USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 812 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 60 SER OG : rot -96:sc= 0.221 USER MOD Set 1.2: A 74 SER OG : rot 6:sc= 0.62 USER MOD Set 2.1: A 35 THR OG1 : rot -99:sc= 0.127 USER MOD Set 2.2: A 38 SER OG : rot -140:sc= -0.448 USER MOD Single : A 16 ASN : amide:sc= -0.722! X(o=-0.72!,f=-0.75) USER MOD Single : A 17 MET CE :methyl 176:sc= -1.22 (180deg=-1.27) USER MOD Single : A 26 CYS SG : rot 180:sc= -1.3 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot -64:sc= -1.25 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0208 X(o=-0.021,f=0) USER MOD Single : A 50 MET CE :methyl -149:sc= -0.283 (180deg=-1.57) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot 180:sc= -0.242 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 41:sc= 0.00939 USER MOD Single : A 102 SER OG : rot 80:sc= 0.618 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.0221 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 107 LYS NZ :NH3+ 166:sc= -1.54 (180deg=-2.22!) USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.0778 USER MOD Single : A 123 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.13) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 160 N LEU A 13 3.362 0.946 13.516 1.00 0.00 N ATOM 161 CA LEU A 13 3.737 -0.066 12.543 1.00 0.00 C ATOM 162 C LEU A 13 5.257 -0.055 12.363 1.00 0.00 C ATOM 163 O LEU A 13 5.910 -1.087 12.511 1.00 0.00 O ATOM 164 CB LEU A 13 2.962 0.131 11.239 1.00 0.00 C ATOM 165 CG LEU A 13 1.439 0.019 11.341 1.00 0.00 C ATOM 166 CD1 LEU A 13 0.753 0.998 10.387 1.00 0.00 C ATOM 167 CD2 LEU A 13 0.979 -1.423 11.112 1.00 0.00 C ATOM 0 HA LEU A 13 3.465 -1.059 12.901 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.208 1.114 10.838 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.313 -0.605 10.516 1.00 0.00 H new ATOM 0 HG LEU A 13 1.143 0.295 12.353 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.329 0.898 10.479 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.046 2.017 10.639 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.052 0.777 9.362 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.107 -1.475 11.190 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.288 -1.750 10.119 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.428 -2.072 11.864 1.00 0.00 H new ATOM 179 N PHE A 14 5.775 1.122 12.046 1.00 0.00 N ATOM 180 CA PHE A 14 7.205 1.281 11.844 1.00 0.00 C ATOM 181 C PHE A 14 7.930 1.462 13.179 1.00 0.00 C ATOM 182 O PHE A 14 8.656 2.437 13.368 1.00 0.00 O ATOM 183 CB PHE A 14 7.400 2.540 10.997 1.00 0.00 C ATOM 184 CG PHE A 14 6.451 2.637 9.800 1.00 0.00 C ATOM 185 CD1 PHE A 14 6.716 1.939 8.663 1.00 0.00 C ATOM 186 CD2 PHE A 14 5.343 3.422 9.873 1.00 0.00 C ATOM 187 CE1 PHE A 14 5.836 2.030 7.553 1.00 0.00 C ATOM 188 CE2 PHE A 14 4.463 3.513 8.763 1.00 0.00 C ATOM 189 CZ PHE A 14 4.728 2.815 7.626 1.00 0.00 C ATOM 0 H PHE A 14 5.230 1.975 11.924 1.00 0.00 H new ATOM 0 HA PHE A 14 7.613 0.395 11.356 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.261 3.417 11.630 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.428 2.567 10.636 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.596 1.316 8.605 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.133 3.976 10.776 1.00 0.00 H new ATOM 0 HE1 PHE A 14 6.046 1.476 6.650 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.583 4.136 8.821 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.059 2.884 6.781 1.00 0.00 H new ATOM 199 N GLU A 15 7.709 0.507 14.071 1.00 0.00 N ATOM 200 CA GLU A 15 8.333 0.549 15.382 1.00 0.00 C ATOM 201 C GLU A 15 9.717 -0.103 15.333 1.00 0.00 C ATOM 202 O GLU A 15 10.704 0.497 15.754 1.00 0.00 O ATOM 203 CB GLU A 15 7.447 -0.124 16.432 1.00 0.00 C ATOM 204 CG GLU A 15 6.724 0.917 17.289 1.00 0.00 C ATOM 205 CD GLU A 15 6.936 0.644 18.779 1.00 0.00 C ATOM 206 OE1 GLU A 15 6.482 -0.430 19.230 1.00 0.00 O ATOM 207 OE2 GLU A 15 7.548 1.515 19.434 1.00 0.00 O ATOM 0 H GLU A 15 7.106 -0.300 13.911 1.00 0.00 H new ATOM 0 HA GLU A 15 8.455 1.593 15.672 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.716 -0.765 15.939 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.056 -0.765 17.069 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.090 1.914 17.043 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.658 0.904 17.061 1.00 0.00 H new ATOM 214 N ASN A 16 9.743 -1.322 14.816 1.00 0.00 N ATOM 215 CA ASN A 16 10.989 -2.062 14.706 1.00 0.00 C ATOM 216 C ASN A 16 11.458 -2.050 13.250 1.00 0.00 C ATOM 217 O ASN A 16 12.343 -2.816 12.873 1.00 0.00 O ATOM 218 CB ASN A 16 10.804 -3.520 15.131 1.00 0.00 C ATOM 219 CG ASN A 16 9.903 -4.268 14.146 1.00 0.00 C ATOM 220 OD1 ASN A 16 8.718 -4.456 14.368 1.00 0.00 O ATOM 221 ND2 ASN A 16 10.529 -4.683 13.049 1.00 0.00 N ATOM 0 H ASN A 16 8.921 -1.816 14.468 1.00 0.00 H new ATOM 0 HA ASN A 16 11.721 -1.587 15.358 1.00 0.00 H new ATOM 0 HB2 ASN A 16 11.775 -4.012 15.187 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.369 -3.559 16.129 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.015 -5.192 12.330 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.523 -4.492 12.926 1.00 0.00 H new ATOM 228 N MET A 17 10.843 -1.172 12.471 1.00 0.00 N ATOM 229 CA MET A 17 11.186 -1.051 11.064 1.00 0.00 C ATOM 230 C MET A 17 12.227 0.049 10.847 1.00 0.00 C ATOM 231 O MET A 17 11.972 1.217 11.138 1.00 0.00 O ATOM 232 CB MET A 17 9.927 -0.728 10.257 1.00 0.00 C ATOM 233 CG MET A 17 8.958 -1.912 10.257 1.00 0.00 C ATOM 234 SD MET A 17 7.411 -1.435 9.505 1.00 0.00 S ATOM 235 CE MET A 17 7.906 -1.372 7.791 1.00 0.00 C ATOM 0 H MET A 17 10.109 -0.538 12.787 1.00 0.00 H new ATOM 0 HA MET A 17 11.609 -1.998 10.730 1.00 0.00 H new ATOM 0 HB2 MET A 17 9.436 0.149 10.678 1.00 0.00 H new ATOM 0 HB3 MET A 17 10.202 -0.478 9.232 1.00 0.00 H new ATOM 0 HG2 MET A 17 9.394 -2.749 9.712 1.00 0.00 H new ATOM 0 HG3 MET A 17 8.786 -2.252 11.278 1.00 0.00 H new ATOM 0 HE1 MET A 17 7.037 -1.156 7.169 1.00 0.00 H new ATOM 0 HE2 MET A 17 8.652 -0.589 7.656 1.00 0.00 H new ATOM 0 HE3 MET A 17 8.332 -2.332 7.500 1.00 0.00 H new ATOM 245 N ASP A 18 13.379 -0.362 10.337 1.00 0.00 N ATOM 246 CA ASP A 18 14.459 0.573 10.077 1.00 0.00 C ATOM 247 C ASP A 18 14.007 1.589 9.026 1.00 0.00 C ATOM 248 O ASP A 18 13.087 1.322 8.255 1.00 0.00 O ATOM 249 CB ASP A 18 15.695 -0.148 9.535 1.00 0.00 C ATOM 250 CG ASP A 18 16.262 -1.235 10.451 1.00 0.00 C ATOM 251 OD1 ASP A 18 16.137 -1.061 11.683 1.00 0.00 O ATOM 252 OD2 ASP A 18 16.809 -2.214 9.899 1.00 0.00 O ATOM 0 H ASP A 18 13.587 -1.331 10.097 1.00 0.00 H new ATOM 0 HA ASP A 18 14.711 1.065 11.017 1.00 0.00 H new ATOM 0 HB2 ASP A 18 15.443 -0.598 8.575 1.00 0.00 H new ATOM 0 HB3 ASP A 18 16.474 0.590 9.346 1.00 0.00 H new ATOM 257 N GLU A 19 14.675 2.734 9.030 1.00 0.00 N ATOM 258 CA GLU A 19 14.353 3.791 8.087 1.00 0.00 C ATOM 259 C GLU A 19 14.458 3.272 6.651 1.00 0.00 C ATOM 260 O GLU A 19 13.564 3.500 5.838 1.00 0.00 O ATOM 261 CB GLU A 19 15.256 5.008 8.298 1.00 0.00 C ATOM 262 CG GLU A 19 15.043 5.615 9.686 1.00 0.00 C ATOM 263 CD GLU A 19 16.368 6.093 10.284 1.00 0.00 C ATOM 264 OE1 GLU A 19 17.246 5.227 10.483 1.00 0.00 O ATOM 265 OE2 GLU A 19 16.471 7.315 10.529 1.00 0.00 O ATOM 0 H GLU A 19 15.437 2.952 9.671 1.00 0.00 H new ATOM 0 HA GLU A 19 13.325 4.108 8.264 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.300 4.716 8.181 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.048 5.757 7.534 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.348 6.452 9.618 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.588 4.875 10.345 1.00 0.00 H new ATOM 272 N ARG A 20 15.558 2.584 6.384 1.00 0.00 N ATOM 273 CA ARG A 20 15.792 2.031 5.061 1.00 0.00 C ATOM 274 C ARG A 20 14.562 1.255 4.585 1.00 0.00 C ATOM 275 O ARG A 20 14.298 1.177 3.386 1.00 0.00 O ATOM 276 CB ARG A 20 17.006 1.099 5.060 1.00 0.00 C ATOM 277 CG ARG A 20 18.276 1.854 5.458 1.00 0.00 C ATOM 278 CD ARG A 20 18.936 2.500 4.238 1.00 0.00 C ATOM 279 NE ARG A 20 20.059 1.660 3.767 1.00 0.00 N ATOM 280 CZ ARG A 20 20.889 2.006 2.773 1.00 0.00 C ATOM 281 NH1 ARG A 20 20.727 3.175 2.140 1.00 0.00 N ATOM 282 NH2 ARG A 20 21.882 1.181 2.412 1.00 0.00 N ATOM 0 H ARG A 20 16.297 2.397 7.061 1.00 0.00 H new ATOM 0 HA ARG A 20 15.986 2.863 4.384 1.00 0.00 H new ATOM 0 HB2 ARG A 20 16.837 0.274 5.752 1.00 0.00 H new ATOM 0 HB3 ARG A 20 17.133 0.662 4.069 1.00 0.00 H new ATOM 0 HG2 ARG A 20 18.032 2.621 6.193 1.00 0.00 H new ATOM 0 HG3 ARG A 20 18.977 1.168 5.934 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.203 2.623 3.440 1.00 0.00 H new ATOM 0 HD3 ARG A 20 19.298 3.496 4.495 1.00 0.00 H new ATOM 0 HE ARG A 20 20.211 0.762 4.227 1.00 0.00 H new ATOM 0 HH11 ARG A 20 19.971 3.803 2.414 1.00 0.00 H new ATOM 0 HH12 ARG A 20 21.359 3.437 1.384 1.00 0.00 H new ATOM 0 HH21 ARG A 20 22.006 0.290 2.894 1.00 0.00 H new ATOM 0 HH22 ARG A 20 22.514 1.444 1.656 1.00 0.00 H new ATOM 296 N LEU A 21 13.842 0.700 5.550 1.00 0.00 N ATOM 297 CA LEU A 21 12.647 -0.067 5.244 1.00 0.00 C ATOM 298 C LEU A 21 11.525 0.888 4.831 1.00 0.00 C ATOM 299 O LEU A 21 10.723 0.567 3.955 1.00 0.00 O ATOM 300 CB LEU A 21 12.279 -0.975 6.419 1.00 0.00 C ATOM 301 CG LEU A 21 11.477 -2.231 6.070 1.00 0.00 C ATOM 302 CD1 LEU A 21 12.211 -3.078 5.029 1.00 0.00 C ATOM 303 CD2 LEU A 21 11.139 -3.033 7.328 1.00 0.00 C ATOM 0 H LEU A 21 14.064 0.767 6.543 1.00 0.00 H new ATOM 0 HA LEU A 21 12.827 -0.732 4.400 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.199 -1.282 6.917 1.00 0.00 H new ATOM 0 HB3 LEU A 21 11.706 -0.390 7.139 1.00 0.00 H new ATOM 0 HG LEU A 21 10.532 -1.920 5.624 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.620 -3.964 4.799 1.00 0.00 H new ATOM 0 HD12 LEU A 21 12.357 -2.493 4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 21 13.180 -3.381 5.425 1.00 0.00 H new ATOM 0 HD21 LEU A 21 10.569 -3.920 7.052 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.061 -3.334 7.826 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.546 -2.417 8.004 1.00 0.00 H new ATOM 315 N LEU A 22 11.505 2.043 5.480 1.00 0.00 N ATOM 316 CA LEU A 22 10.495 3.047 5.190 1.00 0.00 C ATOM 317 C LEU A 22 10.649 3.516 3.742 1.00 0.00 C ATOM 318 O LEU A 22 9.739 3.349 2.932 1.00 0.00 O ATOM 319 CB LEU A 22 10.558 4.182 6.215 1.00 0.00 C ATOM 320 CG LEU A 22 9.766 3.965 7.506 1.00 0.00 C ATOM 321 CD1 LEU A 22 8.263 3.917 7.225 1.00 0.00 C ATOM 322 CD2 LEU A 22 10.251 2.715 8.243 1.00 0.00 C ATOM 0 H LEU A 22 12.172 2.306 6.206 1.00 0.00 H new ATOM 0 HA LEU A 22 9.496 2.621 5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.603 4.351 6.477 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.197 5.094 5.740 1.00 0.00 H new ATOM 0 HG LEU A 22 9.944 4.816 8.163 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.723 3.762 8.159 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.947 4.858 6.775 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.047 3.097 6.540 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.672 2.584 9.157 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.122 1.842 7.603 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.306 2.827 8.495 1.00 0.00 H new ATOM 334 N ASP A 23 11.808 4.095 3.461 1.00 0.00 N ATOM 335 CA ASP A 23 12.093 4.589 2.125 1.00 0.00 C ATOM 336 C ASP A 23 11.819 3.481 1.107 1.00 0.00 C ATOM 337 O ASP A 23 11.195 3.723 0.074 1.00 0.00 O ATOM 338 CB ASP A 23 13.560 5.002 1.992 1.00 0.00 C ATOM 339 CG ASP A 23 13.852 5.997 0.867 1.00 0.00 C ATOM 340 OD1 ASP A 23 13.083 6.976 0.761 1.00 0.00 O ATOM 341 OD2 ASP A 23 14.839 5.756 0.138 1.00 0.00 O ATOM 0 H ASP A 23 12.560 4.233 4.136 1.00 0.00 H new ATOM 0 HA ASP A 23 11.457 5.455 1.943 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.886 5.438 2.936 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.161 4.107 1.830 1.00 0.00 H new ATOM 346 N ALA A 24 12.298 2.290 1.433 1.00 0.00 N ATOM 347 CA ALA A 24 12.112 1.144 0.559 1.00 0.00 C ATOM 348 C ALA A 24 10.617 0.938 0.306 1.00 0.00 C ATOM 349 O ALA A 24 10.174 0.929 -0.842 1.00 0.00 O ATOM 350 CB ALA A 24 12.773 -0.087 1.184 1.00 0.00 C ATOM 0 H ALA A 24 12.815 2.093 2.290 1.00 0.00 H new ATOM 0 HA ALA A 24 12.589 1.316 -0.406 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.634 -0.947 0.529 1.00 0.00 H new ATOM 0 HB2 ALA A 24 13.839 0.100 1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 24 12.318 -0.292 2.153 1.00 0.00 H new ATOM 356 N ILE A 25 9.882 0.778 1.396 1.00 0.00 N ATOM 357 CA ILE A 25 8.446 0.573 1.306 1.00 0.00 C ATOM 358 C ILE A 25 7.797 1.807 0.676 1.00 0.00 C ATOM 359 O ILE A 25 6.703 1.722 0.121 1.00 0.00 O ATOM 360 CB ILE A 25 7.870 0.207 2.675 1.00 0.00 C ATOM 361 CG1 ILE A 25 8.413 -1.141 3.156 1.00 0.00 C ATOM 362 CG2 ILE A 25 6.341 0.233 2.652 1.00 0.00 C ATOM 363 CD1 ILE A 25 8.337 -1.251 4.680 1.00 0.00 C ATOM 0 H ILE A 25 10.253 0.786 2.346 1.00 0.00 H new ATOM 0 HA ILE A 25 8.222 -0.272 0.655 1.00 0.00 H new ATOM 0 HB ILE A 25 8.194 0.960 3.394 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.842 -1.950 2.701 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.447 -1.258 2.831 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.958 -0.031 3.638 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.998 1.233 2.385 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.976 -0.484 1.917 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.729 -2.218 4.995 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.929 -0.455 5.132 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.299 -1.158 5.000 1.00 0.00 H new ATOM 375 N CYS A 26 8.499 2.925 0.784 1.00 0.00 N ATOM 376 CA CYS A 26 8.005 4.175 0.232 1.00 0.00 C ATOM 377 C CYS A 26 8.185 4.134 -1.287 1.00 0.00 C ATOM 378 O CYS A 26 7.215 4.256 -2.034 1.00 0.00 O ATOM 379 CB CYS A 26 8.704 5.385 0.857 1.00 0.00 C ATOM 380 SG CYS A 26 7.816 6.921 0.409 1.00 0.00 S ATOM 0 H CYS A 26 9.406 2.992 1.246 1.00 0.00 H new ATOM 0 HA CYS A 26 6.947 4.287 0.469 1.00 0.00 H new ATOM 0 HB2 CYS A 26 8.736 5.277 1.941 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.736 5.438 0.511 1.00 0.00 H new ATOM 0 HG CYS A 26 8.416 7.942 0.946 1.00 0.00 H new ATOM 386 N GLU A 27 9.432 3.962 -1.698 1.00 0.00 N ATOM 387 CA GLU A 27 9.752 3.903 -3.115 1.00 0.00 C ATOM 388 C GLU A 27 8.860 2.877 -3.818 1.00 0.00 C ATOM 389 O GLU A 27 8.606 2.988 -5.016 1.00 0.00 O ATOM 390 CB GLU A 27 11.232 3.582 -3.330 1.00 0.00 C ATOM 391 CG GLU A 27 12.076 4.858 -3.325 1.00 0.00 C ATOM 392 CD GLU A 27 12.479 5.255 -4.747 1.00 0.00 C ATOM 393 OE1 GLU A 27 13.519 4.737 -5.208 1.00 0.00 O ATOM 394 OE2 GLU A 27 11.737 6.067 -5.341 1.00 0.00 O ATOM 0 H GLU A 27 10.234 3.861 -1.075 1.00 0.00 H new ATOM 0 HA GLU A 27 9.560 4.883 -3.552 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.579 2.909 -2.546 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.361 3.060 -4.278 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.513 5.669 -2.863 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.969 4.705 -2.719 1.00 0.00 H new ATOM 401 N ARG A 28 8.409 1.903 -3.042 1.00 0.00 N ATOM 402 CA ARG A 28 7.551 0.858 -3.575 1.00 0.00 C ATOM 403 C ARG A 28 6.160 1.418 -3.880 1.00 0.00 C ATOM 404 O ARG A 28 5.548 1.057 -4.884 1.00 0.00 O ATOM 405 CB ARG A 28 7.420 -0.304 -2.589 1.00 0.00 C ATOM 406 CG ARG A 28 8.794 -0.869 -2.222 1.00 0.00 C ATOM 407 CD ARG A 28 8.973 -2.282 -2.780 1.00 0.00 C ATOM 408 NE ARG A 28 10.237 -2.366 -3.546 1.00 0.00 N ATOM 409 CZ ARG A 28 11.431 -2.633 -2.999 1.00 0.00 C ATOM 410 NH1 ARG A 28 11.531 -2.841 -1.679 1.00 0.00 N ATOM 411 NH2 ARG A 28 12.524 -2.690 -3.772 1.00 0.00 N ATOM 0 H ARG A 28 8.621 1.815 -2.048 1.00 0.00 H new ATOM 0 HA ARG A 28 8.008 0.490 -4.493 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.910 0.035 -1.688 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.805 -1.090 -3.027 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.575 -0.218 -2.614 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.907 -0.885 -1.138 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.983 -3.005 -1.965 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.131 -2.538 -3.423 1.00 0.00 H new ATOM 0 HE ARG A 28 10.197 -2.211 -4.553 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.699 -2.796 -1.091 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.439 -3.044 -1.262 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.447 -2.530 -4.776 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.433 -2.893 -3.356 1.00 0.00 H new ATOM 425 N LEU A 29 5.701 2.291 -2.996 1.00 0.00 N ATOM 426 CA LEU A 29 4.394 2.904 -3.158 1.00 0.00 C ATOM 427 C LEU A 29 4.150 3.190 -4.641 1.00 0.00 C ATOM 428 O LEU A 29 4.937 3.885 -5.281 1.00 0.00 O ATOM 429 CB LEU A 29 4.268 4.140 -2.265 1.00 0.00 C ATOM 430 CG LEU A 29 4.475 3.910 -0.767 1.00 0.00 C ATOM 431 CD1 LEU A 29 4.819 5.218 -0.053 1.00 0.00 C ATOM 432 CD2 LEU A 29 3.259 3.220 -0.145 1.00 0.00 C ATOM 0 H LEU A 29 6.211 2.589 -2.165 1.00 0.00 H new ATOM 0 HA LEU A 29 3.610 2.221 -2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.992 4.882 -2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.278 4.571 -2.413 1.00 0.00 H new ATOM 0 HG LEU A 29 5.326 3.241 -0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.961 5.026 1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.736 5.631 -0.473 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.005 5.931 -0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.432 3.068 0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.376 3.844 -0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.101 2.256 -0.628 1.00 0.00 H new ATOM 444 N LYS A 30 3.056 2.638 -5.144 1.00 0.00 N ATOM 445 CA LYS A 30 2.698 2.824 -6.540 1.00 0.00 C ATOM 446 C LYS A 30 1.562 3.844 -6.639 1.00 0.00 C ATOM 447 O LYS A 30 0.734 3.946 -5.736 1.00 0.00 O ATOM 448 CB LYS A 30 2.375 1.479 -7.195 1.00 0.00 C ATOM 449 CG LYS A 30 3.636 0.836 -7.777 1.00 0.00 C ATOM 450 CD LYS A 30 3.322 0.091 -9.075 1.00 0.00 C ATOM 451 CE LYS A 30 4.599 -0.450 -9.719 1.00 0.00 C ATOM 452 NZ LYS A 30 4.308 -1.012 -11.058 1.00 0.00 N ATOM 0 H LYS A 30 2.406 2.062 -4.610 1.00 0.00 H new ATOM 0 HA LYS A 30 3.542 3.230 -7.098 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.928 0.810 -6.460 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.638 1.623 -7.985 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.386 1.604 -7.967 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.064 0.145 -7.051 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.637 -0.732 -8.870 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.816 0.761 -9.770 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.336 0.349 -9.806 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.036 -1.219 -9.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.186 -1.375 -11.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.621 -1.788 -10.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.912 -0.269 -11.668 1.00 0.00 H new ATOM 466 N PRO A 31 1.559 4.593 -7.775 1.00 0.00 N ATOM 467 CA PRO A 31 0.539 5.602 -8.003 1.00 0.00 C ATOM 468 C PRO A 31 -0.795 4.956 -8.385 1.00 0.00 C ATOM 469 O PRO A 31 -0.916 4.360 -9.454 1.00 0.00 O ATOM 470 CB PRO A 31 1.103 6.491 -9.099 1.00 0.00 C ATOM 471 CG PRO A 31 2.205 5.683 -9.765 1.00 0.00 C ATOM 472 CD PRO A 31 2.524 4.500 -8.866 1.00 0.00 C ATOM 0 HA PRO A 31 0.318 6.186 -7.109 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.330 6.764 -9.817 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.495 7.420 -8.685 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.885 5.339 -10.749 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.092 6.298 -9.915 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.425 3.557 -9.403 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.548 4.550 -8.495 1.00 0.00 H new ATOM 480 N CYS A 32 -1.761 5.096 -7.490 1.00 0.00 N ATOM 481 CA CYS A 32 -3.081 4.534 -7.719 1.00 0.00 C ATOM 482 C CYS A 32 -4.112 5.429 -7.028 1.00 0.00 C ATOM 483 O CYS A 32 -3.751 6.306 -6.245 1.00 0.00 O ATOM 484 CB CYS A 32 -3.170 3.084 -7.239 1.00 0.00 C ATOM 485 SG CYS A 32 -2.615 2.967 -5.499 1.00 0.00 S ATOM 0 H CYS A 32 -1.656 5.591 -6.604 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.286 4.506 -8.789 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.195 2.725 -7.327 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.553 2.445 -7.870 1.00 0.00 H new ATOM 0 HG CYS A 32 -1.357 3.284 -5.423 1.00 0.00 H new ATOM 491 N LEU A 33 -5.374 5.175 -7.342 1.00 0.00 N ATOM 492 CA LEU A 33 -6.459 5.947 -6.760 1.00 0.00 C ATOM 493 C LEU A 33 -7.646 5.022 -6.485 1.00 0.00 C ATOM 494 O LEU A 33 -7.706 3.911 -7.009 1.00 0.00 O ATOM 495 CB LEU A 33 -6.803 7.143 -7.651 1.00 0.00 C ATOM 496 CG LEU A 33 -7.399 8.359 -6.939 1.00 0.00 C ATOM 497 CD1 LEU A 33 -6.385 9.502 -6.866 1.00 0.00 C ATOM 498 CD2 LEU A 33 -8.708 8.795 -7.602 1.00 0.00 C ATOM 0 H LEU A 33 -5.669 4.446 -7.991 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.156 6.370 -5.802 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.897 7.458 -8.169 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.508 6.812 -8.414 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.637 8.073 -5.914 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.833 10.354 -6.355 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.504 9.172 -6.316 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.094 9.795 -7.875 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.111 9.661 -7.077 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.519 9.057 -8.643 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.428 7.977 -7.559 1.00 0.00 H new ATOM 510 N PHE A 34 -8.562 5.515 -5.664 1.00 0.00 N ATOM 511 CA PHE A 34 -9.744 4.747 -5.314 1.00 0.00 C ATOM 512 C PHE A 34 -11.020 5.533 -5.623 1.00 0.00 C ATOM 513 O PHE A 34 -11.298 6.548 -4.987 1.00 0.00 O ATOM 514 CB PHE A 34 -9.675 4.482 -3.808 1.00 0.00 C ATOM 515 CG PHE A 34 -8.385 3.794 -3.356 1.00 0.00 C ATOM 516 CD1 PHE A 34 -8.059 2.569 -3.849 1.00 0.00 C ATOM 517 CD2 PHE A 34 -7.565 4.408 -2.462 1.00 0.00 C ATOM 518 CE1 PHE A 34 -6.862 1.931 -3.429 1.00 0.00 C ATOM 519 CE2 PHE A 34 -6.368 3.770 -2.042 1.00 0.00 C ATOM 520 CZ PHE A 34 -6.042 2.545 -2.534 1.00 0.00 C ATOM 0 H PHE A 34 -8.509 6.437 -5.231 1.00 0.00 H new ATOM 0 HA PHE A 34 -9.771 3.822 -5.890 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -9.775 5.429 -3.278 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -10.525 3.864 -3.519 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.710 2.082 -4.560 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.824 5.381 -2.071 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.603 0.958 -3.820 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.717 4.258 -1.332 1.00 0.00 H new ATOM 0 HZ PHE A 34 -5.132 2.059 -2.214 1.00 0.00 H new ATOM 530 N THR A 35 -11.762 5.033 -6.600 1.00 0.00 N ATOM 531 CA THR A 35 -13.002 5.676 -7.002 1.00 0.00 C ATOM 532 C THR A 35 -14.126 5.323 -6.025 1.00 0.00 C ATOM 533 O THR A 35 -13.873 4.771 -4.956 1.00 0.00 O ATOM 534 CB THR A 35 -13.301 5.266 -8.446 1.00 0.00 C ATOM 535 OG1 THR A 35 -12.839 3.920 -8.527 1.00 0.00 O ATOM 536 CG2 THR A 35 -12.437 6.019 -9.459 1.00 0.00 C ATOM 0 H THR A 35 -11.529 4.190 -7.125 1.00 0.00 H new ATOM 0 HA THR A 35 -12.914 6.762 -6.969 1.00 0.00 H new ATOM 0 HB THR A 35 -14.354 5.445 -8.664 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.951 3.903 -8.941 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.689 5.691 -10.467 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.621 7.090 -9.369 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.385 5.814 -9.263 1.00 0.00 H new ATOM 544 N GLU A 36 -15.343 5.657 -6.428 1.00 0.00 N ATOM 545 CA GLU A 36 -16.507 5.383 -5.602 1.00 0.00 C ATOM 546 C GLU A 36 -16.804 3.882 -5.586 1.00 0.00 C ATOM 547 O GLU A 36 -16.609 3.196 -6.588 1.00 0.00 O ATOM 548 CB GLU A 36 -17.722 6.177 -6.085 1.00 0.00 C ATOM 549 CG GLU A 36 -18.456 5.432 -7.202 1.00 0.00 C ATOM 550 CD GLU A 36 -19.572 6.294 -7.795 1.00 0.00 C ATOM 551 OE1 GLU A 36 -20.532 6.575 -7.046 1.00 0.00 O ATOM 552 OE2 GLU A 36 -19.439 6.653 -8.985 1.00 0.00 O ATOM 0 H GLU A 36 -15.549 6.115 -7.316 1.00 0.00 H new ATOM 0 HA GLU A 36 -16.288 5.702 -4.583 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -18.402 6.351 -5.251 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -17.402 7.155 -6.445 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -17.750 5.156 -7.985 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -18.876 4.505 -6.811 1.00 0.00 H new ATOM 559 N LYS A 37 -17.272 3.417 -4.437 1.00 0.00 N ATOM 560 CA LYS A 37 -17.598 2.010 -4.277 1.00 0.00 C ATOM 561 C LYS A 37 -16.310 1.185 -4.311 1.00 0.00 C ATOM 562 O LYS A 37 -16.320 0.029 -4.731 1.00 0.00 O ATOM 563 CB LYS A 37 -18.633 1.578 -5.317 1.00 0.00 C ATOM 564 CG LYS A 37 -19.956 2.320 -5.116 1.00 0.00 C ATOM 565 CD LYS A 37 -21.133 1.494 -5.640 1.00 0.00 C ATOM 566 CE LYS A 37 -21.057 1.335 -7.159 1.00 0.00 C ATOM 567 NZ LYS A 37 -22.375 0.939 -7.705 1.00 0.00 N ATOM 0 H LYS A 37 -17.433 3.989 -3.608 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.063 1.835 -3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -18.251 1.774 -6.319 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.800 0.503 -5.244 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -20.100 2.534 -4.057 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -19.921 3.279 -5.633 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -21.132 0.512 -5.167 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -22.071 1.978 -5.368 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -20.735 2.272 -7.613 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.310 0.584 -7.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -22.306 0.835 -8.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -22.667 0.034 -7.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -23.079 1.670 -7.477 1.00 0.00 H new ATOM 581 N SER A 38 -15.232 1.811 -3.863 1.00 0.00 N ATOM 582 CA SER A 38 -13.938 1.150 -3.837 1.00 0.00 C ATOM 583 C SER A 38 -13.677 0.566 -2.447 1.00 0.00 C ATOM 584 O SER A 38 -13.595 1.303 -1.466 1.00 0.00 O ATOM 585 CB SER A 38 -12.818 2.115 -4.227 1.00 0.00 C ATOM 586 OG SER A 38 -12.874 2.470 -5.606 1.00 0.00 O ATOM 0 H SER A 38 -15.228 2.770 -3.515 1.00 0.00 H new ATOM 0 HA SER A 38 -13.953 0.341 -4.567 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.888 3.016 -3.618 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.853 1.657 -4.010 1.00 0.00 H new ATOM 0 HG SER A 38 -11.966 2.503 -5.972 1.00 0.00 H new ATOM 592 N TYR A 39 -13.552 -0.752 -2.408 1.00 0.00 N ATOM 593 CA TYR A 39 -13.302 -1.443 -1.155 1.00 0.00 C ATOM 594 C TYR A 39 -11.816 -1.774 -0.999 1.00 0.00 C ATOM 595 O TYR A 39 -11.312 -2.698 -1.635 1.00 0.00 O ATOM 596 CB TYR A 39 -14.098 -2.748 -1.225 1.00 0.00 C ATOM 597 CG TYR A 39 -15.522 -2.638 -0.677 1.00 0.00 C ATOM 598 CD1 TYR A 39 -16.393 -1.705 -1.201 1.00 0.00 C ATOM 599 CD2 TYR A 39 -15.935 -3.473 0.341 1.00 0.00 C ATOM 600 CE1 TYR A 39 -17.734 -1.602 -0.685 1.00 0.00 C ATOM 601 CE2 TYR A 39 -17.276 -3.370 0.858 1.00 0.00 C ATOM 602 CZ TYR A 39 -18.109 -2.439 0.319 1.00 0.00 C ATOM 603 OH TYR A 39 -19.375 -2.342 0.806 1.00 0.00 O ATOM 0 H TYR A 39 -13.619 -1.360 -3.224 1.00 0.00 H new ATOM 0 HA TYR A 39 -13.594 -0.821 -0.309 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -14.143 -3.079 -2.263 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -13.564 -3.518 -0.668 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -16.069 -1.052 -1.998 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -15.253 -4.204 0.750 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -18.426 -0.876 -1.086 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -17.612 -4.017 1.655 1.00 0.00 H new ATOM 0 HH TYR A 39 -19.503 -3.002 1.519 1.00 0.00 H new ATOM 613 N LEU A 40 -11.156 -1.001 -0.149 1.00 0.00 N ATOM 614 CA LEU A 40 -9.738 -1.200 0.099 1.00 0.00 C ATOM 615 C LEU A 40 -9.521 -2.588 0.705 1.00 0.00 C ATOM 616 O LEU A 40 -8.745 -3.384 0.180 1.00 0.00 O ATOM 617 CB LEU A 40 -9.179 -0.061 0.954 1.00 0.00 C ATOM 618 CG LEU A 40 -9.053 1.298 0.261 1.00 0.00 C ATOM 619 CD1 LEU A 40 -10.426 1.827 -0.158 1.00 0.00 C ATOM 620 CD2 LEU A 40 -8.299 2.295 1.143 1.00 0.00 C ATOM 0 H LEU A 40 -11.577 -0.235 0.377 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.179 -1.169 -0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.818 0.057 1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.194 -0.355 1.316 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.467 1.166 -0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.309 2.794 -0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.892 1.124 -0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.057 1.941 0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.223 3.252 0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.837 2.430 2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.299 1.914 1.350 1.00 0.00 H new ATOM 632 N VAL A 41 -10.221 -2.835 1.803 1.00 0.00 N ATOM 633 CA VAL A 41 -10.114 -4.113 2.487 1.00 0.00 C ATOM 634 C VAL A 41 -11.512 -4.593 2.882 1.00 0.00 C ATOM 635 O VAL A 41 -12.425 -3.786 3.052 1.00 0.00 O ATOM 636 CB VAL A 41 -9.165 -3.991 3.680 1.00 0.00 C ATOM 637 CG1 VAL A 41 -7.774 -3.538 3.230 1.00 0.00 C ATOM 638 CG2 VAL A 41 -9.734 -3.044 4.739 1.00 0.00 C ATOM 0 H VAL A 41 -10.864 -2.172 2.236 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.686 -4.866 1.825 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.066 -4.978 4.132 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.119 -3.459 4.097 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.363 -4.265 2.530 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.848 -2.566 2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.040 -2.975 5.576 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.877 -2.055 4.304 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -10.692 -3.426 5.092 1.00 0.00 H new ATOM 648 N ARG A 42 -11.636 -5.905 3.017 1.00 0.00 N ATOM 649 CA ARG A 42 -12.907 -6.503 3.389 1.00 0.00 C ATOM 650 C ARG A 42 -12.724 -7.440 4.585 1.00 0.00 C ATOM 651 O ARG A 42 -11.600 -7.812 4.920 1.00 0.00 O ATOM 652 CB ARG A 42 -13.510 -7.288 2.222 1.00 0.00 C ATOM 653 CG ARG A 42 -14.908 -6.772 1.878 1.00 0.00 C ATOM 654 CD ARG A 42 -15.974 -7.824 2.193 1.00 0.00 C ATOM 655 NE ARG A 42 -15.928 -8.908 1.186 1.00 0.00 N ATOM 656 CZ ARG A 42 -16.461 -10.124 1.367 1.00 0.00 C ATOM 657 NH1 ARG A 42 -17.085 -10.418 2.516 1.00 0.00 N ATOM 658 NH2 ARG A 42 -16.372 -11.045 0.398 1.00 0.00 N ATOM 0 H ARG A 42 -10.877 -6.571 2.875 1.00 0.00 H new ATOM 0 HA ARG A 42 -13.587 -5.695 3.658 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.862 -7.204 1.349 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.562 -8.346 2.479 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.112 -5.862 2.442 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.953 -6.509 0.821 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -15.809 -8.234 3.189 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -16.962 -7.363 2.198 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.462 -8.717 0.299 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -17.154 -9.716 3.253 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -17.491 -11.344 2.654 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -15.899 -10.820 -0.477 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.778 -11.971 0.535 1.00 0.00 H new ATOM 672 N GLU A 43 -13.845 -7.794 5.196 1.00 0.00 N ATOM 673 CA GLU A 43 -13.822 -8.680 6.347 1.00 0.00 C ATOM 674 C GLU A 43 -14.052 -10.127 5.907 1.00 0.00 C ATOM 675 O GLU A 43 -15.189 -10.534 5.670 1.00 0.00 O ATOM 676 CB GLU A 43 -14.857 -8.252 7.389 1.00 0.00 C ATOM 677 CG GLU A 43 -14.176 -7.780 8.676 1.00 0.00 C ATOM 678 CD GLU A 43 -14.627 -8.618 9.874 1.00 0.00 C ATOM 679 OE1 GLU A 43 -14.495 -9.858 9.781 1.00 0.00 O ATOM 680 OE2 GLU A 43 -15.094 -8.001 10.855 1.00 0.00 O ATOM 0 H GLU A 43 -14.775 -7.483 4.915 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.839 -8.614 6.812 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -15.475 -7.450 6.985 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -15.522 -9.087 7.610 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.094 -7.850 8.566 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.412 -6.730 8.852 1.00 0.00 H new ATOM 687 N GLY A 44 -12.956 -10.865 5.812 1.00 0.00 N ATOM 688 CA GLY A 44 -13.025 -12.259 5.405 1.00 0.00 C ATOM 689 C GLY A 44 -12.174 -12.508 4.158 1.00 0.00 C ATOM 690 O GLY A 44 -11.650 -13.605 3.969 1.00 0.00 O ATOM 0 H GLY A 44 -12.015 -10.524 6.010 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.680 -12.897 6.219 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.061 -12.532 5.203 1.00 0.00 H new ATOM 694 N ASP A 45 -12.064 -11.472 3.339 1.00 0.00 N ATOM 695 CA ASP A 45 -11.286 -11.565 2.115 1.00 0.00 C ATOM 696 C ASP A 45 -9.805 -11.364 2.441 1.00 0.00 C ATOM 697 O ASP A 45 -9.466 -10.737 3.443 1.00 0.00 O ATOM 698 CB ASP A 45 -11.702 -10.485 1.115 1.00 0.00 C ATOM 699 CG ASP A 45 -11.335 -9.055 1.518 1.00 0.00 C ATOM 700 OD1 ASP A 45 -11.399 -8.774 2.734 1.00 0.00 O ATOM 701 OD2 ASP A 45 -10.997 -8.276 0.601 1.00 0.00 O ATOM 0 H ASP A 45 -12.501 -10.564 3.499 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.461 -12.548 1.677 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.240 -10.705 0.152 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -12.781 -10.540 0.971 1.00 0.00 H new ATOM 706 N PRO A 46 -8.940 -11.922 1.552 1.00 0.00 N ATOM 707 CA PRO A 46 -7.503 -11.810 1.735 1.00 0.00 C ATOM 708 C PRO A 46 -7.013 -10.404 1.382 1.00 0.00 C ATOM 709 O PRO A 46 -7.780 -9.584 0.878 1.00 0.00 O ATOM 710 CB PRO A 46 -6.908 -12.888 0.845 1.00 0.00 C ATOM 711 CG PRO A 46 -7.996 -13.253 -0.152 1.00 0.00 C ATOM 712 CD PRO A 46 -9.306 -12.672 0.354 1.00 0.00 C ATOM 0 HA PRO A 46 -7.198 -11.955 2.771 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.016 -12.525 0.334 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.608 -13.757 1.431 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.758 -12.856 -1.139 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.073 -14.336 -0.254 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.767 -12.025 -0.393 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -10.026 -13.458 0.583 1.00 0.00 H new ATOM 720 N VAL A 47 -5.739 -10.169 1.659 1.00 0.00 N ATOM 721 CA VAL A 47 -5.138 -8.877 1.376 1.00 0.00 C ATOM 722 C VAL A 47 -3.977 -9.062 0.398 1.00 0.00 C ATOM 723 O VAL A 47 -2.889 -9.479 0.793 1.00 0.00 O ATOM 724 CB VAL A 47 -4.718 -8.198 2.682 1.00 0.00 C ATOM 725 CG1 VAL A 47 -4.251 -6.763 2.428 1.00 0.00 C ATOM 726 CG2 VAL A 47 -5.853 -8.232 3.707 1.00 0.00 C ATOM 0 H VAL A 47 -5.106 -10.852 2.076 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.861 -8.216 0.899 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.877 -8.756 3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.958 -6.303 3.372 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.398 -6.773 1.749 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.063 -6.190 1.982 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.528 -7.743 4.626 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.722 -7.710 3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.119 -9.267 3.921 1.00 0.00 H new ATOM 736 N ASN A 48 -4.247 -8.744 -0.859 1.00 0.00 N ATOM 737 CA ASN A 48 -3.237 -8.870 -1.896 1.00 0.00 C ATOM 738 C ASN A 48 -2.208 -7.749 -1.740 1.00 0.00 C ATOM 739 O ASN A 48 -1.004 -7.995 -1.786 1.00 0.00 O ATOM 740 CB ASN A 48 -3.860 -8.750 -3.289 1.00 0.00 C ATOM 741 CG ASN A 48 -3.317 -9.828 -4.228 1.00 0.00 C ATOM 742 OD1 ASN A 48 -2.139 -9.877 -4.543 1.00 0.00 O ATOM 743 ND2 ASN A 48 -4.237 -10.686 -4.657 1.00 0.00 N ATOM 0 H ASN A 48 -5.151 -8.399 -1.183 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.769 -9.849 -1.793 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.944 -8.839 -3.215 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.649 -7.763 -3.702 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.974 -11.442 -5.289 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -5.206 -10.588 -4.354 1.00 0.00 H new ATOM 750 N GLU A 49 -2.720 -6.540 -1.559 1.00 0.00 N ATOM 751 CA GLU A 49 -1.861 -5.380 -1.396 1.00 0.00 C ATOM 752 C GLU A 49 -2.392 -4.479 -0.279 1.00 0.00 C ATOM 753 O GLU A 49 -3.590 -4.469 -0.002 1.00 0.00 O ATOM 754 CB GLU A 49 -1.730 -4.606 -2.709 1.00 0.00 C ATOM 755 CG GLU A 49 -3.075 -4.012 -3.133 1.00 0.00 C ATOM 756 CD GLU A 49 -3.904 -5.034 -3.913 1.00 0.00 C ATOM 757 OE1 GLU A 49 -3.546 -5.279 -5.085 1.00 0.00 O ATOM 758 OE2 GLU A 49 -4.877 -5.547 -3.319 1.00 0.00 O ATOM 0 H GLU A 49 -3.719 -6.339 -1.522 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.866 -5.726 -1.115 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.997 -3.808 -2.593 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.359 -5.269 -3.490 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.627 -3.687 -2.251 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.908 -3.128 -3.748 1.00 0.00 H new ATOM 765 N MET A 50 -1.474 -3.744 0.331 1.00 0.00 N ATOM 766 CA MET A 50 -1.835 -2.842 1.411 1.00 0.00 C ATOM 767 C MET A 50 -1.997 -1.409 0.899 1.00 0.00 C ATOM 768 O MET A 50 -1.288 -0.990 -0.015 1.00 0.00 O ATOM 769 CB MET A 50 -0.751 -2.878 2.491 1.00 0.00 C ATOM 770 CG MET A 50 -1.137 -2.004 3.686 1.00 0.00 C ATOM 771 SD MET A 50 -0.273 -2.552 5.148 1.00 0.00 S ATOM 772 CE MET A 50 -0.201 -1.018 6.058 1.00 0.00 C ATOM 0 H MET A 50 -0.481 -3.755 0.098 1.00 0.00 H new ATOM 0 HA MET A 50 -2.788 -3.169 1.828 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.597 -3.905 2.822 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.195 -2.532 2.074 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.893 -0.962 3.479 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.213 -2.053 3.850 1.00 0.00 H new ATOM 0 HE1 MET A 50 0.703 -0.998 6.667 1.00 0.00 H new ATOM 0 HE2 MET A 50 -0.187 -0.181 5.360 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.075 -0.937 6.704 1.00 0.00 H new ATOM 782 N LEU A 51 -2.933 -0.698 1.509 1.00 0.00 N ATOM 783 CA LEU A 51 -3.197 0.678 1.126 1.00 0.00 C ATOM 784 C LEU A 51 -2.774 1.610 2.264 1.00 0.00 C ATOM 785 O LEU A 51 -3.146 1.396 3.417 1.00 0.00 O ATOM 786 CB LEU A 51 -4.658 0.846 0.704 1.00 0.00 C ATOM 787 CG LEU A 51 -5.073 0.122 -0.578 1.00 0.00 C ATOM 788 CD1 LEU A 51 -3.923 0.089 -1.586 1.00 0.00 C ATOM 789 CD2 LEU A 51 -5.605 -1.279 -0.268 1.00 0.00 C ATOM 0 H LEU A 51 -3.519 -1.049 2.267 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.604 0.951 0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.293 0.495 1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.859 1.910 0.578 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.888 0.681 -1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.245 -0.431 -2.488 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.632 1.108 -1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.072 -0.434 -1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.893 -1.772 -1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.828 -1.862 0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.473 -1.202 0.387 1.00 0.00 H new ATOM 801 N PHE A 52 -2.002 2.624 1.900 1.00 0.00 N ATOM 802 CA PHE A 52 -1.525 3.589 2.876 1.00 0.00 C ATOM 803 C PHE A 52 -2.171 4.958 2.654 1.00 0.00 C ATOM 804 O PHE A 52 -1.766 5.702 1.762 1.00 0.00 O ATOM 805 CB PHE A 52 -0.013 3.713 2.679 1.00 0.00 C ATOM 806 CG PHE A 52 0.770 2.453 3.055 1.00 0.00 C ATOM 807 CD1 PHE A 52 0.647 1.327 2.303 1.00 0.00 C ATOM 808 CD2 PHE A 52 1.588 2.460 4.142 1.00 0.00 C ATOM 809 CE1 PHE A 52 1.373 0.158 2.652 1.00 0.00 C ATOM 810 CE2 PHE A 52 2.314 1.291 4.490 1.00 0.00 C ATOM 811 CZ PHE A 52 2.191 0.164 3.738 1.00 0.00 C ATOM 0 H PHE A 52 -1.695 2.798 0.943 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.778 3.257 3.883 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.188 3.955 1.636 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.353 4.548 3.276 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.003 1.322 1.440 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.685 3.354 4.740 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.275 -0.736 2.055 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.964 1.296 5.352 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.743 -0.726 4.004 1.00 0.00 H new ATOM 821 N ILE A 53 -3.164 5.249 3.481 1.00 0.00 N ATOM 822 CA ILE A 53 -3.870 6.516 3.387 1.00 0.00 C ATOM 823 C ILE A 53 -2.863 7.664 3.481 1.00 0.00 C ATOM 824 O ILE A 53 -2.094 7.742 4.438 1.00 0.00 O ATOM 825 CB ILE A 53 -4.985 6.587 4.432 1.00 0.00 C ATOM 826 CG1 ILE A 53 -6.091 5.576 4.124 1.00 0.00 C ATOM 827 CG2 ILE A 53 -5.528 8.012 4.557 1.00 0.00 C ATOM 828 CD1 ILE A 53 -6.944 6.040 2.942 1.00 0.00 C ATOM 0 H ILE A 53 -3.497 4.629 4.220 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.366 6.606 2.420 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.564 6.317 5.400 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.649 4.605 3.899 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.722 5.443 5.003 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.319 8.035 5.306 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.723 8.683 4.858 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.929 8.334 3.596 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.723 5.303 2.744 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -7.404 6.999 3.180 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.314 6.148 2.059 1.00 0.00 H new ATOM 840 N ILE A 54 -2.901 8.526 2.476 1.00 0.00 N ATOM 841 CA ILE A 54 -2.001 9.666 2.434 1.00 0.00 C ATOM 842 C ILE A 54 -2.752 10.919 2.890 1.00 0.00 C ATOM 843 O ILE A 54 -2.231 11.706 3.679 1.00 0.00 O ATOM 844 CB ILE A 54 -1.369 9.799 1.047 1.00 0.00 C ATOM 845 CG1 ILE A 54 -0.734 8.479 0.606 1.00 0.00 C ATOM 846 CG2 ILE A 54 -0.370 10.957 1.009 1.00 0.00 C ATOM 847 CD1 ILE A 54 0.588 8.235 1.336 1.00 0.00 C ATOM 0 H ILE A 54 -3.541 8.458 1.685 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.170 9.522 3.125 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.158 10.031 0.332 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.421 7.656 0.806 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.561 8.496 -0.470 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.065 11.030 0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.883 11.888 1.250 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.421 10.779 1.738 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.018 7.290 1.004 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.281 9.047 1.115 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.408 8.194 2.410 1.00 0.00 H new ATOM 859 N ARG A 55 -3.963 11.065 2.374 1.00 0.00 N ATOM 860 CA ARG A 55 -4.790 12.209 2.719 1.00 0.00 C ATOM 861 C ARG A 55 -6.159 12.097 2.045 1.00 0.00 C ATOM 862 O ARG A 55 -6.309 12.439 0.873 1.00 0.00 O ATOM 863 CB ARG A 55 -4.125 13.519 2.291 1.00 0.00 C ATOM 864 CG ARG A 55 -3.962 14.466 3.481 1.00 0.00 C ATOM 865 CD ARG A 55 -4.044 15.927 3.035 1.00 0.00 C ATOM 866 NE ARG A 55 -3.475 16.808 4.080 1.00 0.00 N ATOM 867 CZ ARG A 55 -3.488 18.147 4.022 1.00 0.00 C ATOM 868 NH1 ARG A 55 -4.041 18.767 2.971 1.00 0.00 N ATOM 869 NH2 ARG A 55 -2.949 18.865 5.016 1.00 0.00 N ATOM 0 H ARG A 55 -4.392 10.410 1.720 1.00 0.00 H new ATOM 0 HA ARG A 55 -4.913 12.214 3.802 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.149 13.309 1.852 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.725 14.000 1.519 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.737 14.264 4.220 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -3.003 14.284 3.967 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.501 16.061 2.099 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -5.082 16.200 2.843 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.046 16.369 4.895 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.452 18.220 2.215 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.051 19.786 2.927 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.529 18.393 5.817 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.959 19.884 4.972 1.00 0.00 H new ATOM 883 N GLY A 56 -7.124 11.615 2.815 1.00 0.00 N ATOM 884 CA GLY A 56 -8.476 11.453 2.307 1.00 0.00 C ATOM 885 C GLY A 56 -9.441 11.069 3.430 1.00 0.00 C ATOM 886 O GLY A 56 -9.248 11.460 4.581 1.00 0.00 O ATOM 0 H GLY A 56 -6.996 11.332 3.786 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.806 12.381 1.840 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.488 10.685 1.534 1.00 0.00 H new ATOM 890 N ARG A 57 -10.460 10.307 3.057 1.00 0.00 N ATOM 891 CA ARG A 57 -11.455 9.866 4.019 1.00 0.00 C ATOM 892 C ARG A 57 -12.032 8.511 3.602 1.00 0.00 C ATOM 893 O ARG A 57 -11.949 8.130 2.435 1.00 0.00 O ATOM 894 CB ARG A 57 -12.593 10.882 4.140 1.00 0.00 C ATOM 895 CG ARG A 57 -12.270 11.945 5.191 1.00 0.00 C ATOM 896 CD ARG A 57 -13.259 11.883 6.356 1.00 0.00 C ATOM 897 NE ARG A 57 -13.962 13.178 6.494 1.00 0.00 N ATOM 898 CZ ARG A 57 -13.534 14.186 7.265 1.00 0.00 C ATOM 899 NH1 ARG A 57 -12.405 14.056 7.974 1.00 0.00 N ATOM 900 NH2 ARG A 57 -14.237 15.326 7.328 1.00 0.00 N ATOM 0 H ARG A 57 -10.617 9.984 2.102 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.962 9.773 4.987 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -12.763 11.360 3.175 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -13.516 10.369 4.409 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.256 11.798 5.562 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.302 12.934 4.734 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.981 11.084 6.188 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.731 11.647 7.280 1.00 0.00 H new ATOM 0 HE ARG A 57 -14.826 13.311 5.969 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.870 13.189 7.927 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.080 14.824 8.561 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -15.097 15.425 6.789 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.912 16.094 7.915 1.00 0.00 H new ATOM 914 N LEU A 58 -12.604 7.821 4.578 1.00 0.00 N ATOM 915 CA LEU A 58 -13.194 6.518 4.327 1.00 0.00 C ATOM 916 C LEU A 58 -14.140 6.161 5.475 1.00 0.00 C ATOM 917 O LEU A 58 -14.190 6.864 6.483 1.00 0.00 O ATOM 918 CB LEU A 58 -12.103 5.474 4.082 1.00 0.00 C ATOM 919 CG LEU A 58 -11.456 5.491 2.696 1.00 0.00 C ATOM 920 CD1 LEU A 58 -10.151 6.290 2.710 1.00 0.00 C ATOM 921 CD2 LEU A 58 -11.252 4.070 2.168 1.00 0.00 C ATOM 0 H LEU A 58 -12.671 8.140 5.544 1.00 0.00 H new ATOM 0 HA LEU A 58 -13.792 6.540 3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.321 5.614 4.828 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.530 4.485 4.249 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.135 5.995 2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.711 6.286 1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.356 7.317 3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.454 5.837 3.415 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -10.791 4.111 1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.604 3.518 2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -12.216 3.566 2.097 1.00 0.00 H new ATOM 933 N GLU A 59 -14.867 5.070 5.283 1.00 0.00 N ATOM 934 CA GLU A 59 -15.809 4.612 6.291 1.00 0.00 C ATOM 935 C GLU A 59 -15.426 3.213 6.778 1.00 0.00 C ATOM 936 O GLU A 59 -15.254 2.297 5.975 1.00 0.00 O ATOM 937 CB GLU A 59 -17.240 4.632 5.752 1.00 0.00 C ATOM 938 CG GLU A 59 -17.589 3.306 5.071 1.00 0.00 C ATOM 939 CD GLU A 59 -19.043 3.300 4.595 1.00 0.00 C ATOM 940 OE1 GLU A 59 -19.804 4.163 5.083 1.00 0.00 O ATOM 941 OE2 GLU A 59 -19.360 2.432 3.753 1.00 0.00 O ATOM 0 H GLU A 59 -14.823 4.490 4.445 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.765 5.295 7.139 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -17.937 4.820 6.568 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -17.353 5.451 5.041 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -16.924 3.143 4.223 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -17.427 2.482 5.766 1.00 0.00 H new ATOM 948 N SER A 60 -15.302 3.092 8.092 1.00 0.00 N ATOM 949 CA SER A 60 -14.943 1.821 8.696 1.00 0.00 C ATOM 950 C SER A 60 -16.188 1.144 9.272 1.00 0.00 C ATOM 951 O SER A 60 -16.923 1.749 10.051 1.00 0.00 O ATOM 952 CB SER A 60 -13.888 2.008 9.788 1.00 0.00 C ATOM 953 OG SER A 60 -13.767 0.856 10.617 1.00 0.00 O ATOM 0 H SER A 60 -15.444 3.854 8.755 1.00 0.00 H new ATOM 0 HA SER A 60 -14.516 1.184 7.921 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.924 2.226 9.327 1.00 0.00 H new ATOM 0 HB3 SER A 60 -14.150 2.870 10.401 1.00 0.00 H new ATOM 0 HG SER A 60 -14.307 0.977 11.426 1.00 0.00 H new ATOM 959 N VAL A 61 -16.387 -0.101 8.866 1.00 0.00 N ATOM 960 CA VAL A 61 -17.531 -0.867 9.332 1.00 0.00 C ATOM 961 C VAL A 61 -17.067 -2.261 9.757 1.00 0.00 C ATOM 962 O VAL A 61 -16.060 -2.762 9.260 1.00 0.00 O ATOM 963 CB VAL A 61 -18.614 -0.900 8.252 1.00 0.00 C ATOM 964 CG1 VAL A 61 -19.505 -2.134 8.406 1.00 0.00 C ATOM 965 CG2 VAL A 61 -19.446 0.384 8.270 1.00 0.00 C ATOM 0 H VAL A 61 -15.775 -0.599 8.219 1.00 0.00 H new ATOM 0 HA VAL A 61 -17.978 -0.393 10.206 1.00 0.00 H new ATOM 0 HB VAL A 61 -18.119 -0.964 7.283 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -20.266 -2.133 7.626 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -18.897 -3.035 8.319 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -19.987 -2.115 9.383 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -20.208 0.334 7.493 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -19.926 0.493 9.243 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -18.797 1.241 8.088 1.00 0.00 H new ATOM 1126 N ARG A 73 -20.510 1.240 12.880 1.00 0.00 N ATOM 1127 CA ARG A 73 -19.964 2.092 11.837 1.00 0.00 C ATOM 1128 C ARG A 73 -18.956 3.078 12.431 1.00 0.00 C ATOM 1129 O ARG A 73 -19.028 3.407 13.615 1.00 0.00 O ATOM 1130 CB ARG A 73 -21.071 2.871 11.125 1.00 0.00 C ATOM 1131 CG ARG A 73 -21.865 1.962 10.186 1.00 0.00 C ATOM 1132 CD ARG A 73 -22.888 1.130 10.963 1.00 0.00 C ATOM 1133 NE ARG A 73 -24.191 1.147 10.262 1.00 0.00 N ATOM 1134 CZ ARG A 73 -24.385 0.671 9.024 1.00 0.00 C ATOM 1135 NH1 ARG A 73 -23.360 0.140 8.343 1.00 0.00 N ATOM 1136 NH2 ARG A 73 -25.602 0.728 8.467 1.00 0.00 N ATOM 0 HA ARG A 73 -19.465 1.449 11.112 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -21.742 3.313 11.862 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -20.635 3.693 10.558 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -22.376 2.566 9.436 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -21.183 1.300 9.652 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -22.533 0.104 11.064 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -23.003 1.528 11.971 1.00 0.00 H new ATOM 0 HE ARG A 73 -24.992 1.546 10.752 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -22.433 0.098 8.767 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -23.507 -0.222 7.401 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -26.381 1.134 8.985 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -25.749 0.366 7.525 1.00 0.00 H new ATOM 1150 N SER A 74 -18.040 3.523 11.583 1.00 0.00 N ATOM 1151 CA SER A 74 -17.020 4.465 12.010 1.00 0.00 C ATOM 1152 C SER A 74 -16.405 5.157 10.792 1.00 0.00 C ATOM 1153 O SER A 74 -16.652 4.757 9.655 1.00 0.00 O ATOM 1154 CB SER A 74 -15.932 3.766 12.828 1.00 0.00 C ATOM 1155 OG SER A 74 -15.552 2.518 12.254 1.00 0.00 O ATOM 0 H SER A 74 -17.983 3.248 10.602 1.00 0.00 H new ATOM 0 HA SER A 74 -17.491 5.214 12.647 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.058 4.414 12.898 1.00 0.00 H new ATOM 0 HB3 SER A 74 -16.291 3.603 13.844 1.00 0.00 H new ATOM 0 HG SER A 74 -16.004 2.403 11.392 1.00 0.00 H new ATOM 1161 N LEU A 75 -15.616 6.184 11.071 1.00 0.00 N ATOM 1162 CA LEU A 75 -14.964 6.936 10.012 1.00 0.00 C ATOM 1163 C LEU A 75 -13.459 6.991 10.283 1.00 0.00 C ATOM 1164 O LEU A 75 -13.027 6.883 11.430 1.00 0.00 O ATOM 1165 CB LEU A 75 -15.611 8.314 9.856 1.00 0.00 C ATOM 1166 CG LEU A 75 -15.465 8.972 8.483 1.00 0.00 C ATOM 1167 CD1 LEU A 75 -16.498 8.420 7.498 1.00 0.00 C ATOM 1168 CD2 LEU A 75 -15.537 10.496 8.595 1.00 0.00 C ATOM 0 H LEU A 75 -15.413 6.513 12.015 1.00 0.00 H new ATOM 0 HA LEU A 75 -15.098 6.436 9.053 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -16.673 8.222 10.082 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.183 8.981 10.604 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.479 8.725 8.089 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -16.373 8.904 6.530 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -16.357 7.345 7.387 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.502 8.617 7.875 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.430 10.939 7.605 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -16.498 10.785 9.020 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.734 10.852 9.240 1.00 0.00 H new ATOM 1180 N LEU A 76 -12.702 7.159 9.209 1.00 0.00 N ATOM 1181 CA LEU A 76 -11.255 7.229 9.317 1.00 0.00 C ATOM 1182 C LEU A 76 -10.769 8.563 8.747 1.00 0.00 C ATOM 1183 O LEU A 76 -11.454 9.180 7.932 1.00 0.00 O ATOM 1184 CB LEU A 76 -10.608 6.008 8.660 1.00 0.00 C ATOM 1185 CG LEU A 76 -11.243 4.655 8.989 1.00 0.00 C ATOM 1186 CD1 LEU A 76 -10.767 3.576 8.014 1.00 0.00 C ATOM 1187 CD2 LEU A 76 -10.983 4.267 10.446 1.00 0.00 C ATOM 0 H LEU A 76 -13.064 7.249 8.260 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.950 7.198 10.363 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.633 6.146 7.579 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.559 5.976 8.953 1.00 0.00 H new ATOM 0 HG LEU A 76 -12.323 4.745 8.868 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.233 2.624 8.269 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.046 3.855 6.998 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.683 3.479 8.079 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -11.445 3.302 10.653 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.909 4.200 10.619 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -11.410 5.023 11.105 1.00 0.00 H new ATOM 1199 N LYS A 77 -9.592 8.970 9.197 1.00 0.00 N ATOM 1200 CA LYS A 77 -9.007 10.220 8.742 1.00 0.00 C ATOM 1201 C LYS A 77 -7.517 10.009 8.464 1.00 0.00 C ATOM 1202 O LYS A 77 -7.003 8.903 8.622 1.00 0.00 O ATOM 1203 CB LYS A 77 -9.294 11.341 9.742 1.00 0.00 C ATOM 1204 CG LYS A 77 -8.349 11.260 10.943 1.00 0.00 C ATOM 1205 CD LYS A 77 -8.474 12.504 11.825 1.00 0.00 C ATOM 1206 CE LYS A 77 -7.167 12.782 12.569 1.00 0.00 C ATOM 1207 NZ LYS A 77 -7.294 14.000 13.401 1.00 0.00 N ATOM 0 H LYS A 77 -9.027 8.456 9.873 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.465 10.536 7.805 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -9.182 12.308 9.252 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.327 11.274 10.083 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.576 10.370 11.530 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.321 11.159 10.595 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.737 13.365 11.210 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.283 12.366 12.543 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.911 11.929 13.198 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.354 12.906 11.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -6.398 14.175 13.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -7.517 14.814 12.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.057 13.868 14.096 1.00 0.00 H new ATOM 1221 N GLU A 78 -6.865 11.088 8.056 1.00 0.00 N ATOM 1222 CA GLU A 78 -5.445 11.036 7.755 1.00 0.00 C ATOM 1223 C GLU A 78 -4.670 10.476 8.950 1.00 0.00 C ATOM 1224 O GLU A 78 -4.780 10.989 10.062 1.00 0.00 O ATOM 1225 CB GLU A 78 -4.917 12.416 7.358 1.00 0.00 C ATOM 1226 CG GLU A 78 -5.484 13.504 8.272 1.00 0.00 C ATOM 1227 CD GLU A 78 -4.447 14.599 8.528 1.00 0.00 C ATOM 1228 OE1 GLU A 78 -3.376 14.251 9.071 1.00 0.00 O ATOM 1229 OE2 GLU A 78 -4.749 15.760 8.176 1.00 0.00 O ATOM 0 H GLU A 78 -7.295 12.004 7.927 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.298 10.369 6.905 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.828 12.422 7.412 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.186 12.628 6.323 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.373 13.940 7.817 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.794 13.063 9.219 1.00 0.00 H new ATOM 1236 N GLY A 79 -3.903 9.430 8.679 1.00 0.00 N ATOM 1237 CA GLY A 79 -3.109 8.795 9.717 1.00 0.00 C ATOM 1238 C GLY A 79 -3.509 7.328 9.892 1.00 0.00 C ATOM 1239 O GLY A 79 -2.680 6.494 10.255 1.00 0.00 O ATOM 0 H GLY A 79 -3.815 9.006 7.755 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.051 8.859 9.462 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.242 9.327 10.659 1.00 0.00 H new ATOM 1243 N ASP A 80 -4.778 7.057 9.626 1.00 0.00 N ATOM 1244 CA ASP A 80 -5.297 5.706 9.749 1.00 0.00 C ATOM 1245 C ASP A 80 -4.928 4.906 8.498 1.00 0.00 C ATOM 1246 O ASP A 80 -4.936 5.441 7.390 1.00 0.00 O ATOM 1247 CB ASP A 80 -6.822 5.711 9.874 1.00 0.00 C ATOM 1248 CG ASP A 80 -7.374 4.957 11.086 1.00 0.00 C ATOM 1249 OD1 ASP A 80 -7.459 3.714 10.990 1.00 0.00 O ATOM 1250 OD2 ASP A 80 -7.698 5.642 12.080 1.00 0.00 O ATOM 0 H ASP A 80 -5.463 7.751 9.325 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.863 5.259 10.643 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.164 6.745 9.921 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.247 5.276 8.970 1.00 0.00 H new ATOM 1255 N PHE A 81 -4.612 3.638 8.716 1.00 0.00 N ATOM 1256 CA PHE A 81 -4.241 2.760 7.620 1.00 0.00 C ATOM 1257 C PHE A 81 -5.254 1.625 7.460 1.00 0.00 C ATOM 1258 O PHE A 81 -6.169 1.486 8.270 1.00 0.00 O ATOM 1259 CB PHE A 81 -2.876 2.163 7.969 1.00 0.00 C ATOM 1260 CG PHE A 81 -2.681 1.883 9.460 1.00 0.00 C ATOM 1261 CD1 PHE A 81 -2.191 2.854 10.276 1.00 0.00 C ATOM 1262 CD2 PHE A 81 -2.998 0.662 9.970 1.00 0.00 C ATOM 1263 CE1 PHE A 81 -2.011 2.594 11.661 1.00 0.00 C ATOM 1264 CE2 PHE A 81 -2.818 0.402 11.354 1.00 0.00 C ATOM 1265 CZ PHE A 81 -2.328 1.373 12.170 1.00 0.00 C ATOM 0 H PHE A 81 -4.605 3.198 9.636 1.00 0.00 H new ATOM 0 HA PHE A 81 -4.214 3.321 6.686 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.746 1.233 7.415 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.096 2.846 7.633 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -1.939 3.823 9.871 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.387 -0.110 9.322 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.623 3.365 12.309 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.070 -0.567 11.759 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.190 1.175 13.223 1.00 0.00 H new ATOM 1275 N CYS A 82 -5.056 0.842 6.409 1.00 0.00 N ATOM 1276 CA CYS A 82 -5.942 -0.276 6.132 1.00 0.00 C ATOM 1277 C CYS A 82 -5.083 -1.495 5.788 1.00 0.00 C ATOM 1278 O CYS A 82 -3.906 -1.356 5.457 1.00 0.00 O ATOM 1279 CB CYS A 82 -6.937 0.053 5.017 1.00 0.00 C ATOM 1280 SG CYS A 82 -7.949 1.502 5.491 1.00 0.00 S ATOM 0 H CYS A 82 -4.295 0.960 5.740 1.00 0.00 H new ATOM 0 HA CYS A 82 -6.544 -0.493 7.014 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -6.402 0.260 4.090 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -7.582 -0.805 4.828 1.00 0.00 H new ATOM 0 HG CYS A 82 -8.789 1.775 4.537 1.00 0.00 H new ATOM 1286 N GLY A 83 -5.705 -2.661 5.878 1.00 0.00 N ATOM 1287 CA GLY A 83 -5.012 -3.903 5.580 1.00 0.00 C ATOM 1288 C GLY A 83 -3.578 -3.873 6.113 1.00 0.00 C ATOM 1289 O GLY A 83 -2.626 -4.057 5.356 1.00 0.00 O ATOM 0 H GLY A 83 -6.681 -2.772 6.153 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.551 -4.740 6.024 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.000 -4.067 4.503 1.00 0.00 H new ATOM 1293 N ASP A 84 -3.469 -3.639 7.413 1.00 0.00 N ATOM 1294 CA ASP A 84 -2.167 -3.582 8.056 1.00 0.00 C ATOM 1295 C ASP A 84 -1.656 -5.005 8.291 1.00 0.00 C ATOM 1296 O ASP A 84 -0.449 -5.242 8.296 1.00 0.00 O ATOM 1297 CB ASP A 84 -2.253 -2.881 9.413 1.00 0.00 C ATOM 1298 CG ASP A 84 -3.490 -3.229 10.243 1.00 0.00 C ATOM 1299 OD1 ASP A 84 -4.578 -2.735 9.876 1.00 0.00 O ATOM 1300 OD2 ASP A 84 -3.320 -3.981 11.227 1.00 0.00 O ATOM 0 H ASP A 84 -4.261 -3.487 8.038 1.00 0.00 H new ATOM 0 HA ASP A 84 -1.494 -3.025 7.404 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -1.364 -3.131 9.991 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -2.235 -1.803 9.250 1.00 0.00 H new ATOM 1305 N GLU A 85 -2.600 -5.915 8.479 1.00 0.00 N ATOM 1306 CA GLU A 85 -2.261 -7.308 8.713 1.00 0.00 C ATOM 1307 C GLU A 85 -1.194 -7.770 7.718 1.00 0.00 C ATOM 1308 O GLU A 85 -0.433 -8.693 8.002 1.00 0.00 O ATOM 1309 CB GLU A 85 -3.504 -8.196 8.635 1.00 0.00 C ATOM 1310 CG GLU A 85 -4.098 -8.431 10.026 1.00 0.00 C ATOM 1311 CD GLU A 85 -3.064 -9.053 10.966 1.00 0.00 C ATOM 1312 OE1 GLU A 85 -2.765 -10.251 10.768 1.00 0.00 O ATOM 1313 OE2 GLU A 85 -2.596 -8.317 11.861 1.00 0.00 O ATOM 0 H GLU A 85 -3.600 -5.715 8.474 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.854 -7.397 9.720 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.249 -7.729 7.991 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -3.244 -9.152 8.180 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -4.449 -7.486 10.440 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.965 -9.087 9.949 1.00 0.00 H new ATOM 1320 N LEU A 86 -1.174 -7.105 6.572 1.00 0.00 N ATOM 1321 CA LEU A 86 -0.213 -7.436 5.533 1.00 0.00 C ATOM 1322 C LEU A 86 1.199 -7.122 6.032 1.00 0.00 C ATOM 1323 O LEU A 86 2.073 -7.987 6.017 1.00 0.00 O ATOM 1324 CB LEU A 86 -0.574 -6.730 4.225 1.00 0.00 C ATOM 1325 CG LEU A 86 0.212 -7.166 2.987 1.00 0.00 C ATOM 1326 CD1 LEU A 86 -0.117 -8.612 2.609 1.00 0.00 C ATOM 1327 CD2 LEU A 86 -0.019 -6.202 1.822 1.00 0.00 C ATOM 0 H LEU A 86 -1.807 -6.339 6.340 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.244 -8.503 5.311 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.635 -6.888 4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.431 -5.658 4.363 1.00 0.00 H new ATOM 0 HG LEU A 86 1.274 -7.130 3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.455 -8.896 1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.141 -9.272 3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.182 -8.699 2.395 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.551 -6.536 0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.080 -6.181 1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.307 -5.202 2.107 1.00 0.00 H new ATOM 1339 N LEU A 87 1.378 -5.881 6.461 1.00 0.00 N ATOM 1340 CA LEU A 87 2.669 -5.442 6.963 1.00 0.00 C ATOM 1341 C LEU A 87 3.259 -6.530 7.862 1.00 0.00 C ATOM 1342 O LEU A 87 4.382 -6.981 7.642 1.00 0.00 O ATOM 1343 CB LEU A 87 2.542 -4.080 7.648 1.00 0.00 C ATOM 1344 CG LEU A 87 3.796 -3.203 7.634 1.00 0.00 C ATOM 1345 CD1 LEU A 87 4.128 -2.744 6.213 1.00 0.00 C ATOM 1346 CD2 LEU A 87 3.650 -2.023 8.597 1.00 0.00 C ATOM 0 H LEU A 87 0.651 -5.166 6.471 1.00 0.00 H new ATOM 0 HA LEU A 87 3.368 -5.295 6.140 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.732 -3.529 7.170 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.248 -4.243 8.685 1.00 0.00 H new ATOM 0 HG LEU A 87 4.636 -3.803 7.984 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.023 -2.122 6.231 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.304 -3.615 5.581 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.294 -2.167 5.813 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.555 -1.416 8.568 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.795 -1.415 8.301 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.496 -2.396 9.609 1.00 0.00 H new ATOM 1358 N THR A 88 2.475 -6.922 8.856 1.00 0.00 N ATOM 1359 CA THR A 88 2.906 -7.949 9.789 1.00 0.00 C ATOM 1360 C THR A 88 3.094 -9.283 9.064 1.00 0.00 C ATOM 1361 O THR A 88 4.081 -9.982 9.289 1.00 0.00 O ATOM 1362 CB THR A 88 1.883 -8.014 10.925 1.00 0.00 C ATOM 1363 OG1 THR A 88 2.533 -7.365 12.014 1.00 0.00 O ATOM 1364 CG2 THR A 88 1.654 -9.442 11.425 1.00 0.00 C ATOM 0 H THR A 88 1.544 -6.547 9.035 1.00 0.00 H new ATOM 0 HA THR A 88 3.878 -7.709 10.220 1.00 0.00 H new ATOM 0 HB THR A 88 0.937 -7.592 10.587 1.00 0.00 H new ATOM 0 HG1 THR A 88 1.939 -7.360 12.794 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.920 -9.432 12.231 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.286 -10.060 10.606 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.593 -9.853 11.795 1.00 0.00 H new ATOM 1372 N TRP A 89 2.133 -9.596 8.208 1.00 0.00 N ATOM 1373 CA TRP A 89 2.181 -10.833 7.448 1.00 0.00 C ATOM 1374 C TRP A 89 3.581 -10.965 6.847 1.00 0.00 C ATOM 1375 O TRP A 89 4.310 -11.905 7.163 1.00 0.00 O ATOM 1376 CB TRP A 89 1.072 -10.874 6.395 1.00 0.00 C ATOM 1377 CG TRP A 89 1.256 -11.965 5.338 1.00 0.00 C ATOM 1378 CD1 TRP A 89 0.844 -13.239 5.387 1.00 0.00 C ATOM 1379 CD2 TRP A 89 1.922 -11.825 4.065 1.00 0.00 C ATOM 1380 NE1 TRP A 89 1.193 -13.928 4.244 1.00 0.00 N ATOM 1381 CE2 TRP A 89 1.870 -13.041 3.414 1.00 0.00 C ATOM 1382 CE3 TRP A 89 2.547 -10.709 3.483 1.00 0.00 C ATOM 1383 CZ2 TRP A 89 2.424 -13.256 2.147 1.00 0.00 C ATOM 1384 CZ3 TRP A 89 3.097 -10.940 2.216 1.00 0.00 C ATOM 1385 CH2 TRP A 89 3.053 -12.158 1.548 1.00 0.00 C ATOM 0 H TRP A 89 1.316 -9.014 8.024 1.00 0.00 H new ATOM 0 HA TRP A 89 1.998 -11.690 8.096 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.116 -11.025 6.895 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.022 -9.905 5.897 1.00 0.00 H new ATOM 0 HD1 TRP A 89 0.306 -13.672 6.217 1.00 0.00 H new ATOM 0 HE1 TRP A 89 0.992 -14.908 4.044 1.00 0.00 H new ATOM 0 HE3 TRP A 89 2.599 -9.749 3.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 2.369 -14.217 1.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 3.590 -10.114 1.724 1.00 0.00 H new ATOM 0 HH2 TRP A 89 3.502 -12.257 0.571 1.00 0.00 H new ATOM 1396 N ALA A 90 3.916 -10.011 5.992 1.00 0.00 N ATOM 1397 CA ALA A 90 5.216 -10.008 5.343 1.00 0.00 C ATOM 1398 C ALA A 90 6.312 -10.073 6.409 1.00 0.00 C ATOM 1399 O ALA A 90 7.242 -10.871 6.300 1.00 0.00 O ATOM 1400 CB ALA A 90 5.341 -8.770 4.453 1.00 0.00 C ATOM 0 H ALA A 90 3.309 -9.233 5.733 1.00 0.00 H new ATOM 0 HA ALA A 90 5.327 -10.882 4.701 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.316 -8.769 3.967 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.558 -8.786 3.695 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.238 -7.872 5.062 1.00 0.00 H new ATOM 1406 N LEU A 91 6.167 -9.223 7.414 1.00 0.00 N ATOM 1407 CA LEU A 91 7.133 -9.173 8.499 1.00 0.00 C ATOM 1408 C LEU A 91 7.298 -10.574 9.093 1.00 0.00 C ATOM 1409 O LEU A 91 8.353 -10.902 9.632 1.00 0.00 O ATOM 1410 CB LEU A 91 6.732 -8.113 9.526 1.00 0.00 C ATOM 1411 CG LEU A 91 7.564 -6.829 9.523 1.00 0.00 C ATOM 1412 CD1 LEU A 91 7.983 -6.449 8.102 1.00 0.00 C ATOM 1413 CD2 LEU A 91 6.819 -5.691 10.224 1.00 0.00 C ATOM 0 H LEU A 91 5.395 -8.562 7.500 1.00 0.00 H new ATOM 0 HA LEU A 91 8.110 -8.867 8.125 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.689 -7.847 9.356 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.790 -8.558 10.519 1.00 0.00 H new ATOM 0 HG LEU A 91 8.477 -7.014 10.089 1.00 0.00 H new ATOM 0 HD11 LEU A 91 8.573 -5.533 8.129 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.580 -7.253 7.672 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.095 -6.290 7.491 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.432 -4.790 10.208 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.879 -5.499 9.707 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.614 -5.972 11.257 1.00 0.00 H new ATOM 1425 N ASP A 92 6.239 -11.361 8.974 1.00 0.00 N ATOM 1426 CA ASP A 92 6.253 -12.718 9.493 1.00 0.00 C ATOM 1427 C ASP A 92 6.565 -13.691 8.355 1.00 0.00 C ATOM 1428 O ASP A 92 5.762 -13.859 7.439 1.00 0.00 O ATOM 1429 CB ASP A 92 4.892 -13.097 10.080 1.00 0.00 C ATOM 1430 CG ASP A 92 4.852 -13.202 11.606 1.00 0.00 C ATOM 1431 OD1 ASP A 92 5.875 -12.840 12.226 1.00 0.00 O ATOM 1432 OD2 ASP A 92 3.799 -13.641 12.117 1.00 0.00 O ATOM 0 H ASP A 92 5.365 -11.085 8.526 1.00 0.00 H new ATOM 0 HA ASP A 92 7.011 -12.773 10.275 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.157 -12.357 9.762 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.584 -14.053 9.657 1.00 0.00 H new ATOM 1437 N PRO A 93 7.765 -14.324 8.453 1.00 0.00 N ATOM 1438 CA PRO A 93 8.194 -15.276 7.443 1.00 0.00 C ATOM 1439 C PRO A 93 7.443 -16.602 7.586 1.00 0.00 C ATOM 1440 O PRO A 93 7.229 -17.308 6.601 1.00 0.00 O ATOM 1441 CB PRO A 93 9.693 -15.418 7.646 1.00 0.00 C ATOM 1442 CG PRO A 93 9.974 -14.902 9.048 1.00 0.00 C ATOM 1443 CD PRO A 93 8.742 -14.150 9.524 1.00 0.00 C ATOM 0 HA PRO A 93 7.973 -14.941 6.429 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.004 -16.457 7.543 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.244 -14.844 6.901 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.200 -15.729 9.721 1.00 0.00 H new ATOM 0 HG3 PRO A 93 10.844 -14.246 9.046 1.00 0.00 H new ATOM 0 HD2 PRO A 93 8.372 -14.553 10.467 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.962 -13.096 9.692 1.00 0.00 H new ATOM 1451 N LYS A 94 7.065 -16.901 8.820 1.00 0.00 N ATOM 1452 CA LYS A 94 6.343 -18.129 9.104 1.00 0.00 C ATOM 1453 C LYS A 94 5.005 -18.113 8.363 1.00 0.00 C ATOM 1454 O LYS A 94 4.599 -19.121 7.786 1.00 0.00 O ATOM 1455 CB LYS A 94 6.207 -18.333 10.615 1.00 0.00 C ATOM 1456 CG LYS A 94 7.573 -18.281 11.301 1.00 0.00 C ATOM 1457 CD LYS A 94 8.513 -19.346 10.732 1.00 0.00 C ATOM 1458 CE LYS A 94 9.209 -20.118 11.855 1.00 0.00 C ATOM 1459 NZ LYS A 94 10.317 -19.318 12.424 1.00 0.00 N ATOM 0 H LYS A 94 7.245 -16.314 9.634 1.00 0.00 H new ATOM 0 HA LYS A 94 6.900 -18.991 8.737 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.557 -17.564 11.032 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.732 -19.294 10.814 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.014 -17.293 11.167 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.451 -18.434 12.373 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.949 -20.037 10.106 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.259 -18.874 10.093 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.490 -20.362 12.637 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.594 -21.062 11.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.779 -19.856 13.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.011 -19.107 11.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.941 -18.428 12.809 1.00 0.00 H new ATOM 1516 N LEU A 99 -2.633 -15.382 1.716 1.00 0.00 N ATOM 1517 CA LEU A 99 -2.614 -13.963 2.028 1.00 0.00 C ATOM 1518 C LEU A 99 -3.386 -13.721 3.327 1.00 0.00 C ATOM 1519 O LEU A 99 -4.231 -14.528 3.711 1.00 0.00 O ATOM 1520 CB LEU A 99 -3.134 -13.147 0.843 1.00 0.00 C ATOM 1521 CG LEU A 99 -2.339 -13.274 -0.459 1.00 0.00 C ATOM 1522 CD1 LEU A 99 -3.193 -12.875 -1.664 1.00 0.00 C ATOM 1523 CD2 LEU A 99 -1.038 -12.471 -0.387 1.00 0.00 C ATOM 0 HA LEU A 99 -1.592 -13.623 2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.164 -13.444 0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.155 -12.096 1.132 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.065 -14.321 -0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.604 -12.974 -2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.066 -13.525 -1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.518 -11.841 -1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.492 -12.578 -1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.269 -11.419 -0.219 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.426 -12.843 0.434 1.00 0.00 H new ATOM 1535 N PRO A 100 -3.059 -12.576 3.984 1.00 0.00 N ATOM 1536 CA PRO A 100 -3.712 -12.218 5.232 1.00 0.00 C ATOM 1537 C PRO A 100 -5.133 -11.709 4.981 1.00 0.00 C ATOM 1538 O PRO A 100 -5.457 -11.284 3.873 1.00 0.00 O ATOM 1539 CB PRO A 100 -2.808 -11.170 5.862 1.00 0.00 C ATOM 1540 CG PRO A 100 -1.933 -10.644 4.736 1.00 0.00 C ATOM 1541 CD PRO A 100 -2.063 -11.597 3.559 1.00 0.00 C ATOM 0 HA PRO A 100 -3.838 -13.070 5.900 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.394 -10.367 6.309 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.202 -11.604 6.657 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.243 -9.639 4.449 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -0.894 -10.577 5.060 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.382 -11.073 2.658 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.111 -12.075 3.329 1.00 0.00 H new ATOM 1549 N SER A 101 -5.942 -11.769 6.028 1.00 0.00 N ATOM 1550 CA SER A 101 -7.321 -11.319 5.935 1.00 0.00 C ATOM 1551 C SER A 101 -7.573 -10.193 6.939 1.00 0.00 C ATOM 1552 O SER A 101 -7.316 -10.351 8.132 1.00 0.00 O ATOM 1553 CB SER A 101 -8.294 -12.474 6.177 1.00 0.00 C ATOM 1554 OG SER A 101 -7.917 -13.263 7.303 1.00 0.00 O ATOM 0 H SER A 101 -5.669 -12.122 6.945 1.00 0.00 H new ATOM 0 HA SER A 101 -7.491 -10.942 4.926 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.297 -12.077 6.332 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.335 -13.105 5.289 1.00 0.00 H new ATOM 0 HG SER A 101 -7.607 -12.676 8.024 1.00 0.00 H new ATOM 1560 N SER A 102 -8.072 -9.081 6.420 1.00 0.00 N ATOM 1561 CA SER A 102 -8.362 -7.929 7.257 1.00 0.00 C ATOM 1562 C SER A 102 -9.519 -8.248 8.205 1.00 0.00 C ATOM 1563 O SER A 102 -10.362 -9.091 7.900 1.00 0.00 O ATOM 1564 CB SER A 102 -8.696 -6.701 6.407 1.00 0.00 C ATOM 1565 OG SER A 102 -9.338 -7.056 5.186 1.00 0.00 O ATOM 0 H SER A 102 -8.283 -8.953 5.430 1.00 0.00 H new ATOM 0 HA SER A 102 -7.472 -7.701 7.844 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.342 -6.032 6.975 1.00 0.00 H new ATOM 0 HB3 SER A 102 -7.780 -6.151 6.189 1.00 0.00 H new ATOM 0 HG SER A 102 -10.286 -7.238 5.356 1.00 0.00 H new ATOM 1571 N THR A 103 -9.523 -7.559 9.337 1.00 0.00 N ATOM 1572 CA THR A 103 -10.563 -7.758 10.332 1.00 0.00 C ATOM 1573 C THR A 103 -11.520 -6.565 10.349 1.00 0.00 C ATOM 1574 O THR A 103 -12.170 -6.301 11.360 1.00 0.00 O ATOM 1575 CB THR A 103 -9.885 -8.014 11.679 1.00 0.00 C ATOM 1576 OG1 THR A 103 -9.017 -6.896 11.848 1.00 0.00 O ATOM 1577 CG2 THR A 103 -8.940 -9.217 11.641 1.00 0.00 C ATOM 0 H THR A 103 -8.822 -6.862 9.587 1.00 0.00 H new ATOM 0 HA THR A 103 -11.179 -8.624 10.093 1.00 0.00 H new ATOM 0 HB THR A 103 -10.646 -8.175 12.443 1.00 0.00 H new ATOM 0 HG1 THR A 103 -8.538 -6.979 12.699 1.00 0.00 H new ATOM 0 HG21 THR A 103 -8.486 -9.354 12.622 1.00 0.00 H new ATOM 0 HG22 THR A 103 -9.501 -10.112 11.373 1.00 0.00 H new ATOM 0 HG23 THR A 103 -8.159 -9.043 10.901 1.00 0.00 H new ATOM 1585 N ARG A 104 -11.577 -5.877 9.219 1.00 0.00 N ATOM 1586 CA ARG A 104 -12.445 -4.718 9.092 1.00 0.00 C ATOM 1587 C ARG A 104 -12.644 -4.363 7.617 1.00 0.00 C ATOM 1588 O ARG A 104 -11.786 -4.653 6.784 1.00 0.00 O ATOM 1589 CB ARG A 104 -11.860 -3.509 9.825 1.00 0.00 C ATOM 1590 CG ARG A 104 -10.659 -2.938 9.070 1.00 0.00 C ATOM 1591 CD ARG A 104 -10.868 -1.457 8.747 1.00 0.00 C ATOM 1592 NE ARG A 104 -10.137 -0.618 9.722 1.00 0.00 N ATOM 1593 CZ ARG A 104 -8.802 -0.573 9.823 1.00 0.00 C ATOM 1594 NH1 ARG A 104 -8.043 -1.318 9.009 1.00 0.00 N ATOM 1595 NH2 ARG A 104 -8.226 0.218 10.739 1.00 0.00 N ATOM 0 H ARG A 104 -11.037 -6.099 8.383 1.00 0.00 H new ATOM 0 HA ARG A 104 -13.405 -4.972 9.541 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -12.625 -2.740 9.933 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.557 -3.801 10.830 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.757 -3.059 9.670 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.506 -3.497 8.147 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -10.518 -1.244 7.737 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -11.931 -1.217 8.773 1.00 0.00 H new ATOM 0 HE ARG A 104 -10.684 -0.037 10.357 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -8.481 -1.920 8.312 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -7.027 -1.284 9.086 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -8.804 0.785 11.359 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -7.210 0.253 10.816 1.00 0.00 H new ATOM 1609 N THR A 105 -13.780 -3.741 7.339 1.00 0.00 N ATOM 1610 CA THR A 105 -14.103 -3.344 5.979 1.00 0.00 C ATOM 1611 C THR A 105 -14.022 -1.823 5.834 1.00 0.00 C ATOM 1612 O THR A 105 -14.174 -1.094 6.813 1.00 0.00 O ATOM 1613 CB THR A 105 -15.479 -3.915 5.633 1.00 0.00 C ATOM 1614 OG1 THR A 105 -15.242 -5.308 5.450 1.00 0.00 O ATOM 1615 CG2 THR A 105 -15.985 -3.440 4.269 1.00 0.00 C ATOM 0 H THR A 105 -14.489 -3.502 8.033 1.00 0.00 H new ATOM 0 HA THR A 105 -13.381 -3.746 5.268 1.00 0.00 H new ATOM 0 HB THR A 105 -16.194 -3.629 6.404 1.00 0.00 H new ATOM 0 HG1 THR A 105 -16.084 -5.756 5.224 1.00 0.00 H new ATOM 0 HG21 THR A 105 -16.965 -3.875 4.073 1.00 0.00 H new ATOM 0 HG22 THR A 105 -16.064 -2.353 4.268 1.00 0.00 H new ATOM 0 HG23 THR A 105 -15.287 -3.754 3.493 1.00 0.00 H new ATOM 1623 N VAL A 106 -13.782 -1.389 4.605 1.00 0.00 N ATOM 1624 CA VAL A 106 -13.680 0.031 4.320 1.00 0.00 C ATOM 1625 C VAL A 106 -14.064 0.283 2.860 1.00 0.00 C ATOM 1626 O VAL A 106 -13.787 -0.541 1.991 1.00 0.00 O ATOM 1627 CB VAL A 106 -12.276 0.534 4.663 1.00 0.00 C ATOM 1628 CG1 VAL A 106 -12.019 1.909 4.044 1.00 0.00 C ATOM 1629 CG2 VAL A 106 -12.061 0.566 6.178 1.00 0.00 C ATOM 0 H VAL A 106 -13.655 -1.997 3.796 1.00 0.00 H new ATOM 0 HA VAL A 106 -14.375 0.596 4.942 1.00 0.00 H new ATOM 0 HB VAL A 106 -11.556 -0.165 4.236 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -11.014 2.243 4.303 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -12.111 1.843 2.960 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -12.749 2.623 4.427 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -11.056 0.927 6.395 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -12.793 1.232 6.635 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -12.181 -0.438 6.584 1.00 0.00 H new ATOM 1639 N LYS A 107 -14.696 1.426 2.637 1.00 0.00 N ATOM 1640 CA LYS A 107 -15.121 1.797 1.298 1.00 0.00 C ATOM 1641 C LYS A 107 -14.822 3.279 1.064 1.00 0.00 C ATOM 1642 O LYS A 107 -14.890 4.083 1.992 1.00 0.00 O ATOM 1643 CB LYS A 107 -16.589 1.424 1.079 1.00 0.00 C ATOM 1644 CG LYS A 107 -17.029 1.744 -0.351 1.00 0.00 C ATOM 1645 CD LYS A 107 -18.060 2.874 -0.367 1.00 0.00 C ATOM 1646 CE LYS A 107 -19.437 2.354 -0.785 1.00 0.00 C ATOM 1647 NZ LYS A 107 -20.027 3.228 -1.825 1.00 0.00 N ATOM 0 H LYS A 107 -14.924 2.107 3.361 1.00 0.00 H new ATOM 0 HA LYS A 107 -14.558 1.236 0.551 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -16.732 0.362 1.278 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -17.215 1.968 1.786 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -16.162 2.029 -0.947 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -17.454 0.853 -0.813 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -18.123 3.327 0.622 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -17.738 3.655 -1.056 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -19.348 1.336 -1.164 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -20.096 2.315 0.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -20.836 2.746 -2.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -20.348 4.117 -1.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -19.311 3.436 -2.550 1.00 0.00 H new ATOM 1661 N ALA A 108 -14.497 3.595 -0.181 1.00 0.00 N ATOM 1662 CA ALA A 108 -14.187 4.966 -0.548 1.00 0.00 C ATOM 1663 C ALA A 108 -15.485 5.710 -0.867 1.00 0.00 C ATOM 1664 O ALA A 108 -16.136 5.427 -1.872 1.00 0.00 O ATOM 1665 CB ALA A 108 -13.208 4.971 -1.723 1.00 0.00 C ATOM 0 H ALA A 108 -14.442 2.925 -0.948 1.00 0.00 H new ATOM 0 HA ALA A 108 -13.705 5.485 0.280 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -12.975 6.000 -1.998 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -12.291 4.456 -1.435 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -13.659 4.461 -2.574 1.00 0.00 H new ATOM 1671 N LEU A 109 -15.823 6.647 0.006 1.00 0.00 N ATOM 1672 CA LEU A 109 -17.031 7.434 -0.170 1.00 0.00 C ATOM 1673 C LEU A 109 -16.686 8.737 -0.893 1.00 0.00 C ATOM 1674 O LEU A 109 -17.529 9.315 -1.577 1.00 0.00 O ATOM 1675 CB LEU A 109 -17.735 7.644 1.172 1.00 0.00 C ATOM 1676 CG LEU A 109 -17.648 6.481 2.164 1.00 0.00 C ATOM 1677 CD1 LEU A 109 -16.530 6.711 3.182 1.00 0.00 C ATOM 1678 CD2 LEU A 109 -18.998 6.237 2.841 1.00 0.00 C ATOM 0 H LEU A 109 -15.281 6.879 0.838 1.00 0.00 H new ATOM 0 HA LEU A 109 -17.744 6.900 -0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -17.315 8.532 1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -18.787 7.853 0.979 1.00 0.00 H new ATOM 0 HG LEU A 109 -17.397 5.577 1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -16.490 5.870 3.875 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -15.576 6.798 2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -16.726 7.629 3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -18.909 5.406 3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -19.302 7.134 3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -19.746 5.997 2.085 1.00 0.00 H new ATOM 1690 N THR A 110 -15.443 9.162 -0.718 1.00 0.00 N ATOM 1691 CA THR A 110 -14.975 10.386 -1.345 1.00 0.00 C ATOM 1692 C THR A 110 -13.596 10.171 -1.972 1.00 0.00 C ATOM 1693 O THR A 110 -12.854 9.282 -1.558 1.00 0.00 O ATOM 1694 CB THR A 110 -14.997 11.496 -0.292 1.00 0.00 C ATOM 1695 OG1 THR A 110 -14.412 12.614 -0.953 1.00 0.00 O ATOM 1696 CG2 THR A 110 -14.048 11.215 0.875 1.00 0.00 C ATOM 0 H THR A 110 -14.746 8.680 -0.151 1.00 0.00 H new ATOM 0 HA THR A 110 -15.628 10.684 -2.166 1.00 0.00 H new ATOM 0 HB THR A 110 -16.012 11.617 0.086 1.00 0.00 H new ATOM 0 HG1 THR A 110 -14.388 13.380 -0.342 1.00 0.00 H new ATOM 0 HG21 THR A 110 -14.102 12.033 1.593 1.00 0.00 H new ATOM 0 HG22 THR A 110 -14.337 10.284 1.363 1.00 0.00 H new ATOM 0 HG23 THR A 110 -13.028 11.127 0.501 1.00 0.00 H new ATOM 1704 N GLU A 111 -13.295 11.001 -2.960 1.00 0.00 N ATOM 1705 CA GLU A 111 -12.018 10.912 -3.648 1.00 0.00 C ATOM 1706 C GLU A 111 -10.895 10.631 -2.649 1.00 0.00 C ATOM 1707 O GLU A 111 -10.576 11.476 -1.813 1.00 0.00 O ATOM 1708 CB GLU A 111 -11.736 12.187 -4.446 1.00 0.00 C ATOM 1709 CG GLU A 111 -10.662 11.942 -5.508 1.00 0.00 C ATOM 1710 CD GLU A 111 -10.552 13.135 -6.461 1.00 0.00 C ATOM 1711 OE1 GLU A 111 -11.392 13.204 -7.383 1.00 0.00 O ATOM 1712 OE2 GLU A 111 -9.629 13.950 -6.245 1.00 0.00 O ATOM 0 H GLU A 111 -13.913 11.738 -3.300 1.00 0.00 H new ATOM 0 HA GLU A 111 -12.065 10.083 -4.354 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.653 12.532 -4.924 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.411 12.979 -3.771 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.701 11.768 -5.025 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.903 11.041 -6.073 1.00 0.00 H new ATOM 1719 N VAL A 112 -10.325 9.441 -2.767 1.00 0.00 N ATOM 1720 CA VAL A 112 -9.243 9.038 -1.884 1.00 0.00 C ATOM 1721 C VAL A 112 -7.915 9.127 -2.638 1.00 0.00 C ATOM 1722 O VAL A 112 -7.849 8.815 -3.826 1.00 0.00 O ATOM 1723 CB VAL A 112 -9.520 7.642 -1.322 1.00 0.00 C ATOM 1724 CG1 VAL A 112 -8.696 7.387 -0.058 1.00 0.00 C ATOM 1725 CG2 VAL A 112 -11.013 7.445 -1.053 1.00 0.00 C ATOM 0 H VAL A 112 -10.592 8.742 -3.461 1.00 0.00 H new ATOM 0 HA VAL A 112 -9.176 9.711 -1.029 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.217 6.912 -2.073 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -8.911 6.388 0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -7.635 7.465 -0.294 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.954 8.126 0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -11.182 6.445 -0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.353 8.186 -0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -11.569 7.563 -1.983 1.00 0.00 H new ATOM 1735 N GLU A 113 -6.889 9.554 -1.916 1.00 0.00 N ATOM 1736 CA GLU A 113 -5.566 9.688 -2.502 1.00 0.00 C ATOM 1737 C GLU A 113 -4.529 8.964 -1.641 1.00 0.00 C ATOM 1738 O GLU A 113 -4.187 9.428 -0.555 1.00 0.00 O ATOM 1739 CB GLU A 113 -5.195 11.161 -2.687 1.00 0.00 C ATOM 1740 CG GLU A 113 -6.155 11.851 -3.658 1.00 0.00 C ATOM 1741 CD GLU A 113 -5.404 12.814 -4.579 1.00 0.00 C ATOM 1742 OE1 GLU A 113 -4.704 12.306 -5.481 1.00 0.00 O ATOM 1743 OE2 GLU A 113 -5.547 14.037 -4.360 1.00 0.00 O ATOM 0 H GLU A 113 -6.947 9.812 -0.931 1.00 0.00 H new ATOM 0 HA GLU A 113 -5.577 9.224 -3.488 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.219 11.670 -1.723 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -4.175 11.238 -3.062 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.675 11.102 -4.255 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -6.915 12.396 -3.098 1.00 0.00 H new ATOM 1750 N ALA A 114 -4.057 7.840 -2.160 1.00 0.00 N ATOM 1751 CA ALA A 114 -3.066 7.048 -1.452 1.00 0.00 C ATOM 1752 C ALA A 114 -2.358 6.121 -2.443 1.00 0.00 C ATOM 1753 O ALA A 114 -2.727 6.061 -3.615 1.00 0.00 O ATOM 1754 CB ALA A 114 -3.743 6.279 -0.316 1.00 0.00 C ATOM 0 H ALA A 114 -4.342 7.459 -3.062 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.309 7.692 -1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.999 5.685 0.215 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.206 6.984 0.375 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.507 5.620 -0.728 1.00 0.00 H new ATOM 1760 N PHE A 115 -1.354 5.422 -1.936 1.00 0.00 N ATOM 1761 CA PHE A 115 -0.591 4.501 -2.761 1.00 0.00 C ATOM 1762 C PHE A 115 -0.853 3.050 -2.351 1.00 0.00 C ATOM 1763 O PHE A 115 -1.333 2.791 -1.249 1.00 0.00 O ATOM 1764 CB PHE A 115 0.889 4.822 -2.540 1.00 0.00 C ATOM 1765 CG PHE A 115 1.252 6.286 -2.792 1.00 0.00 C ATOM 1766 CD1 PHE A 115 1.091 7.207 -1.804 1.00 0.00 C ATOM 1767 CD2 PHE A 115 1.737 6.668 -4.004 1.00 0.00 C ATOM 1768 CE1 PHE A 115 1.429 8.566 -2.038 1.00 0.00 C ATOM 1769 CE2 PHE A 115 2.075 8.027 -4.238 1.00 0.00 C ATOM 1770 CZ PHE A 115 1.913 8.947 -3.250 1.00 0.00 C ATOM 0 H PHE A 115 -1.051 5.475 -0.964 1.00 0.00 H new ATOM 0 HA PHE A 115 -0.880 4.612 -3.806 1.00 0.00 H new ATOM 0 HB2 PHE A 115 1.157 4.563 -1.516 1.00 0.00 H new ATOM 0 HB3 PHE A 115 1.489 4.191 -3.196 1.00 0.00 H new ATOM 0 HD1 PHE A 115 0.706 6.904 -0.841 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.865 5.937 -4.789 1.00 0.00 H new ATOM 0 HE1 PHE A 115 1.302 9.297 -1.253 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.461 8.330 -5.200 1.00 0.00 H new ATOM 0 HZ PHE A 115 2.169 9.981 -3.428 1.00 0.00 H new ATOM 1780 N ALA A 116 -0.526 2.144 -3.260 1.00 0.00 N ATOM 1781 CA ALA A 116 -0.720 0.726 -3.006 1.00 0.00 C ATOM 1782 C ALA A 116 0.617 0.095 -2.614 1.00 0.00 C ATOM 1783 O ALA A 116 1.677 0.651 -2.897 1.00 0.00 O ATOM 1784 CB ALA A 116 -1.336 0.066 -4.241 1.00 0.00 C ATOM 0 H ALA A 116 -0.128 2.364 -4.173 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.411 0.576 -2.177 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.482 -0.997 -4.051 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.297 0.530 -4.460 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.668 0.194 -5.093 1.00 0.00 H new ATOM 1790 N LEU A 117 0.524 -1.059 -1.968 1.00 0.00 N ATOM 1791 CA LEU A 117 1.713 -1.772 -1.534 1.00 0.00 C ATOM 1792 C LEU A 117 1.480 -3.277 -1.674 1.00 0.00 C ATOM 1793 O LEU A 117 0.569 -3.828 -1.058 1.00 0.00 O ATOM 1794 CB LEU A 117 2.111 -1.340 -0.122 1.00 0.00 C ATOM 1795 CG LEU A 117 3.613 -1.288 0.166 1.00 0.00 C ATOM 1796 CD1 LEU A 117 4.302 -2.578 -0.285 1.00 0.00 C ATOM 1797 CD2 LEU A 117 4.250 -0.048 -0.464 1.00 0.00 C ATOM 0 H LEU A 117 -0.357 -1.517 -1.735 1.00 0.00 H new ATOM 0 HA LEU A 117 2.561 -1.520 -2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 117 1.691 -0.352 0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 117 1.648 -2.024 0.590 1.00 0.00 H new ATOM 0 HG LEU A 117 3.752 -1.208 1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 117 5.369 -2.515 -0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.873 -3.426 0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 117 4.156 -2.713 -1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 117 5.318 -0.036 -0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 117 4.102 -0.072 -1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 117 3.785 0.848 -0.054 1.00 0.00 H new ATOM 1809 N ILE A 118 2.318 -3.901 -2.489 1.00 0.00 N ATOM 1810 CA ILE A 118 2.215 -5.332 -2.718 1.00 0.00 C ATOM 1811 C ILE A 118 2.912 -6.078 -1.579 1.00 0.00 C ATOM 1812 O ILE A 118 3.944 -5.631 -1.080 1.00 0.00 O ATOM 1813 CB ILE A 118 2.747 -5.692 -4.106 1.00 0.00 C ATOM 1814 CG1 ILE A 118 2.853 -7.209 -4.276 1.00 0.00 C ATOM 1815 CG2 ILE A 118 4.078 -4.990 -4.382 1.00 0.00 C ATOM 1816 CD1 ILE A 118 3.099 -7.582 -5.739 1.00 0.00 C ATOM 0 H ILE A 118 3.072 -3.441 -2.999 1.00 0.00 H new ATOM 0 HA ILE A 118 1.171 -5.645 -2.712 1.00 0.00 H new ATOM 0 HB ILE A 118 2.034 -5.334 -4.849 1.00 0.00 H new ATOM 0 HG12 ILE A 118 3.665 -7.592 -3.658 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.936 -7.683 -3.926 1.00 0.00 H new ATOM 0 HG21 ILE A 118 4.434 -5.263 -5.375 1.00 0.00 H new ATOM 0 HG22 ILE A 118 3.937 -3.910 -4.331 1.00 0.00 H new ATOM 0 HG23 ILE A 118 4.812 -5.296 -3.637 1.00 0.00 H new ATOM 0 HD11 ILE A 118 3.170 -8.666 -5.831 1.00 0.00 H new ATOM 0 HD12 ILE A 118 2.273 -7.219 -6.351 1.00 0.00 H new ATOM 0 HD13 ILE A 118 4.029 -7.127 -6.079 1.00 0.00 H new ATOM 1828 N ALA A 119 2.321 -7.201 -1.201 1.00 0.00 N ATOM 1829 CA ALA A 119 2.873 -8.014 -0.130 1.00 0.00 C ATOM 1830 C ALA A 119 4.234 -8.563 -0.561 1.00 0.00 C ATOM 1831 O ALA A 119 5.197 -8.515 0.202 1.00 0.00 O ATOM 1832 CB ALA A 119 1.883 -9.124 0.231 1.00 0.00 C ATOM 0 H ALA A 119 1.465 -7.568 -1.617 1.00 0.00 H new ATOM 0 HA ALA A 119 3.030 -7.413 0.766 1.00 0.00 H new ATOM 0 HB1 ALA A 119 2.297 -9.734 1.034 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.943 -8.681 0.560 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.703 -9.749 -0.643 1.00 0.00 H new ATOM 1838 N ASP A 120 4.269 -9.073 -1.784 1.00 0.00 N ATOM 1839 CA ASP A 120 5.496 -9.632 -2.326 1.00 0.00 C ATOM 1840 C ASP A 120 6.664 -8.698 -2.000 1.00 0.00 C ATOM 1841 O ASP A 120 7.528 -9.038 -1.192 1.00 0.00 O ATOM 1842 CB ASP A 120 5.413 -9.770 -3.848 1.00 0.00 C ATOM 1843 CG ASP A 120 5.735 -11.165 -4.389 1.00 0.00 C ATOM 1844 OD1 ASP A 120 6.941 -11.438 -4.571 1.00 0.00 O ATOM 1845 OD2 ASP A 120 4.768 -11.926 -4.607 1.00 0.00 O ATOM 0 H ASP A 120 3.468 -9.111 -2.414 1.00 0.00 H new ATOM 0 HA ASP A 120 5.643 -10.616 -1.882 1.00 0.00 H new ATOM 0 HB2 ASP A 120 4.408 -9.495 -4.168 1.00 0.00 H new ATOM 0 HB3 ASP A 120 6.099 -9.054 -4.301 1.00 0.00 H new ATOM 1850 N GLU A 121 6.653 -7.541 -2.645 1.00 0.00 N ATOM 1851 CA GLU A 121 7.700 -6.556 -2.433 1.00 0.00 C ATOM 1852 C GLU A 121 7.891 -6.298 -0.937 1.00 0.00 C ATOM 1853 O GLU A 121 9.008 -6.052 -0.484 1.00 0.00 O ATOM 1854 CB GLU A 121 7.390 -5.257 -3.179 1.00 0.00 C ATOM 1855 CG GLU A 121 7.272 -5.504 -4.684 1.00 0.00 C ATOM 1856 CD GLU A 121 8.624 -5.326 -5.377 1.00 0.00 C ATOM 1857 OE1 GLU A 121 9.594 -5.953 -4.898 1.00 0.00 O ATOM 1858 OE2 GLU A 121 8.658 -4.568 -6.370 1.00 0.00 O ATOM 0 H GLU A 121 5.936 -7.263 -3.315 1.00 0.00 H new ATOM 0 HA GLU A 121 8.632 -6.953 -2.835 1.00 0.00 H new ATOM 0 HB2 GLU A 121 6.460 -4.830 -2.803 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.176 -4.527 -2.987 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.898 -6.512 -4.862 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.546 -4.814 -5.113 1.00 0.00 H new ATOM 1865 N LEU A 122 6.784 -6.361 -0.212 1.00 0.00 N ATOM 1866 CA LEU A 122 6.816 -6.137 1.223 1.00 0.00 C ATOM 1867 C LEU A 122 7.659 -7.227 1.887 1.00 0.00 C ATOM 1868 O LEU A 122 8.748 -6.955 2.390 1.00 0.00 O ATOM 1869 CB LEU A 122 5.394 -6.033 1.781 1.00 0.00 C ATOM 1870 CG LEU A 122 5.199 -5.055 2.940 1.00 0.00 C ATOM 1871 CD1 LEU A 122 3.714 -4.770 3.172 1.00 0.00 C ATOM 1872 CD2 LEU A 122 5.890 -5.561 4.208 1.00 0.00 C ATOM 0 H LEU A 122 5.859 -6.564 -0.592 1.00 0.00 H new ATOM 0 HA LEU A 122 7.293 -5.183 1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 122 4.727 -5.742 0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 122 5.081 -7.024 2.111 1.00 0.00 H new ATOM 0 HG LEU A 122 5.671 -4.110 2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 122 3.603 -4.072 4.002 1.00 0.00 H new ATOM 0 HD12 LEU A 122 3.282 -4.335 2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 122 3.198 -5.700 3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 122 5.735 -4.846 5.016 1.00 0.00 H new ATOM 0 HD22 LEU A 122 5.469 -6.526 4.491 1.00 0.00 H new ATOM 0 HD23 LEU A 122 6.958 -5.672 4.021 1.00 0.00 H new ATOM 1884 N LYS A 123 7.123 -8.439 1.867 1.00 0.00 N ATOM 1885 CA LYS A 123 7.812 -9.572 2.461 1.00 0.00 C ATOM 1886 C LYS A 123 9.304 -9.484 2.133 1.00 0.00 C ATOM 1887 O LYS A 123 10.147 -9.639 3.016 1.00 0.00 O ATOM 1888 CB LYS A 123 7.162 -10.885 2.021 1.00 0.00 C ATOM 1889 CG LYS A 123 7.449 -12.003 3.027 1.00 0.00 C ATOM 1890 CD LYS A 123 6.157 -12.708 3.445 1.00 0.00 C ATOM 1891 CE LYS A 123 6.101 -14.129 2.879 1.00 0.00 C ATOM 1892 NZ LYS A 123 7.101 -14.993 3.546 1.00 0.00 N ATOM 0 H LYS A 123 6.220 -8.661 1.449 1.00 0.00 H new ATOM 0 HA LYS A 123 7.721 -9.547 3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 123 6.085 -10.747 1.923 1.00 0.00 H new ATOM 0 HB3 LYS A 123 7.538 -11.170 1.038 1.00 0.00 H new ATOM 0 HG2 LYS A 123 8.136 -12.726 2.587 1.00 0.00 H new ATOM 0 HG3 LYS A 123 7.942 -11.588 3.906 1.00 0.00 H new ATOM 0 HD2 LYS A 123 6.093 -12.743 4.533 1.00 0.00 H new ATOM 0 HD3 LYS A 123 5.297 -12.138 3.093 1.00 0.00 H new ATOM 0 HE2 LYS A 123 5.103 -14.543 3.019 1.00 0.00 H new ATOM 0 HE3 LYS A 123 6.289 -14.107 1.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 7.704 -15.443 2.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 7.689 -14.417 4.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 6.613 -15.727 4.098 1.00 0.00 H new ATOM 1906 N PHE A 124 9.585 -9.237 0.862 1.00 0.00 N ATOM 1907 CA PHE A 124 10.960 -9.127 0.407 1.00 0.00 C ATOM 1908 C PHE A 124 11.741 -8.125 1.259 1.00 0.00 C ATOM 1909 O PHE A 124 12.651 -8.505 1.995 1.00 0.00 O ATOM 1910 CB PHE A 124 10.915 -8.625 -1.037 1.00 0.00 C ATOM 1911 CG PHE A 124 12.286 -8.267 -1.615 1.00 0.00 C ATOM 1912 CD1 PHE A 124 12.783 -7.011 -1.458 1.00 0.00 C ATOM 1913 CD2 PHE A 124 13.006 -9.205 -2.286 1.00 0.00 C ATOM 1914 CE1 PHE A 124 14.056 -6.680 -1.994 1.00 0.00 C ATOM 1915 CE2 PHE A 124 14.278 -8.873 -2.823 1.00 0.00 C ATOM 1916 CZ PHE A 124 14.776 -7.617 -2.665 1.00 0.00 C ATOM 0 H PHE A 124 8.883 -9.110 0.133 1.00 0.00 H new ATOM 0 HA PHE A 124 11.456 -10.094 0.486 1.00 0.00 H new ATOM 0 HB2 PHE A 124 10.457 -9.391 -1.663 1.00 0.00 H new ATOM 0 HB3 PHE A 124 10.271 -7.747 -1.086 1.00 0.00 H new ATOM 0 HD1 PHE A 124 12.210 -6.266 -0.926 1.00 0.00 H new ATOM 0 HD2 PHE A 124 12.611 -10.202 -2.411 1.00 0.00 H new ATOM 0 HE1 PHE A 124 14.452 -5.683 -1.868 1.00 0.00 H new ATOM 0 HE2 PHE A 124 14.850 -9.618 -3.357 1.00 0.00 H new ATOM 0 HZ PHE A 124 15.744 -7.365 -3.073 1.00 0.00 H new ATOM 1926 N VAL A 125 11.358 -6.863 1.131 1.00 0.00 N ATOM 1927 CA VAL A 125 12.011 -5.803 1.880 1.00 0.00 C ATOM 1928 C VAL A 125 11.938 -6.121 3.375 1.00 0.00 C ATOM 1929 O VAL A 125 12.845 -5.777 4.131 1.00 0.00 O ATOM 1930 CB VAL A 125 11.387 -4.451 1.525 1.00 0.00 C ATOM 1931 CG1 VAL A 125 10.168 -4.162 2.404 1.00 0.00 C ATOM 1932 CG2 VAL A 125 12.419 -3.327 1.632 1.00 0.00 C ATOM 0 H VAL A 125 10.604 -6.551 0.520 1.00 0.00 H new ATOM 0 HA VAL A 125 13.066 -5.740 1.612 1.00 0.00 H new ATOM 0 HB VAL A 125 11.049 -4.499 0.490 1.00 0.00 H new ATOM 0 HG11 VAL A 125 9.744 -3.196 2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 125 9.420 -4.941 2.257 1.00 0.00 H new ATOM 0 HG13 VAL A 125 10.471 -4.143 3.451 1.00 0.00 H new ATOM 0 HG21 VAL A 125 11.950 -2.377 1.375 1.00 0.00 H new ATOM 0 HG22 VAL A 125 12.800 -3.279 2.652 1.00 0.00 H new ATOM 0 HG23 VAL A 125 13.243 -3.523 0.946 1.00 0.00 H new ATOM 1942 N ALA A 126 10.850 -6.774 3.756 1.00 0.00 N ATOM 1943 CA ALA A 126 10.647 -7.142 5.147 1.00 0.00 C ATOM 1944 C ALA A 126 11.635 -8.247 5.527 1.00 0.00 C ATOM 1945 O ALA A 126 11.960 -8.417 6.701 1.00 0.00 O ATOM 1946 CB ALA A 126 9.191 -7.565 5.356 1.00 0.00 C ATOM 0 H ALA A 126 10.100 -7.058 3.126 1.00 0.00 H new ATOM 0 HA ALA A 126 10.837 -6.291 5.801 1.00 0.00 H new ATOM 0 HB1 ALA A 126 9.039 -7.841 6.399 1.00 0.00 H new ATOM 0 HB2 ALA A 126 8.531 -6.736 5.100 1.00 0.00 H new ATOM 0 HB3 ALA A 126 8.965 -8.419 4.718 1.00 0.00 H new ATOM 1952 N SER A 127 12.085 -8.970 4.511 1.00 0.00 N ATOM 1953 CA SER A 127 13.029 -10.053 4.724 1.00 0.00 C ATOM 1954 C SER A 127 14.462 -9.526 4.627 1.00 0.00 C ATOM 1955 O SER A 127 15.325 -9.917 5.411 1.00 0.00 O ATOM 1956 CB SER A 127 12.809 -11.181 3.714 1.00 0.00 C ATOM 1957 OG SER A 127 13.032 -12.465 4.291 1.00 0.00 O ATOM 0 H SER A 127 11.813 -8.826 3.539 1.00 0.00 H new ATOM 0 HA SER A 127 12.865 -10.458 5.723 1.00 0.00 H new ATOM 0 HB2 SER A 127 11.791 -11.129 3.328 1.00 0.00 H new ATOM 0 HB3 SER A 127 13.479 -11.044 2.865 1.00 0.00 H new ATOM 0 HG SER A 127 12.880 -13.158 3.615 1.00 0.00 H new