 11.550 -5.872 8.831 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.696 -4.659 10.088 1.00 0.00 H new ATOM 864 N CYS A 59 10.411 -3.497 7.360 1.00 0.00 N ATOM 865 CA CYS A 59 9.256 -2.819 6.784 1.00 0.00 C ATOM 866 C CYS A 59 9.416 -2.657 5.276 1.00 0.00 C ATOM 867 O CYS A 59 10.520 -2.771 4.743 1.00 0.00 O ATOM 868 CB CYS A 59 9.063 -1.450 7.438 1.00 0.00 C ATOM 869 SG CYS A 59 10.448 -0.313 7.192 1.00 0.00 S ATOM 0 H CYS A 59 11.261 -3.433 6.799 1.00 0.00 H new ATOM 0 HA CYS A 59 8.375 -3.432 6.974 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.157 -0.993 7.040 1.00 0.00 H new ATOM 0 HB3 CYS A 59 8.906 -1.589 8.508 1.00 0.00 H new ATOM 0 HG CYS A 59 10.191 0.818 7.779 1.00 0.00 H new ATOM 875 N ALA A 60 8.307 -2.393 4.593 1.00 0.00 N ATOM 876 CA ALA A 60 8.324 -2.216 3.146 1.00 0.00 C ATOM 877 C ALA A 60 7.135 -1.382 2.681 1.00 0.00 C ATOM 878 O ALA A 60 6.088 -1.361 3.329 1.00 0.00 O ATOM 879 CB ALA A 60 8.329 -3.568 2.449 1.00 0.00 C ATOM 0 H ALA A 60 7.385 -2.297 5.019 1.00 0.00 H new ATOM 0 HA ALA A 60 9.235 -1.680 2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.342 -3.421 1.369 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.214 -4.129 2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.435 -4.125 2.729 1.00 0.00 H new ATOM 885 N PHE A 61 7.303 -0.697 1.555 1.00 0.00 N ATOM 886 CA PHE A 61 6.244 0.140 1.004 1.00 0.00 C ATOM 887 C PHE A 61 5.759 -0.408 -0.335 1.00 0.00 C ATOM 888 O PHE A 61 6.559 -0.809 -1.179 1.00 0.00 O ATOM 889 CB PHE A 61 6.738 1.578 0.831 1.00 0.00 C ATOM 890 CG PHE A 61 7.293 2.177 2.092 1.00 0.00 C ATOM 891 CD1 PHE A 61 8.611 1.957 2.458 1.00 0.00 C ATOM 892 CD2 PHE A 61 6.496 2.961 2.910 1.00 0.00 C ATOM 893 CE1 PHE A 61 9.123 2.506 3.618 1.00 0.00 C ATOM 894 CE2 PHE A 61 7.002 3.514 4.071 1.00 0.00 C ATOM 895 CZ PHE A 61 8.318 3.287 4.425 1.00 0.00 C ATOM 0 H PHE A 61 8.163 -0.705 1.006 1.00 0.00 H new ATOM 0 HA PHE A 61 5.408 0.133 1.704 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.507 1.599 0.059 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.914 2.197 0.476 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.245 1.350 1.830 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.467 3.142 2.637 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.151 2.325 3.894 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.370 4.123 4.701 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.717 3.719 5.331 1.00 0.00 H new ATOM 905 N ALA A 62 4.443 -0.421 -0.520 1.00 0.00 N ATOM 906 CA ALA A 62 3.851 -0.918 -1.756 1.00 0.00 C ATOM 907 C ALA A 62 2.798 0.049 -2.288 1.00 0.00 C ATOM 908 O ALA A 62 2.470 1.041 -1.638 1.00 0.00 O ATOM 909 CB ALA A 62 3.242 -2.294 -1.534 1.00 0.00 C ATOM 0 H ALA A 62 3.767 -0.093 0.170 1.00 0.00 H new ATOM 0 HA ALA A 62 4.642 -0.999 -2.501 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.804 -2.652 -2.465 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.018 -2.987 -1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.468 -2.230 -0.770 1.00 0.00 H new ATOM 915 N GLN A 63 2.275 -0.247 -3.473 1.00 0.00 N ATOM 916 CA GLN A 63 1.260 0.598 -4.092 1.00 0.00 C ATOM 917 C GLN A 63 0.261 -0.240 -4.882 1.00 0.00 C ATOM 918 O GLN A 63 0.642 -1.168 -5.597 1.00 0.00 O ATOM 919 CB GLN A 63 1.917 1.631 -5.010 1.00 0.00 C ATOM 920 CG GLN A 63 0.974 2.736 -5.456 1.00 0.00 C ATOM 921 CD GLN A 63 1.320 3.282 -6.827 1.00 0.00 C ATOM 922 OE1 GLN A 63 0.535 3.169 -7.769 1.00 0.00 O ATOM 923 NE2 GLN A 63 2.501 3.878 -6.946 1.00 0.00 N ATOM 0 H GLN A 63 2.537 -1.065 -4.024 1.00 0.00 H new ATOM 0 HA GLN A 63 0.722 1.117 -3.299 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.766 2.077 -4.492 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.311 1.124 -5.891 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.047 2.354 -5.469 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.002 3.547 -4.729 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.120 3.949 -6.138 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.789 4.265 -7.845 1.00 0.00 H new ATOM 932 N PHE A 64 -1.019 0.092 -4.749 1.00 0.00 N ATOM 933 CA PHE A 64 -2.073 -0.632 -5.450 1.00 0.00 C ATOM 934 C PHE A 64 -2.494 0.110 -6.715 1.00 0.00 C ATOM 935 O PHE A 64 -2.178 1.287 -6.891 1.00 0.00 O ATOM 936 CB PHE A 64 -3.283 -0.827 -4.534 1.00 0.00 C ATOM 937 CG PHE A 64 -3.198 -2.062 -3.684 1.00 0.00 C ATOM 938 CD1 PHE A 64 -2.594 -2.021 -2.438 1.00 0.00 C ATOM 939 CD2 PHE A 64 -3.722 -3.264 -4.131 1.00 0.00 C ATOM 940 CE1 PHE A 64 -2.513 -3.157 -1.654 1.00 0.00 C ATOM 941 CE2 PHE A 64 -3.645 -4.403 -3.351 1.00 0.00 C ATOM 942 CZ PHE A 64 -3.041 -4.349 -2.111 1.00 0.00 C ATOM 0 H PHE A 64 -1.351 0.857 -4.162 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.681 -1.608 -5.736 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.383 0.044 -3.886 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.186 -0.876 -5.143 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -2.182 -1.091 -2.075 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.196 -3.312 -5.100 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.037 -3.113 -0.685 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.057 -5.334 -3.712 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.981 -5.237 -1.499 1.00 0.00 H new ATOM 952 N MET A 65 -3.207 -0.587 -7.594 1.00 0.00 N ATOM 953 CA MET A 65 -3.672 0.006 -8.842 1.00 0.00 C ATOM 954 C MET A 65 -4.991 0.743 -8.636 1.00 0.00 C ATOM 955 O MET A 65 -5.363 1.607 -9.431 1.00 0.00 O ATOM 956 CB MET A 65 -3.839 -1.074 -9.913 1.00 0.00 C ATOM 957 CG MET A 65 -2.522 -1.651 -10.405 1.00 0.00 C ATOM 958 SD MET A 65 -2.618 -2.253 -12.102 1.00 0.00 S ATOM 959 CE MET A 65 -1.757 -0.946 -12.974 1.00 0.00 C ATOM 0 H MET A 65 -3.475 -1.563 -7.465 1.00 0.00 H new ATOM 0 HA MET A 65 -2.923 0.725 -9.175 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.452 -1.881 -9.511 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.381 -0.653 -10.760 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.747 -0.887 -10.338 1.00 0.00 H new ATOM 0 HG3 MET A 65 -2.221 -2.469 -9.750 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.733 -1.174 -14.040 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.276 -0.001 -12.817 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.737 -0.867 -12.597 1.00 0.00 H new ATOM 969 N THR A 66 -5.697 0.397 -7.564 1.00 0.00 N ATOM 970 CA THR A 66 -6.975 1.024 -7.255 1.00 0.00 C ATOM 971 C THR A 66 -7.120 1.267 -5.757 1.00 0.00 C ATOM 972 O THR A 66 -6.865 0.376 -4.948 1.00 0.00 O ATOM 973 CB THR A 66 -8.156 0.163 -7.741 1.00 0.00 C ATOM 974 OG1 THR A 66 -8.035 -1.168 -7.227 1.00 0.00 O ATOM 975 CG2 THR A 66 -8.207 0.123 -9.261 1.00 0.00 C ATOM 0 H THR A 66 -5.404 -0.315 -6.895 1.00 0.00 H new ATOM 0 HA THR A 66 -6.993 1.980 -7.779 1.00 0.00 H new ATOM 0 HB THR A 66 -9.080 0.611 -7.374 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.790 -1.709 -7.539 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.049 -0.491 -9.581 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.328 1.135 -9.648 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.280 -0.304 -9.645 1.00 0.00 H new ATOM 983 N GLN A 67 -7.532 2.478 -5.396 1.00 0.00 N ATOM 984 CA GLN A 67 -7.711 2.837 -3.994 1.00 0.00 C ATOM 985 C GLN A 67 -8.412 1.718 -3.231 1.00 0.00 C ATOM 986 O GLN A 67 -7.936 1.273 -2.187 1.00 0.00 O ATOM 987 CB GLN A 67 -8.515 4.133 -3.875 1.00 0.00 C ATOM 988 CG GLN A 67 -7.708 5.380 -4.198 1.00 0.00 C ATOM 989 CD GLN A 67 -8.515 6.654 -4.038 1.00 0.00 C ATOM 990 OE1 GLN A 67 -9.723 6.671 -4.274 1.00 0.00 O ATOM 991 NE2 GLN A 67 -7.849 7.730 -3.635 1.00 0.00 N ATOM 0 H GLN A 67 -7.748 3.227 -6.054 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.725 2.989 -3.556 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.373 4.082 -4.545 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.907 4.216 -2.861 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.835 5.423 -3.546 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.339 5.314 -5.221 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.848 7.671 -3.451 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.339 8.616 -3.510 1.00 0.00 H new ATOM 1000 N GLU A 68 -9.546 1.268 -3.760 1.00 0.00 N ATOM 1001 CA GLU A 68 -10.313 0.202 -3.127 1.00 0.00 C ATOM 1002 C GLU A 68 -9.401 -0.943 -2.696 1.00 0.00 C ATOM 1003 O GLU A 68 -9.571 -1.515 -1.620 1.00 0.00 O ATOM 1004 CB GLU A 68 -11.388 -0.320 -4.082 1.00 0.00 C ATOM 1005 CG GLU A 68 -12.577 -0.949 -3.376 1.00 0.00 C ATOM 1006 CD GLU A 68 -13.593 -1.525 -4.344 1.00 0.00 C ATOM 1007 OE1 GLU A 68 -13.182 -2.261 -5.266 1.00 0.00 O ATOM 1008 OE2 GLU A 68 -14.798 -1.239 -4.180 1.00 0.00 O ATOM 0 H GLU A 68 -9.953 1.625 -4.624 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.794 0.614 -2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.740 0.503 -4.704 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.942 -1.057 -4.750 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.225 -1.739 -2.713 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.061 -0.199 -2.750 1.00 0.00 H new ATOM 1015 N ALA A 69 -8.433 -1.272 -3.545 1.00 0.00 N ATOM 1016 CA ALA A 69 -7.492 -2.347 -3.253 1.00 0.00 C ATOM 1017 C ALA A 69 -6.762 -2.094 -1.939 1.00 0.00 C ATOM 1018 O ALA A 69 -6.840 -2.898 -1.010 1.00 0.00 O ATOM 1019 CB ALA A 69 -6.496 -2.500 -4.392 1.00 0.00 C ATOM 0 H ALA A 69 -8.280 -0.809 -4.441 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.056 -3.274 -3.152 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.800 -3.306 -4.161 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.030 -2.735 -5.313 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.944 -1.569 -4.520 1.00 0.00 H new ATOM 1025 N ALA A 70 -6.051 -0.974 -1.868 1.00 0.00 N ATOM 1026 CA ALA A 70 -5.307 -0.615 -0.667 1.00 0.00 C ATOM 1027 C ALA A 70 -6.146 -0.843 0.587 1.00 0.00 C ATOM 1028 O ALA A 70 -5.668 -1.410 1.568 1.00 0.00 O ATOM 1029 CB ALA A 70 -4.849 0.834 -0.742 1.00 0.00 C ATOM 0 H ALA A 70 -5.974 -0.299 -2.629 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.429 -1.259 -0.608 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.295 1.088 0.162 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.206 0.968 -1.612 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.718 1.486 -0.830 1.00 0.00 H new ATOM 1035 N GLN A 71 -7.396 -0.395 0.545 1.00 0.00 N ATOM 1036 CA GLN A 71 -8.300 -0.549 1.679 1.00 0.00 C ATOM 1037 C GLN A 71 -8.527 -2.023 1.998 1.00 0.00 C ATOM 1038 O GLN A 71 -8.464 -2.436 3.156 1.00 0.00 O ATOM 1039 CB GLN A 71 -9.638 0.134 1.388 1.00 0.00 C ATOM 1040 CG GLN A 71 -9.504 1.604 1.026 1.00 0.00 C ATOM 1041 CD GLN A 71 -8.401 2.298 1.801 1.00 0.00 C ATOM 1042 OE1 GLN A 71 -8.665 3.065 2.728 1.00 0.00 O ATOM 1043 NE2 GLN A 71 -7.155 2.032 1.425 1.00 0.00 N ATOM 0 H GLN A 71 -7.806 0.077 -0.261 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.839 -0.075 2.546 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.133 -0.389 0.570 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.282 0.041 2.263 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.305 1.695 -0.042 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.451 2.109 1.218 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.982 1.390 0.651 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.372 2.470 1.910 1.00 0.00 H new ATOM 1052 N LYS A 72 -8.793 -2.813 0.963 1.00 0.00 N ATOM 1053 CA LYS A 72 -9.029 -4.242 1.131 1.00 0.00 C ATOM 1054 C LYS A 72 -7.828 -4.919 1.784 1.00 0.00 C ATOM 1055 O LYS A 72 -7.962 -5.968 2.415 1.00 0.00 O ATOM 1056 CB LYS A 72 -9.323 -4.894 -0.222 1.00 0.00 C ATOM 1057 CG LYS A 72 -10.625 -4.430 -0.851 1.00 0.00 C ATOM 1058 CD LYS A 72 -10.858 -5.089 -2.200 1.00 0.00 C ATOM 1059 CE LYS A 72 -12.287 -4.886 -2.680 1.00 0.00 C ATOM 1060 NZ LYS A 72 -13.272 -5.558 -1.788 1.00 0.00 N ATOM 0 H LYS A 72 -8.851 -2.487 -0.002 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.893 -4.368 1.783 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.502 -4.678 -0.906 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.356 -5.976 -0.095 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.455 -4.661 -0.184 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.606 -3.347 -0.972 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.165 -4.676 -2.933 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.646 -6.156 -2.127 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.507 -3.819 -2.726 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.389 -5.276 -3.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.162 -5.710 -2.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.891 -6.475 -1.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.452 -4.960 -0.957 1.00 0.00 H new ATOM 1074 N CYS A 73 -6.657 -4.312 1.629 1.00 0.00 N ATOM 1075 CA CYS A 73 -5.432 -4.856 2.205 1.00 0.00 C ATOM 1076 C CYS A 73 -5.337 -4.529 3.691 1.00 0.00 C ATOM 1077 O CYS A 73 -4.772 -5.295 4.472 1.00 0.00 O ATOM 1078 CB CYS A 73 -4.209 -4.304 1.470 1.00 0.00 C ATOM 1079 SG CYS A 73 -2.659 -4.474 2.384 1.00 0.00 S ATOM 0 H CYS A 73 -6.530 -3.443 1.110 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.457 -5.940 2.091 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.112 -4.816 0.513 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.375 -3.249 1.251 1.00 0.00 H new ATOM 0 HG CYS A 73 -1.776 -3.653 1.898 1.00 0.00 H new ATOM 1085 N LEU A 74 -5.893 -3.385 4.076 1.00 0.00 N ATOM 1086 CA LEU A 74 -5.870 -2.954 5.470 1.00 0.00 C ATOM 1087 C LEU A 74 -6.871 -3.750 6.302 1.00 0.00 C ATOM 1088 O LEU A 74 -6.491 -4.476 7.220 1.00 0.00 O ATOM 1089 CB LEU A 74 -6.182 -1.460 5.567 1.00 0.00 C ATOM 1090 CG LEU A 74 -5.241 -0.526 4.805 1.00 0.00 C ATOM 1091 CD1 LEU A 74 -5.874 0.845 4.632 1.00 0.00 C ATOM 1092 CD2 LEU A 74 -3.905 -0.412 5.525 1.00 0.00 C ATOM 0 H LEU A 74 -6.365 -2.739 3.443 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.871 -3.136 5.865 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.196 -1.297 5.203 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.171 -1.175 6.619 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.063 -0.948 3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.190 1.496 4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.805 0.748 4.073 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.082 1.276 5.611 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.248 0.256 4.969 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.064 -0.013 6.527 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.445 -1.397 5.596 1.00 0.00 H new ATOM 1104 N ALA A 75 -8.150 -3.608 5.973 1.00 0.00 N ATOM 1105 CA ALA A 75 -9.205 -4.317 6.687 1.00 0.00 C ATOM 1106 C ALA A 75 -8.827 -5.776 6.920 1.00 0.00 C ATOM 1107 O ALA A 75 -9.269 -6.395 7.887 1.00 0.00 O ATOM 1108 CB ALA A 75 -10.516 -4.225 5.919 1.00 0.00 C ATOM 0 H ALA A 75 -8.481 -3.009 5.217 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.332 -3.843 7.660 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.295 -4.759 6.464 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.801 -3.179 5.810 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.392 -4.672 4.933 1.00 0.00 H new ATOM 1114 N ALA A 76 -8.007 -6.319 6.026 1.00 0.00 N ATOM 1115 CA ALA A 76 -7.568 -7.705 6.135 1.00 0.00 C ATOM 1116 C ALA A 76 -6.329 -7.821 7.015 1.00 0.00 C ATOM 1117 O ALA A 76 -6.173 -8.788 7.759 1.00 0.00 O ATOM 1118 CB ALA A 76 -7.293 -8.281 4.754 1.00 0.00 C ATOM 0 H ALA A 76 -7.633 -5.820 5.218 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.368 -8.278 6.603 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.966 -9.316 4.850 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.203 -8.242 4.156 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.512 -7.698 4.265 1.00 0.00 H new ATOM 1124 N ALA A 77 -5.450 -6.828 6.926 1.00 0.00 N ATOM 1125 CA ALA A 77 -4.225 -6.818 7.715 1.00 0.00 C ATOM 1126 C ALA A 77 -4.529 -6.630 9.198 1.00 0.00 C ATOM 1127 O ALA A 77 -3.877 -7.225 10.055 1.00 0.00 O ATOM 1128 CB ALA A 77 -3.288 -5.725 7.223 1.00 0.00 C ATOM 0 H ALA A 77 -5.564 -6.020 6.315 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.735 -7.783 7.591 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.377 -5.730 7.822 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.036 -5.905 6.178 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.779 -4.756 7.316 1.00 0.00 H new ATOM 1134 N SER A 78 -5.522 -5.796 9.492 1.00 0.00 N ATOM 1135 CA SER A 78 -5.909 -5.526 10.872 1.00 0.00 C ATOM 1136 C SER A 78 -6.371 -6.803 11.567 1.00 0.00 C ATOM 1137 O SER A 78 -7.401 -7.379 11.212 1.00 0.00 O ATOM 1138 CB SER A 78 -7.022 -4.477 10.915 1.00 0.00 C ATOM 1139 OG SER A 78 -7.245 -4.024 12.239 1.00 0.00 O ATOM 0 H SER A 78 -6.072 -5.296 8.794 1.00 0.00 H new ATOM 0 HA SER A 78 -5.036 -5.142 11.400 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.755 -3.633 10.279 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.942 -4.901 10.513 1.00 0.00 H new ATOM 0 HG SER A 78 -7.959 -3.353 12.239 1.00 0.00 H new ATOM 1225 N LEU A 86 -3.318 -10.612 8.640 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.328 -11.281 7.803 1.00 0.00 C ATOM 1227 C LEU A 86 -1.017 -11.473 8.558 1.00 0.00 C ATOM 1228 O LEU A 86 -0.639 -10.646 9.388 1.00 0.00 O ATOM 1229 CB LEU A 86 -2.082 -10.475 6.526 1.00 0.00 C ATOM 1230 CG LEU A 86 -3.052 -10.734 5.372 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -4.456 -10.283 5.743 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -2.579 -10.026 4.110 1.00 0.00 C ATOM 0 HA LEU A 86 -2.719 -12.263 7.535 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.121 -9.415 6.776 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.070 -10.683 6.178 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.077 -11.806 5.177 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.132 -10.475 4.910 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.795 -10.834 6.620 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.449 -9.216 5.965 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.281 -10.221 3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.525 -8.953 4.293 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.592 -10.397 3.833 1.00 0.00 H new ATOM 1244 N LYS A 87 -0.325 -12.567 8.263 1.00 0.00 N ATOM 1245 CA LYS A 87 0.947 -12.867 8.910 1.00 0.00 C ATOM 1246 C LYS A 87 1.888 -13.592 7.952 1.00 0.00 C ATOM 1247 O LYS A 87 1.459 -14.440 7.169 1.00 0.00 O ATOM 1248 CB LYS A 87 0.718 -13.720 10.160 1.00 0.00 C ATOM 1249 CG LYS A 87 -0.162 -13.050 11.201 1.00 0.00 C ATOM 1250 CD LYS A 87 0.202 -13.494 12.608 1.00 0.00 C ATOM 1251 CE LYS A 87 -0.566 -14.742 13.014 1.00 0.00 C ATOM 1252 NZ LYS A 87 0.013 -15.379 14.229 1.00 0.00 N ATOM 0 H LYS A 87 -0.624 -13.262 7.579 1.00 0.00 H new ATOM 0 HA LYS A 87 1.409 -11.924 9.201 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.263 -14.666 9.866 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.682 -13.957 10.610 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.060 -11.968 11.122 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.207 -13.287 11.003 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.273 -13.690 12.663 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.011 -12.689 13.311 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.608 -14.482 13.202 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -0.559 -15.457 12.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -0.539 -16.226 14.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.000 -15.650 14.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.017 -14.706 15.021 1.00 0.00 H new ATOM 1266 N LEU A 88 3.170 -13.254 8.022 1.00 0.00 N ATOM 1267 CA LEU A 88 4.172 -13.874 7.162 1.00 0.00 C ATOM 1268 C LEU A 88 5.256 -14.555 7.991 1.00 0.00 C ATOM 1269 O LEU A 88 6.184 -13.904 8.472 1.00 0.00 O ATOM 1270 CB LEU A 88 4.801 -12.827 6.241 1.00 0.00 C ATOM 1271 CG LEU A 88 5.365 -13.347 4.918 1.00 0.00 C ATOM 1272 CD1 LEU A 88 4.264 -13.454 3.875 1.00 0.00 C ATOM 1273 CD2 LEU A 88 6.485 -12.444 4.424 1.00 0.00 C ATOM 0 H LEU A 88 3.541 -12.554 8.665 1.00 0.00 H new ATOM 0 HA LEU A 88 3.675 -14.631 6.555 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.050 -12.069 6.019 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.604 -12.330 6.785 1.00 0.00 H new ATOM 0 HG LEU A 88 5.776 -14.342 5.086 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.683 -13.826 2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.495 -14.142 4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.823 -12.471 3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.874 -12.829 3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.099 -11.436 4.272 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.285 -12.419 5.164 1.00 0.00 H new ATOM 1285 N ASP A 89 5.133 -15.867 8.153 1.00 0.00 N ATOM 1286 CA ASP A 89 6.103 -16.638 8.922 1.00 0.00 C ATOM 1287 C ASP A 89 5.998 -16.315 10.410 1.00 0.00 C ATOM 1288 O ASP A 89 7.000 -16.041 11.069 1.00 0.00 O ATOM 1289 CB ASP A 89 7.521 -16.352 8.426 1.00 0.00 C ATOM 1290 CG ASP A 89 7.620 -16.373 6.913 1.00 0.00 C ATOM 1291 OD1 ASP A 89 7.603 -17.479 6.333 1.00 0.00 O ATOM 1292 OD2 ASP A 89 7.716 -15.284 6.309 1.00 0.00 O ATOM 0 H ASP A 89 4.370 -16.420 7.762 1.00 0.00 H new ATOM 0 HA ASP A 89 5.882 -17.696 8.781 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.842 -15.378 8.795 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.205 -17.092 8.842 1.00 0.00 H new ATOM 1297 N GLY A 90 4.775 -16.348 10.932 1.00 0.00 N ATOM 1298 CA GLY A 90 4.561 -16.057 12.337 1.00 0.00 C ATOM 1299 C GLY A 90 4.856 -14.610 12.681 1.00 0.00 C ATOM 1300 O GLY A 90 5.314 -14.308 13.783 1.00 0.00 O ATOM 0 H GLY A 90 3.930 -16.571 10.407 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.528 -16.286 12.599 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.195 -16.707 12.940 1.00 0.00 H new ATOM 1304 N ARG A 91 4.595 -13.714 11.734 1.00 0.00 N ATOM 1305 CA ARG A 91 4.838 -12.291 11.942 1.00 0.00 C ATOM 1306 C ARG A 91 3.634 -11.464 11.501 1.00 0.00 C ATOM 1307 O ARG A 91 3.232 -11.508 10.339 1.00 0.00 O ATOM 1308 CB ARG A 91 6.084 -11.848 11.172 1.00 0.00 C ATOM 1309 CG ARG A 91 7.387 -12.305 11.808 1.00 0.00 C ATOM 1310 CD ARG A 91 7.922 -11.271 12.787 1.00 0.00 C ATOM 1311 NE ARG A 91 9.159 -11.711 13.426 1.00 0.00 N ATOM 1312 CZ ARG A 91 9.744 -11.057 14.423 1.00 0.00 C ATOM 1313 NH1 ARG A 91 9.206 -9.940 14.894 1.00 0.00 N ATOM 1314 NH2 ARG A 91 10.869 -11.521 14.953 1.00 0.00 N ATOM 0 H ARG A 91 4.216 -13.948 10.816 1.00 0.00 H new ATOM 0 HA ARG A 91 4.999 -12.127 13.007 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.030 -12.237 10.155 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.087 -10.761 11.098 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.228 -13.251 12.327 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.128 -12.489 11.030 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.099 -10.332 12.262 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.170 -11.072 13.551 1.00 0.00 H new ATOM 0 HE ARG A 91 9.598 -12.568 13.088 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.341 -9.581 14.490 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.658 -9.440 15.660 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.285 -12.381 14.595 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.317 -11.018 15.719 1.00 0.00 H new ATOM 1328 N GLN A 92 3.065 -10.712 12.437 1.00 0.00 N ATOM 1329 CA GLN A 92 1.907 -9.876 12.145 1.00 0.00 C ATOM 1330 C GLN A 92 2.301 -8.681 11.282 1.00 0.00 C ATOM 1331 O GLN A 92 3.097 -7.838 11.697 1.00 0.00 O ATOM 1332 CB GLN A 92 1.261 -9.391 13.444 1.00 0.00 C ATOM 1333 CG GLN A 92 -0.236 -9.155 13.327 1.00 0.00 C ATOM 1334 CD GLN A 92 -0.575 -7.998 12.407 1.00 0.00 C ATOM 1335 OE1 GLN A 92 -0.091 -6.881 12.591 1.00 0.00 O ATOM 1336 NE2 GLN A 92 -1.411 -8.261 11.410 1.00 0.00 N ATOM 0 H GLN A 92 3.387 -10.664 13.404 1.00 0.00 H new ATOM 0 HA GLN A 92 1.186 -10.478 11.592 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.444 -10.126 14.228 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.743 -8.465 13.756 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.715 -10.061 12.956 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.648 -8.959 14.317 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -1.788 -9.202 11.295 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.676 -7.522 10.759 1.00 0.00 H new ATOM 1345 N LEU A 93 1.740 -8.616 10.080 1.00 0.00 N ATOM 1346 CA LEU A 93 2.033 -7.524 9.157 1.00 0.00 C ATOM 1347 C LEU A 93 1.080 -6.354 9.378 1.00 0.00 C ATOM 1348 O LEU A 93 -0.140 -6.514 9.329 1.00 0.00 O ATOM 1349 CB LEU A 93 1.933 -8.012 7.711 1.00 0.00 C ATOM 1350 CG LEU A 93 2.499 -9.405 7.432 1.00 0.00 C ATOM 1351 CD1 LEU A 93 2.125 -9.862 6.030 1.00 0.00 C ATOM 1352 CD2 LEU A 93 4.010 -9.412 7.612 1.00 0.00 C ATOM 0 H LEU A 93 1.080 -9.306 9.721 1.00 0.00 H new ATOM 0 HA LEU A 93 3.050 -7.182 9.349 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.883 -8.003 7.417 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.450 -7.297 7.071 1.00 0.00 H new ATOM 0 HG LEU A 93 2.065 -10.103 8.147 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.536 -10.855 5.849 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.040 -9.896 5.936 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.531 -9.163 5.299 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.396 -10.411 7.410 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.462 -8.701 6.920 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.256 -9.129 8.635 1.00 0.00 H new ATOM 1364 N LYS A 94 1.644 -5.175 9.620 1.00 0.00 N ATOM 1365 CA LYS A 94 0.846 -3.976 9.845 1.00 0.00 C ATOM 1366 C LYS A 94 0.797 -3.111 8.589 1.00 0.00 C ATOM 1367 O LYS A 94 1.752 -2.399 8.276 1.00 0.00 O ATOM 1368 CB LYS A 94 1.420 -3.168 11.011 1.00 0.00 C ATOM 1369 CG LYS A 94 0.859 -3.570 12.364 1.00 0.00 C ATOM 1370 CD LYS A 94 1.029 -2.462 13.390 1.00 0.00 C ATOM 1371 CE LYS A 94 0.532 -2.892 14.762 1.00 0.00 C ATOM 1372 NZ LYS A 94 1.359 -3.991 15.332 1.00 0.00 N ATOM 0 H LYS A 94 2.652 -5.025 9.665 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.169 -4.287 10.091 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.503 -3.287 11.026 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.218 -2.110 10.843 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.199 -3.814 12.262 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.362 -4.472 12.714 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.080 -2.182 13.454 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.483 -1.577 13.065 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.548 -2.037 15.438 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.505 -3.219 14.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.147 -4.095 16.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.141 -4.881 14.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.367 -3.766 15.210 1.00 0.00 H new ATOM 1386 N VAL A 95 -0.321 -3.177 7.874 1.00 0.00 N ATOM 1387 CA VAL A 95 -0.495 -2.399 6.654 1.00 0.00 C ATOM 1388 C VAL A 95 -1.262 -1.110 6.929 1.00 0.00 C ATOM 1389 O VAL A 95 -2.335 -1.131 7.533 1.00 0.00 O ATOM 1390 CB VAL A 95 -1.240 -3.206 5.574 1.00 0.00 C ATOM 1391 CG1 VAL A 95 -1.238 -2.457 4.250 1.00 0.00 C ATOM 1392 CG2 VAL A 95 -0.617 -4.585 5.416 1.00 0.00 C ATOM 0 H VAL A 95 -1.120 -3.762 8.119 1.00 0.00 H new ATOM 0 HA VAL A 95 0.503 -2.155 6.290 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.275 -3.333 5.890 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.769 -3.043 3.500 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.733 -1.494 4.376 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.210 -2.296 3.924 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.155 -5.142 4.649 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.428 -4.481 5.123 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.676 -5.122 6.363 1.00 0.00 H new ATOM 1402 N ASP A 96 -0.706 0.010 6.481 1.00 0.00 N ATOM 1403 CA ASP A 96 -1.338 1.309 6.678 1.00 0.00 C ATOM 1404 C ASP A 96 -1.123 2.207 5.464 1.00 0.00 C ATOM 1405 O ASP A 96 -0.062 2.180 4.838 1.00 0.00 O ATOM 1406 CB ASP A 96 -0.784 1.985 7.933 1.00 0.00 C ATOM 1407 CG ASP A 96 -1.698 3.078 8.452 1.00 0.00 C ATOM 1408 OD1 ASP A 96 -2.924 2.981 8.234 1.00 0.00 O ATOM 1409 OD2 ASP A 96 -1.187 4.030 9.078 1.00 0.00 O ATOM 0 H ASP A 96 0.181 0.044 5.979 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.409 1.149 6.804 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -0.639 1.236 8.712 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.196 2.409 7.712 1.00 0.00 H new ATOM 1414 N LEU A 97 -2.135 3.002 5.135 1.00 0.00 N ATOM 1415 CA LEU A 97 -2.058 3.908 3.995 1.00 0.00 C ATOM 1416 C LEU A 97 -0.940 4.929 4.185 1.00 0.00 C ATOM 1417 O LEU A 97 -1.107 5.923 4.890 1.00 0.00 O ATOM 1418 CB LEU A 97 -3.393 4.629 3.798 1.00 0.00 C ATOM 1419 CG LEU A 97 -3.567 5.370 2.472 1.00 0.00 C ATOM 1420 CD1 LEU A 97 -2.243 5.959 2.012 1.00 0.00 C ATOM 1421 CD2 LEU A 97 -4.136 4.438 1.412 1.00 0.00 C ATOM 0 H LEU A 97 -3.019 3.037 5.642 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.838 3.315 3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.195 3.897 3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.520 5.345 4.610 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.271 6.188 2.624 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.386 6.483 1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.876 6.659 2.762 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.516 5.158 1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.253 4.982 0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.456 3.599 1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.106 4.065 1.739 1.00 0.00 H new ATOM 1433 N ALA A 98 0.200 4.676 3.550 1.00 0.00 N ATOM 1434 CA ALA A 98 1.344 5.574 3.646 1.00 0.00 C ATOM 1435 C ALA A 98 1.250 6.694 2.615 1.00 0.00 C ATOM 1436 O ALA A 98 0.272 6.789 1.874 1.00 0.00 O ATOM 1437 CB ALA A 98 2.640 4.798 3.469 1.00 0.00 C ATOM 0 H ALA A 98 0.356 3.856 2.963 1.00 0.00 H new ATOM 0 HA ALA A 98 1.338 6.027 4.637 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.486 5.481 3.543 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.718 4.038 4.246 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.646 4.318 2.490 1.00 0.00 H new ATOM 1443 N VAL A 99 2.274 7.541 2.574 1.00 0.00 N ATOM 1444 CA VAL A 99 2.307 8.655 1.634 1.00 0.00 C ATOM 1445 C VAL A 99 3.719 9.210 1.490 1.00 0.00 C ATOM 1446 O VAL A 99 4.463 9.308 2.466 1.00 0.00 O ATOM 1447 CB VAL A 99 1.363 9.790 2.075 1.00 0.00 C ATOM 1448 CG1 VAL A 99 1.805 10.362 3.413 1.00 0.00 C ATOM 1449 CG2 VAL A 99 1.307 10.878 1.013 1.00 0.00 C ATOM 0 H VAL A 99 3.091 7.477 3.181 1.00 0.00 H new ATOM 0 HA VAL A 99 1.972 8.268 0.672 1.00 0.00 H new ATOM 0 HB VAL A 99 0.360 9.380 2.196 1.00 0.00 H new ATOM 0 HG11 VAL A 99 1.127 11.162 3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.789 9.576 4.168 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.816 10.758 3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.636 11.672 1.341 1.00 0.00 H new ATOM 0 HG22 VAL A 99 2.305 11.287 0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.940 10.455 0.078 1.00 0.00 H new