USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 790 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 71 THR OG1 : rot -150:sc=-0.00959 USER MOD Set 1.2: A 110 MET CE :methyl -111:sc= -7.98! (180deg=-12.1!) USER MOD Set 2.1: A 16 THR OG1 : rot 180:sc= -0.043 USER MOD Set 2.2: A 39 GLN : amide:sc= -1.44 X(o=-1.5,f=-1.9!) USER MOD Single : A 15 MET CE :methyl -177:sc= -0.0281 (180deg=-0.041) USER MOD Single : A 18 GLN : amide:sc= -2.11! C(o=-2.1!,f=-10!) USER MOD Single : A 21 CYS SG : rot -160:sc= -3.81! USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.094 USER MOD Single : A 33 THR OG1 : rot 81:sc= 0.0616 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -127:sc= -0.674 (180deg=-1.08) USER MOD Single : A 53 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.0498 X(o=-0.05,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.147 K(o=-0.15,f=-1.4!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0.187 X(o=0.19,f=-0.12) USER MOD Single : A 70 GLN : amide:sc= -0.399 K(o=-0.4,f=-2.5!) USER MOD Single : A 75 HIS : no HE2:sc= -3.81 K(o=-3.8,f=-4.4!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc=-0.00189 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.869 X(o=-0.87,f=-0.42) USER MOD Single : A 94 GLN : amide:sc= -0.529 X(o=-0.53,f=-0.095) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ -135:sc= -0.593 (180deg=-2.67!) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 171 N ILE A 14 18.757 -19.421 6.384 1.00 0.00 N ATOM 172 CA ILE A 14 17.441 -18.819 6.211 1.00 0.00 C ATOM 173 C ILE A 14 17.556 -17.345 5.834 1.00 0.00 C ATOM 174 O ILE A 14 18.179 -16.559 6.547 1.00 0.00 O ATOM 175 CB ILE A 14 16.591 -18.944 7.488 1.00 0.00 C ATOM 176 CG1 ILE A 14 16.463 -20.413 7.900 1.00 0.00 C ATOM 177 CG2 ILE A 14 15.217 -18.328 7.273 1.00 0.00 C ATOM 178 CD1 ILE A 14 16.048 -20.603 9.342 1.00 0.00 C ATOM 0 HA ILE A 14 16.950 -19.362 5.403 1.00 0.00 H new ATOM 0 HB ILE A 14 17.089 -18.402 8.292 1.00 0.00 H new ATOM 0 HG12 ILE A 14 15.734 -20.901 7.253 1.00 0.00 H new ATOM 0 HG13 ILE A 14 17.418 -20.912 7.737 1.00 0.00 H new ATOM 0 HG21 ILE A 14 14.628 -18.425 8.185 1.00 0.00 H new ATOM 0 HG22 ILE A 14 15.327 -17.273 7.022 1.00 0.00 H new ATOM 0 HG23 ILE A 14 14.710 -18.844 6.458 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.977 -21.668 9.563 1.00 0.00 H new ATOM 0 HD12 ILE A 14 16.789 -20.145 9.997 1.00 0.00 H new ATOM 0 HD13 ILE A 14 15.078 -20.133 9.506 1.00 0.00 H new ATOM 190 N MET A 15 16.951 -16.980 4.709 1.00 0.00 N ATOM 191 CA MET A 15 16.984 -15.599 4.238 1.00 0.00 C ATOM 192 C MET A 15 15.648 -14.908 4.491 1.00 0.00 C ATOM 193 O MET A 15 14.585 -15.464 4.210 1.00 0.00 O ATOM 194 CB MET A 15 17.321 -15.555 2.747 1.00 0.00 C ATOM 195 CG MET A 15 18.303 -16.630 2.313 1.00 0.00 C ATOM 196 SD MET A 15 17.485 -18.157 1.810 1.00 0.00 S ATOM 197 CE MET A 15 17.159 -17.813 0.083 1.00 0.00 C ATOM 0 H MET A 15 16.433 -17.619 4.107 1.00 0.00 H new ATOM 0 HA MET A 15 17.758 -15.069 4.793 1.00 0.00 H new ATOM 0 HB2 MET A 15 16.401 -15.661 2.172 1.00 0.00 H new ATOM 0 HB3 MET A 15 17.736 -14.577 2.506 1.00 0.00 H new ATOM 0 HG2 MET A 15 18.904 -16.255 1.485 1.00 0.00 H new ATOM 0 HG3 MET A 15 18.988 -16.843 3.133 1.00 0.00 H new ATOM 0 HE1 MET A 15 16.607 -18.644 -0.356 1.00 0.00 H new ATOM 0 HE2 MET A 15 16.568 -16.901 -0.001 1.00 0.00 H new ATOM 0 HE3 MET A 15 18.103 -17.684 -0.447 1.00 0.00 H new ATOM 207 N THR A 16 15.708 -13.691 5.022 1.00 0.00 N ATOM 208 CA THR A 16 14.503 -12.924 5.313 1.00 0.00 C ATOM 209 C THR A 16 14.119 -12.035 4.136 1.00 0.00 C ATOM 210 O THR A 16 14.738 -10.997 3.901 1.00 0.00 O ATOM 211 CB THR A 16 14.685 -12.046 6.567 1.00 0.00 C ATOM 212 OG1 THR A 16 15.527 -12.713 7.514 1.00 0.00 O ATOM 213 CG2 THR A 16 13.342 -11.731 7.207 1.00 0.00 C ATOM 0 H THR A 16 16.578 -13.215 5.259 1.00 0.00 H new ATOM 0 HA THR A 16 13.706 -13.645 5.495 1.00 0.00 H new ATOM 0 HB THR A 16 15.152 -11.109 6.263 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.639 -12.148 8.307 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.496 -11.111 8.090 1.00 0.00 H new ATOM 0 HG22 THR A 16 12.715 -11.197 6.493 1.00 0.00 H new ATOM 0 HG23 THR A 16 12.851 -12.660 7.498 1.00 0.00 H new ATOM 221 N LEU A 17 13.094 -12.449 3.399 1.00 0.00 N ATOM 222 CA LEU A 17 12.626 -11.689 2.245 1.00 0.00 C ATOM 223 C LEU A 17 11.299 -11.001 2.547 1.00 0.00 C ATOM 224 O LEU A 17 10.324 -11.651 2.926 1.00 0.00 O ATOM 225 CB LEU A 17 12.472 -12.609 1.033 1.00 0.00 C ATOM 226 CG LEU A 17 13.745 -12.885 0.233 1.00 0.00 C ATOM 227 CD1 LEU A 17 14.874 -13.312 1.158 1.00 0.00 C ATOM 228 CD2 LEU A 17 13.490 -13.947 -0.827 1.00 0.00 C ATOM 0 H LEU A 17 12.571 -13.306 3.580 1.00 0.00 H new ATOM 0 HA LEU A 17 13.368 -10.923 2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.068 -13.562 1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.733 -12.172 0.362 1.00 0.00 H new ATOM 0 HG LEU A 17 14.043 -11.964 -0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 17 15.772 -13.504 0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 17 15.074 -12.519 1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.586 -14.220 1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 17 14.407 -14.130 -1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.167 -14.871 -0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.712 -13.602 -1.508 1.00 0.00 H new ATOM 240 N GLN A 18 11.269 -9.683 2.378 1.00 0.00 N ATOM 241 CA GLN A 18 10.060 -8.908 2.631 1.00 0.00 C ATOM 242 C GLN A 18 9.358 -8.549 1.325 1.00 0.00 C ATOM 243 O GLN A 18 9.713 -7.584 0.647 1.00 0.00 O ATOM 244 CB GLN A 18 10.400 -7.634 3.408 1.00 0.00 C ATOM 245 CG GLN A 18 10.838 -7.893 4.840 1.00 0.00 C ATOM 246 CD GLN A 18 12.314 -8.223 4.948 1.00 0.00 C ATOM 247 OE1 GLN A 18 12.873 -8.909 4.092 1.00 0.00 O ATOM 248 NE2 GLN A 18 12.955 -7.733 6.004 1.00 0.00 N ATOM 0 H GLN A 18 12.068 -9.130 2.067 1.00 0.00 H new ATOM 0 HA GLN A 18 9.384 -9.521 3.228 1.00 0.00 H new ATOM 0 HB2 GLN A 18 11.194 -7.100 2.885 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.528 -6.980 3.416 1.00 0.00 H new ATOM 0 HG2 GLN A 18 10.621 -7.014 5.447 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.254 -8.717 5.251 1.00 0.00 H new ATOM 0 HE21 GLN A 18 12.452 -7.169 6.689 1.00 0.00 H new ATOM 0 HE22 GLN A 18 13.950 -7.921 6.129 1.00 0.00 H new ATOM 257 N PRO A 19 8.340 -9.344 0.963 1.00 0.00 N ATOM 258 CA PRO A 19 7.568 -9.130 -0.264 1.00 0.00 C ATOM 259 C PRO A 19 6.696 -7.881 -0.190 1.00 0.00 C ATOM 260 O PRO A 19 5.516 -7.956 0.152 1.00 0.00 O ATOM 261 CB PRO A 19 6.698 -10.385 -0.359 1.00 0.00 C ATOM 262 CG PRO A 19 6.569 -10.864 1.046 1.00 0.00 C ATOM 263 CD PRO A 19 7.865 -10.512 1.723 1.00 0.00 C ATOM 0 HA PRO A 19 8.213 -8.975 -1.129 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.723 -10.159 -0.791 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.161 -11.140 -0.994 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.726 -10.387 1.545 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.392 -11.939 1.077 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.716 -10.273 2.776 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.577 -11.336 1.681 1.00 0.00 H new ATOM 271 N ARG A 20 7.285 -6.733 -0.514 1.00 0.00 N ATOM 272 CA ARG A 20 6.561 -5.469 -0.483 1.00 0.00 C ATOM 273 C ARG A 20 6.149 -5.043 -1.890 1.00 0.00 C ATOM 274 O ARG A 20 6.908 -5.208 -2.845 1.00 0.00 O ATOM 275 CB ARG A 20 7.422 -4.380 0.160 1.00 0.00 C ATOM 276 CG ARG A 20 8.563 -3.905 -0.725 1.00 0.00 C ATOM 277 CD ARG A 20 9.178 -2.618 -0.197 1.00 0.00 C ATOM 278 NE ARG A 20 10.578 -2.479 -0.590 1.00 0.00 N ATOM 279 CZ ARG A 20 11.550 -3.261 -0.133 1.00 0.00 C ATOM 280 NH1 ARG A 20 11.276 -4.233 0.727 1.00 0.00 N ATOM 281 NH2 ARG A 20 12.799 -3.073 -0.536 1.00 0.00 N ATOM 0 H ARG A 20 8.261 -6.654 -0.801 1.00 0.00 H new ATOM 0 HA ARG A 20 5.660 -5.610 0.113 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.789 -3.529 0.411 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.833 -4.758 1.096 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.328 -4.679 -0.781 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.196 -3.745 -1.739 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.610 -1.765 -0.570 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.103 -2.600 0.890 1.00 0.00 H new ATOM 0 HE ARG A 20 10.823 -1.742 -1.251 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.317 -4.382 1.040 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.025 -4.831 1.076 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.015 -2.327 -1.198 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.544 -3.674 -0.184 1.00 0.00 H new ATOM 295 N CYS A 21 4.945 -4.496 -2.008 1.00 0.00 N ATOM 296 CA CYS A 21 4.432 -4.047 -3.298 1.00 0.00 C ATOM 297 C CYS A 21 3.801 -2.664 -3.181 1.00 0.00 C ATOM 298 O CYS A 21 2.752 -2.502 -2.559 1.00 0.00 O ATOM 299 CB CYS A 21 3.407 -5.045 -3.837 1.00 0.00 C ATOM 300 SG CYS A 21 4.083 -6.688 -4.174 1.00 0.00 S ATOM 0 H CYS A 21 4.305 -4.352 -1.227 1.00 0.00 H new ATOM 0 HA CYS A 21 5.269 -3.986 -3.993 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.594 -5.139 -3.117 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.975 -4.646 -4.755 1.00 0.00 H new ATOM 0 HG CYS A 21 3.297 -7.321 -4.994 1.00 0.00 H new ATOM 306 N GLU A 22 4.448 -1.671 -3.782 1.00 0.00 N ATOM 307 CA GLU A 22 3.951 -0.301 -3.742 1.00 0.00 C ATOM 308 C GLU A 22 3.299 0.080 -5.069 1.00 0.00 C ATOM 309 O GLU A 22 3.681 -0.420 -6.126 1.00 0.00 O ATOM 310 CB GLU A 22 5.089 0.671 -3.425 1.00 0.00 C ATOM 311 CG GLU A 22 4.891 2.056 -4.016 1.00 0.00 C ATOM 312 CD GLU A 22 3.836 2.860 -3.280 1.00 0.00 C ATOM 313 OE1 GLU A 22 4.097 3.263 -2.128 1.00 0.00 O ATOM 314 OE2 GLU A 22 2.752 3.084 -3.857 1.00 0.00 O ATOM 0 H GLU A 22 5.317 -1.789 -4.302 1.00 0.00 H new ATOM 0 HA GLU A 22 3.200 -0.238 -2.955 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.190 0.758 -2.343 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.025 0.256 -3.800 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.837 2.596 -3.991 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.605 1.962 -5.064 1.00 0.00 H new ATOM 321 N ASP A 23 2.311 0.966 -5.002 1.00 0.00 N ATOM 322 CA ASP A 23 1.605 1.414 -6.197 1.00 0.00 C ATOM 323 C ASP A 23 0.841 0.262 -6.842 1.00 0.00 C ATOM 324 O ASP A 23 1.019 -0.030 -8.025 1.00 0.00 O ATOM 325 CB ASP A 23 2.589 2.016 -7.202 1.00 0.00 C ATOM 326 CG ASP A 23 3.327 3.216 -6.642 1.00 0.00 C ATOM 327 OD1 ASP A 23 2.668 4.090 -6.043 1.00 0.00 O ATOM 328 OD2 ASP A 23 4.564 3.281 -6.804 1.00 0.00 O ATOM 0 H ASP A 23 1.981 1.388 -4.134 1.00 0.00 H new ATOM 0 HA ASP A 23 0.888 2.179 -5.899 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.311 1.255 -7.499 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.049 2.312 -8.102 1.00 0.00 H new ATOM 333 N VAL A 24 -0.008 -0.392 -6.056 1.00 0.00 N ATOM 334 CA VAL A 24 -0.799 -1.513 -6.549 1.00 0.00 C ATOM 335 C VAL A 24 -2.290 -1.259 -6.360 1.00 0.00 C ATOM 336 O VAL A 24 -2.854 -1.575 -5.312 1.00 0.00 O ATOM 337 CB VAL A 24 -0.417 -2.825 -5.839 1.00 0.00 C ATOM 338 CG1 VAL A 24 0.977 -3.272 -6.254 1.00 0.00 C ATOM 339 CG2 VAL A 24 -0.505 -2.658 -4.330 1.00 0.00 C ATOM 0 H VAL A 24 -0.166 -0.165 -5.074 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.583 -1.609 -7.613 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.124 -3.599 -6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.229 -4.201 -5.742 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.001 -3.434 -7.332 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.701 -2.502 -5.986 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.232 -3.595 -3.844 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.178 -1.871 -4.011 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.524 -2.389 -4.053 1.00 0.00 H new ATOM 349 N GLU A 25 -2.923 -0.690 -7.380 1.00 0.00 N ATOM 350 CA GLU A 25 -4.350 -0.394 -7.324 1.00 0.00 C ATOM 351 C GLU A 25 -5.142 -1.619 -6.877 1.00 0.00 C ATOM 352 O GLU A 25 -5.007 -2.702 -7.448 1.00 0.00 O ATOM 353 CB GLU A 25 -4.849 0.080 -8.690 1.00 0.00 C ATOM 354 CG GLU A 25 -4.043 1.232 -9.267 1.00 0.00 C ATOM 355 CD GLU A 25 -4.637 1.772 -10.554 1.00 0.00 C ATOM 356 OE1 GLU A 25 -5.577 2.590 -10.475 1.00 0.00 O ATOM 357 OE2 GLU A 25 -4.160 1.377 -11.638 1.00 0.00 O ATOM 0 H GLU A 25 -2.471 -0.425 -8.255 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.502 0.401 -6.594 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.821 -0.757 -9.388 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.891 0.386 -8.600 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.987 2.035 -8.532 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.022 0.899 -9.454 1.00 0.00 H new ATOM 364 N THR A 26 -5.970 -1.441 -5.853 1.00 0.00 N ATOM 365 CA THR A 26 -6.783 -2.530 -5.327 1.00 0.00 C ATOM 366 C THR A 26 -7.906 -2.893 -6.293 1.00 0.00 C ATOM 367 O THR A 26 -7.987 -2.353 -7.396 1.00 0.00 O ATOM 368 CB THR A 26 -7.395 -2.167 -3.961 1.00 0.00 C ATOM 369 OG1 THR A 26 -8.317 -1.083 -4.109 1.00 0.00 O ATOM 370 CG2 THR A 26 -6.308 -1.782 -2.967 1.00 0.00 C ATOM 0 H THR A 26 -6.095 -0.551 -5.371 1.00 0.00 H new ATOM 0 HA THR A 26 -6.121 -3.387 -5.203 1.00 0.00 H new ATOM 0 HB THR A 26 -7.922 -3.042 -3.580 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.703 -0.860 -3.236 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.763 -1.530 -2.009 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.624 -2.620 -2.834 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.758 -0.921 -3.345 1.00 0.00 H new ATOM 378 N ALA A 27 -8.769 -3.811 -5.870 1.00 0.00 N ATOM 379 CA ALA A 27 -9.889 -4.244 -6.698 1.00 0.00 C ATOM 380 C ALA A 27 -10.648 -3.048 -7.263 1.00 0.00 C ATOM 381 O ALA A 27 -10.906 -2.978 -8.465 1.00 0.00 O ATOM 382 CB ALA A 27 -10.826 -5.134 -5.894 1.00 0.00 C ATOM 0 H ALA A 27 -8.715 -4.269 -4.960 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.490 -4.817 -7.535 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.657 -5.450 -6.524 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.283 -6.011 -5.543 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.210 -4.579 -5.038 1.00 0.00 H new ATOM 388 N GLU A 28 -11.003 -2.111 -6.390 1.00 0.00 N ATOM 389 CA GLU A 28 -11.734 -0.919 -6.804 1.00 0.00 C ATOM 390 C GLU A 28 -10.849 -0.001 -7.641 1.00 0.00 C ATOM 391 O GLU A 28 -11.305 0.608 -8.608 1.00 0.00 O ATOM 392 CB GLU A 28 -12.259 -0.165 -5.580 1.00 0.00 C ATOM 393 CG GLU A 28 -11.159 0.382 -4.686 1.00 0.00 C ATOM 394 CD GLU A 28 -11.668 1.417 -3.701 1.00 0.00 C ATOM 395 OE1 GLU A 28 -12.792 1.924 -3.900 1.00 0.00 O ATOM 396 OE2 GLU A 28 -10.943 1.720 -2.731 1.00 0.00 O ATOM 0 H GLU A 28 -10.796 -2.154 -5.392 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.579 -1.236 -7.416 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.888 0.660 -5.914 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.892 -0.833 -4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.699 -0.440 -4.138 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.380 0.827 -5.305 1.00 0.00 H new ATOM 403 N GLY A 29 -9.578 0.093 -7.261 1.00 0.00 N ATOM 404 CA GLY A 29 -8.649 0.940 -7.985 1.00 0.00 C ATOM 405 C GLY A 29 -8.008 1.991 -7.100 1.00 0.00 C ATOM 406 O GLY A 29 -8.022 3.178 -7.423 1.00 0.00 O ATOM 0 H GLY A 29 -9.176 -0.402 -6.465 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.870 0.321 -8.430 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.174 1.431 -8.805 1.00 0.00 H new ATOM 410 N VAL A 30 -7.448 1.554 -5.976 1.00 0.00 N ATOM 411 CA VAL A 30 -6.801 2.464 -5.040 1.00 0.00 C ATOM 412 C VAL A 30 -5.430 1.944 -4.624 1.00 0.00 C ATOM 413 O VAL A 30 -5.307 1.197 -3.654 1.00 0.00 O ATOM 414 CB VAL A 30 -7.661 2.678 -3.780 1.00 0.00 C ATOM 415 CG1 VAL A 30 -6.875 3.433 -2.718 1.00 0.00 C ATOM 416 CG2 VAL A 30 -8.945 3.416 -4.130 1.00 0.00 C ATOM 0 H VAL A 30 -7.430 0.574 -5.692 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.683 3.416 -5.557 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.929 1.702 -3.374 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.499 3.575 -1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.988 2.861 -2.447 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.575 4.405 -3.110 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.540 3.558 -3.228 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.701 4.387 -4.561 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.515 2.832 -4.852 1.00 0.00 H new ATOM 426 N ALA A 31 -4.402 2.344 -5.365 1.00 0.00 N ATOM 427 CA ALA A 31 -3.038 1.920 -5.072 1.00 0.00 C ATOM 428 C ALA A 31 -2.820 1.771 -3.570 1.00 0.00 C ATOM 429 O ALA A 31 -2.978 2.729 -2.812 1.00 0.00 O ATOM 430 CB ALA A 31 -2.041 2.909 -5.657 1.00 0.00 C ATOM 0 H ALA A 31 -4.488 2.961 -6.173 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.879 0.945 -5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.027 2.580 -5.431 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.173 2.962 -6.738 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.208 3.894 -5.222 1.00 0.00 H new ATOM 436 N LEU A 32 -2.458 0.566 -3.147 1.00 0.00 N ATOM 437 CA LEU A 32 -2.218 0.292 -1.733 1.00 0.00 C ATOM 438 C LEU A 32 -0.767 -0.112 -1.496 1.00 0.00 C ATOM 439 O LEU A 32 -0.181 -0.857 -2.282 1.00 0.00 O ATOM 440 CB LEU A 32 -3.154 -0.814 -1.242 1.00 0.00 C ATOM 441 CG LEU A 32 -3.679 -0.664 0.186 1.00 0.00 C ATOM 442 CD1 LEU A 32 -2.605 -0.079 1.090 1.00 0.00 C ATOM 443 CD2 LEU A 32 -4.928 0.205 0.207 1.00 0.00 C ATOM 0 H LEU A 32 -2.324 -0.237 -3.761 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.418 1.205 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.008 -0.867 -1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.629 -1.766 -1.317 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.943 -1.653 0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.996 0.021 2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.738 -0.740 1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.310 0.902 0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.288 0.301 1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.691 1.193 -0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.702 -0.255 -0.408 1.00 0.00 H new ATOM 455 N THR A 33 -0.191 0.383 -0.404 1.00 0.00 N ATOM 456 CA THR A 33 1.191 0.073 -0.061 1.00 0.00 C ATOM 457 C THR A 33 1.262 -0.993 1.025 1.00 0.00 C ATOM 458 O THR A 33 0.850 -0.764 2.162 1.00 0.00 O ATOM 459 CB THR A 33 1.945 1.328 0.417 1.00 0.00 C ATOM 460 OG1 THR A 33 1.509 2.474 -0.323 1.00 0.00 O ATOM 461 CG2 THR A 33 3.447 1.153 0.250 1.00 0.00 C ATOM 0 H THR A 33 -0.661 1.001 0.258 1.00 0.00 H new ATOM 0 HA THR A 33 1.665 -0.304 -0.967 1.00 0.00 H new ATOM 0 HB THR A 33 1.727 1.474 1.475 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.663 2.801 0.049 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.959 2.052 0.594 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.781 0.298 0.837 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.679 0.984 -0.801 1.00 0.00 H new ATOM 469 N VAL A 34 1.789 -2.160 0.668 1.00 0.00 N ATOM 470 CA VAL A 34 1.916 -3.263 1.614 1.00 0.00 C ATOM 471 C VAL A 34 3.361 -3.738 1.713 1.00 0.00 C ATOM 472 O VAL A 34 3.942 -4.207 0.733 1.00 0.00 O ATOM 473 CB VAL A 34 1.023 -4.452 1.212 1.00 0.00 C ATOM 474 CG1 VAL A 34 1.175 -5.594 2.206 1.00 0.00 C ATOM 475 CG2 VAL A 34 -0.430 -4.015 1.109 1.00 0.00 C ATOM 0 H VAL A 34 2.135 -2.366 -0.269 1.00 0.00 H new ATOM 0 HA VAL A 34 1.593 -2.887 2.585 1.00 0.00 H new ATOM 0 HB VAL A 34 1.342 -4.809 0.233 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.537 -6.425 1.906 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.214 -5.923 2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.883 -5.253 3.199 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.047 -4.867 0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.764 -3.632 2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.522 -3.233 0.356 1.00 0.00 H new ATOM 485 N THR A 35 3.938 -3.614 2.905 1.00 0.00 N ATOM 486 CA THR A 35 5.316 -4.030 3.132 1.00 0.00 C ATOM 487 C THR A 35 5.448 -5.548 3.086 1.00 0.00 C ATOM 488 O THR A 35 6.184 -6.093 2.266 1.00 0.00 O ATOM 489 CB THR A 35 5.839 -3.522 4.489 1.00 0.00 C ATOM 490 OG1 THR A 35 5.659 -2.105 4.584 1.00 0.00 O ATOM 491 CG2 THR A 35 7.311 -3.863 4.665 1.00 0.00 C ATOM 0 H THR A 35 3.472 -3.229 3.727 1.00 0.00 H new ATOM 0 HA THR A 35 5.914 -3.592 2.333 1.00 0.00 H new ATOM 0 HB THR A 35 5.271 -4.014 5.279 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.992 -1.790 5.450 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.657 -3.494 5.630 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.442 -4.944 4.622 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.891 -3.395 3.869 1.00 0.00 H new ATOM 499 N GLY A 36 4.727 -6.227 3.974 1.00 0.00 N ATOM 500 CA GLY A 36 4.777 -7.677 4.017 1.00 0.00 C ATOM 501 C GLY A 36 6.109 -8.197 4.519 1.00 0.00 C ATOM 502 O GLY A 36 7.163 -7.666 4.168 1.00 0.00 O ATOM 0 H GLY A 36 4.110 -5.799 4.664 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.980 -8.046 4.663 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.588 -8.074 3.019 1.00 0.00 H new ATOM 506 N VAL A 37 6.063 -9.236 5.346 1.00 0.00 N ATOM 507 CA VAL A 37 7.276 -9.827 5.899 1.00 0.00 C ATOM 508 C VAL A 37 7.147 -11.342 6.010 1.00 0.00 C ATOM 509 O VAL A 37 6.271 -11.852 6.708 1.00 0.00 O ATOM 510 CB VAL A 37 7.600 -9.248 7.289 1.00 0.00 C ATOM 511 CG1 VAL A 37 8.567 -10.155 8.034 1.00 0.00 C ATOM 512 CG2 VAL A 37 8.167 -7.842 7.160 1.00 0.00 C ATOM 0 H VAL A 37 5.199 -9.686 5.648 1.00 0.00 H new ATOM 0 HA VAL A 37 8.088 -9.583 5.214 1.00 0.00 H new ATOM 0 HB VAL A 37 6.676 -9.192 7.865 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.784 -9.729 9.014 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.119 -11.141 8.158 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.492 -10.246 7.465 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.391 -7.447 8.151 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.081 -7.871 6.567 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.436 -7.199 6.670 1.00 0.00 H new ATOM 522 N ALA A 38 8.028 -12.057 5.318 1.00 0.00 N ATOM 523 CA ALA A 38 8.014 -13.516 5.341 1.00 0.00 C ATOM 524 C ALA A 38 9.431 -14.077 5.396 1.00 0.00 C ATOM 525 O ALA A 38 10.387 -13.414 4.991 1.00 0.00 O ATOM 526 CB ALA A 38 7.278 -14.056 4.123 1.00 0.00 C ATOM 0 H ALA A 38 8.760 -11.651 4.735 1.00 0.00 H new ATOM 0 HA ALA A 38 7.489 -13.836 6.241 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.275 -15.146 4.153 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.251 -13.690 4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.780 -13.719 3.216 1.00 0.00 H new ATOM 532 N GLN A 39 9.560 -15.299 5.901 1.00 0.00 N ATOM 533 CA GLN A 39 10.861 -15.948 6.012 1.00 0.00 C ATOM 534 C GLN A 39 11.000 -17.067 4.984 1.00 0.00 C ATOM 535 O GLN A 39 10.088 -17.875 4.804 1.00 0.00 O ATOM 536 CB GLN A 39 11.058 -16.506 7.422 1.00 0.00 C ATOM 537 CG GLN A 39 12.512 -16.533 7.867 1.00 0.00 C ATOM 538 CD GLN A 39 12.972 -15.207 8.440 1.00 0.00 C ATOM 539 OE1 GLN A 39 12.156 -14.356 8.798 1.00 0.00 O ATOM 540 NE2 GLN A 39 14.283 -15.023 8.529 1.00 0.00 N ATOM 0 H GLN A 39 8.779 -15.860 6.240 1.00 0.00 H new ATOM 0 HA GLN A 39 11.630 -15.201 5.815 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.482 -15.905 8.126 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.655 -17.518 7.463 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.644 -17.314 8.616 1.00 0.00 H new ATOM 0 HG3 GLN A 39 13.143 -16.796 7.018 1.00 0.00 H new ATOM 0 HE21 GLN A 39 14.923 -15.755 8.221 1.00 0.00 H new ATOM 0 HE22 GLN A 39 14.651 -14.150 8.906 1.00 0.00 H new ATOM 549 N VAL A 40 12.146 -17.107 4.312 1.00 0.00 N ATOM 550 CA VAL A 40 12.404 -18.127 3.303 1.00 0.00 C ATOM 551 C VAL A 40 13.791 -18.736 3.480 1.00 0.00 C ATOM 552 O VAL A 40 14.717 -18.073 3.948 1.00 0.00 O ATOM 553 CB VAL A 40 12.286 -17.552 1.880 1.00 0.00 C ATOM 554 CG1 VAL A 40 13.435 -16.598 1.591 1.00 0.00 C ATOM 555 CG2 VAL A 40 12.242 -18.675 0.854 1.00 0.00 C ATOM 0 H VAL A 40 12.910 -16.445 4.448 1.00 0.00 H new ATOM 0 HA VAL A 40 11.650 -18.902 3.437 1.00 0.00 H new ATOM 0 HB VAL A 40 11.355 -16.990 1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.334 -16.202 0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 40 13.414 -15.776 2.307 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.382 -17.131 1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.158 -18.251 -0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.155 -19.266 0.922 1.00 0.00 H new ATOM 0 HG23 VAL A 40 11.381 -19.314 1.050 1.00 0.00 H new ATOM 565 N LYS A 41 13.928 -20.002 3.101 1.00 0.00 N ATOM 566 CA LYS A 41 15.203 -20.701 3.216 1.00 0.00 C ATOM 567 C LYS A 41 15.403 -21.661 2.046 1.00 0.00 C ATOM 568 O LYS A 41 14.440 -22.204 1.505 1.00 0.00 O ATOM 569 CB LYS A 41 15.269 -21.471 4.537 1.00 0.00 C ATOM 570 CG LYS A 41 14.233 -22.576 4.651 1.00 0.00 C ATOM 571 CD LYS A 41 14.722 -23.708 5.538 1.00 0.00 C ATOM 572 CE LYS A 41 14.000 -25.010 5.228 1.00 0.00 C ATOM 573 NZ LYS A 41 14.850 -26.199 5.517 1.00 0.00 N ATOM 0 H LYS A 41 13.172 -20.565 2.712 1.00 0.00 H new ATOM 0 HA LYS A 41 16.000 -19.958 3.196 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.263 -21.904 4.646 1.00 0.00 H new ATOM 0 HB3 LYS A 41 15.134 -20.772 5.362 1.00 0.00 H new ATOM 0 HG2 LYS A 41 13.307 -22.168 5.057 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.002 -22.964 3.659 1.00 0.00 H new ATOM 0 HD2 LYS A 41 15.795 -23.843 5.399 1.00 0.00 H new ATOM 0 HD3 LYS A 41 14.567 -23.445 6.584 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.084 -25.067 5.817 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.705 -25.021 4.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.322 -27.066 5.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 15.712 -26.159 4.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.110 -26.203 6.524 1.00 0.00 H new ATOM 587 N ILE A 42 16.659 -21.864 1.662 1.00 0.00 N ATOM 588 CA ILE A 42 16.984 -22.760 0.560 1.00 0.00 C ATOM 589 C ILE A 42 16.749 -24.217 0.947 1.00 0.00 C ATOM 590 O ILE A 42 17.284 -24.699 1.944 1.00 0.00 O ATOM 591 CB ILE A 42 18.448 -22.590 0.110 1.00 0.00 C ATOM 592 CG1 ILE A 42 18.639 -21.237 -0.577 1.00 0.00 C ATOM 593 CG2 ILE A 42 18.851 -23.725 -0.820 1.00 0.00 C ATOM 594 CD1 ILE A 42 18.296 -21.253 -2.050 1.00 0.00 C ATOM 0 H ILE A 42 17.467 -21.420 2.098 1.00 0.00 H new ATOM 0 HA ILE A 42 16.324 -22.496 -0.267 1.00 0.00 H new ATOM 0 HB ILE A 42 19.090 -22.623 0.990 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.019 -20.494 -0.076 1.00 0.00 H new ATOM 0 HG13 ILE A 42 19.675 -20.921 -0.457 1.00 0.00 H new ATOM 0 HG21 ILE A 42 19.888 -23.591 -1.129 1.00 0.00 H new ATOM 0 HG22 ILE A 42 18.748 -24.677 -0.299 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.207 -23.721 -1.699 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.455 -20.260 -2.471 1.00 0.00 H new ATOM 0 HD12 ILE A 42 18.934 -21.972 -2.564 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.252 -21.538 -2.177 1.00 0.00 H new ATOM 606 N MET A 43 15.945 -24.912 0.149 1.00 0.00 N ATOM 607 CA MET A 43 15.641 -26.315 0.406 1.00 0.00 C ATOM 608 C MET A 43 16.919 -27.113 0.648 1.00 0.00 C ATOM 609 O MET A 43 18.024 -26.577 0.560 1.00 0.00 O ATOM 610 CB MET A 43 14.867 -26.915 -0.770 1.00 0.00 C ATOM 611 CG MET A 43 13.380 -26.603 -0.740 1.00 0.00 C ATOM 612 SD MET A 43 12.424 -27.669 -1.837 1.00 0.00 S ATOM 613 CE MET A 43 10.969 -26.660 -2.106 1.00 0.00 C ATOM 0 H MET A 43 15.493 -24.527 -0.680 1.00 0.00 H new ATOM 0 HA MET A 43 15.024 -26.369 1.303 1.00 0.00 H new ATOM 0 HB2 MET A 43 15.290 -26.540 -1.702 1.00 0.00 H new ATOM 0 HB3 MET A 43 15.003 -27.996 -0.770 1.00 0.00 H new ATOM 0 HG2 MET A 43 13.010 -26.712 0.280 1.00 0.00 H new ATOM 0 HG3 MET A 43 13.225 -25.562 -1.025 1.00 0.00 H new ATOM 0 HE1 MET A 43 10.076 -27.241 -1.875 1.00 0.00 H new ATOM 0 HE2 MET A 43 11.009 -25.783 -1.459 1.00 0.00 H new ATOM 0 HE3 MET A 43 10.935 -26.341 -3.148 1.00 0.00 H new ATOM 737 N VAL A 51 18.233 -28.491 -9.383 1.00 0.00 N ATOM 738 CA VAL A 51 17.074 -27.662 -9.692 1.00 0.00 C ATOM 739 C VAL A 51 17.262 -26.241 -9.174 1.00 0.00 C ATOM 740 O VAL A 51 16.822 -25.277 -9.802 1.00 0.00 O ATOM 741 CB VAL A 51 15.787 -28.251 -9.088 1.00 0.00 C ATOM 742 CG1 VAL A 51 15.913 -28.375 -7.576 1.00 0.00 C ATOM 743 CG2 VAL A 51 14.584 -27.398 -9.460 1.00 0.00 C ATOM 0 HA VAL A 51 16.980 -27.640 -10.778 1.00 0.00 H new ATOM 0 HB VAL A 51 15.639 -29.249 -9.500 1.00 0.00 H new ATOM 0 HG11 VAL A 51 14.993 -28.793 -7.167 1.00 0.00 H new ATOM 0 HG12 VAL A 51 16.749 -29.031 -7.333 1.00 0.00 H new ATOM 0 HG13 VAL A 51 16.087 -27.390 -7.143 1.00 0.00 H new ATOM 0 HG21 VAL A 51 13.683 -27.830 -9.024 1.00 0.00 H new ATOM 0 HG22 VAL A 51 14.723 -26.387 -9.078 1.00 0.00 H new ATOM 0 HG23 VAL A 51 14.483 -27.365 -10.545 1.00 0.00 H new ATOM 753 N ALA A 52 17.918 -26.116 -8.025 1.00 0.00 N ATOM 754 CA ALA A 52 18.167 -24.813 -7.424 1.00 0.00 C ATOM 755 C ALA A 52 19.623 -24.396 -7.599 1.00 0.00 C ATOM 756 O ALA A 52 19.986 -23.248 -7.338 1.00 0.00 O ATOM 757 CB ALA A 52 17.794 -24.832 -5.949 1.00 0.00 C ATOM 0 H ALA A 52 18.287 -26.903 -7.492 1.00 0.00 H new ATOM 0 HA ALA A 52 17.543 -24.080 -7.935 1.00 0.00 H new ATOM 0 HB1 ALA A 52 17.985 -23.852 -5.513 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.737 -25.076 -5.844 1.00 0.00 H new ATOM 0 HB3 ALA A 52 18.392 -25.582 -5.432 1.00 0.00 H new ATOM 763 N CYS A 53 20.454 -25.335 -8.038 1.00 0.00 N ATOM 764 CA CYS A 53 21.872 -25.066 -8.246 1.00 0.00 C ATOM 765 C CYS A 53 22.097 -24.313 -9.553 1.00 0.00 C ATOM 766 O CYS A 53 22.478 -23.143 -9.549 1.00 0.00 O ATOM 767 CB CYS A 53 22.665 -26.373 -8.253 1.00 0.00 C ATOM 768 SG CYS A 53 23.274 -26.876 -6.626 1.00 0.00 S ATOM 0 H CYS A 53 20.170 -26.290 -8.257 1.00 0.00 H new ATOM 0 HA CYS A 53 22.222 -24.442 -7.424 1.00 0.00 H new ATOM 0 HB2 CYS A 53 22.034 -27.166 -8.654 1.00 0.00 H new ATOM 0 HB3 CYS A 53 23.513 -26.267 -8.930 1.00 0.00 H new ATOM 0 HG CYS A 53 23.930 -27.993 -6.735 1.00 0.00 H new ATOM 774 N GLU A 54 21.860 -24.994 -10.671 1.00 0.00 N ATOM 775 CA GLU A 54 22.039 -24.389 -11.985 1.00 0.00 C ATOM 776 C GLU A 54 21.218 -23.109 -12.112 1.00 0.00 C ATOM 777 O GLU A 54 21.544 -22.228 -12.907 1.00 0.00 O ATOM 778 CB GLU A 54 21.637 -25.375 -13.084 1.00 0.00 C ATOM 779 CG GLU A 54 22.594 -26.547 -13.228 1.00 0.00 C ATOM 780 CD GLU A 54 22.214 -27.473 -14.367 1.00 0.00 C ATOM 781 OE1 GLU A 54 21.411 -28.400 -14.136 1.00 0.00 O ATOM 782 OE2 GLU A 54 22.721 -27.270 -15.490 1.00 0.00 O ATOM 0 H GLU A 54 21.544 -25.964 -10.692 1.00 0.00 H new ATOM 0 HA GLU A 54 23.093 -24.137 -12.099 1.00 0.00 H new ATOM 0 HB2 GLU A 54 20.638 -25.756 -12.871 1.00 0.00 H new ATOM 0 HB3 GLU A 54 21.580 -24.844 -14.034 1.00 0.00 H new ATOM 0 HG2 GLU A 54 23.603 -26.169 -13.393 1.00 0.00 H new ATOM 0 HG3 GLU A 54 22.613 -27.112 -12.296 1.00 0.00 H new ATOM 789 N GLN A 55 20.153 -23.014 -11.322 1.00 0.00 N ATOM 790 CA GLN A 55 19.285 -21.843 -11.347 1.00 0.00 C ATOM 791 C GLN A 55 19.938 -20.666 -10.629 1.00 0.00 C ATOM 792 O GLN A 55 19.632 -19.508 -10.908 1.00 0.00 O ATOM 793 CB GLN A 55 17.938 -22.166 -10.699 1.00 0.00 C ATOM 794 CG GLN A 55 16.950 -21.012 -10.740 1.00 0.00 C ATOM 795 CD GLN A 55 16.217 -20.919 -12.064 1.00 0.00 C ATOM 796 OE1 GLN A 55 16.347 -19.933 -12.791 1.00 0.00 O ATOM 797 NE2 GLN A 55 15.440 -21.947 -12.385 1.00 0.00 N ATOM 0 H GLN A 55 19.871 -23.734 -10.657 1.00 0.00 H new ATOM 0 HA GLN A 55 19.122 -21.565 -12.388 1.00 0.00 H new ATOM 0 HB2 GLN A 55 17.499 -23.027 -11.203 1.00 0.00 H new ATOM 0 HB3 GLN A 55 18.104 -22.455 -9.661 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.225 -21.131 -9.935 1.00 0.00 H new ATOM 0 HG3 GLN A 55 17.480 -20.078 -10.556 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.361 -22.744 -11.753 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.922 -21.940 -13.264 1.00 0.00 H new ATOM 806 N PHE A 56 20.840 -20.973 -9.702 1.00 0.00 N ATOM 807 CA PHE A 56 21.536 -19.940 -8.942 1.00 0.00 C ATOM 808 C PHE A 56 23.015 -19.895 -9.314 1.00 0.00 C ATOM 809 O PHE A 56 23.514 -18.882 -9.805 1.00 0.00 O ATOM 810 CB PHE A 56 21.383 -20.191 -7.441 1.00 0.00 C ATOM 811 CG PHE A 56 19.955 -20.353 -7.003 1.00 0.00 C ATOM 812 CD1 PHE A 56 18.922 -19.801 -7.744 1.00 0.00 C ATOM 813 CD2 PHE A 56 19.646 -21.056 -5.851 1.00 0.00 C ATOM 814 CE1 PHE A 56 17.607 -19.948 -7.344 1.00 0.00 C ATOM 815 CE2 PHE A 56 18.333 -21.208 -5.445 1.00 0.00 C ATOM 816 CZ PHE A 56 17.312 -20.652 -6.192 1.00 0.00 C ATOM 0 H PHE A 56 21.106 -21.927 -9.459 1.00 0.00 H new ATOM 0 HA PHE A 56 21.088 -18.978 -9.189 1.00 0.00 H new ATOM 0 HB2 PHE A 56 21.941 -21.088 -7.172 1.00 0.00 H new ATOM 0 HB3 PHE A 56 21.830 -19.361 -6.894 1.00 0.00 H new ATOM 0 HD1 PHE A 56 19.147 -19.249 -8.645 1.00 0.00 H new ATOM 0 HD2 PHE A 56 20.440 -21.491 -5.262 1.00 0.00 H new ATOM 0 HE1 PHE A 56 16.811 -19.513 -7.931 1.00 0.00 H new ATOM 0 HE2 PHE A 56 18.106 -21.761 -4.545 1.00 0.00 H new ATOM 0 HZ PHE A 56 16.286 -20.767 -5.876 1.00 0.00 H new ATOM 904 N GLN A 62 22.780 -11.602 -4.710 1.00 0.00 N ATOM 905 CA GLN A 62 21.696 -10.651 -4.924 1.00 0.00 C ATOM 906 C GLN A 62 20.604 -11.258 -5.798 1.00 0.00 C ATOM 907 O GLN A 62 19.414 -11.060 -5.549 1.00 0.00 O ATOM 908 CB GLN A 62 22.232 -9.372 -5.572 1.00 0.00 C ATOM 909 CG GLN A 62 22.983 -8.470 -4.606 1.00 0.00 C ATOM 910 CD GLN A 62 24.051 -7.642 -5.293 1.00 0.00 C ATOM 911 OE1 GLN A 62 24.651 -8.075 -6.277 1.00 0.00 O ATOM 912 NE2 GLN A 62 24.295 -6.445 -4.775 1.00 0.00 N ATOM 0 HA GLN A 62 21.265 -10.406 -3.953 1.00 0.00 H new ATOM 0 HB2 GLN A 62 22.895 -9.641 -6.395 1.00 0.00 H new ATOM 0 HB3 GLN A 62 21.399 -8.816 -6.003 1.00 0.00 H new ATOM 0 HG2 GLN A 62 22.275 -7.805 -4.111 1.00 0.00 H new ATOM 0 HG3 GLN A 62 23.445 -9.080 -3.829 1.00 0.00 H new ATOM 0 HE21 GLN A 62 23.773 -6.127 -3.958 1.00 0.00 H new ATOM 0 HE22 GLN A 62 25.004 -5.843 -5.193 1.00 0.00 H new ATOM 921 N ASP A 63 21.015 -11.999 -6.822 1.00 0.00 N ATOM 922 CA ASP A 63 20.070 -12.636 -7.732 1.00 0.00 C ATOM 923 C ASP A 63 19.108 -13.541 -6.970 1.00 0.00 C ATOM 924 O ASP A 63 17.895 -13.328 -6.988 1.00 0.00 O ATOM 925 CB ASP A 63 20.819 -13.444 -8.792 1.00 0.00 C ATOM 926 CG ASP A 63 19.931 -14.466 -9.475 1.00 0.00 C ATOM 927 OD1 ASP A 63 19.123 -14.067 -10.341 1.00 0.00 O ATOM 928 OD2 ASP A 63 20.044 -15.665 -9.145 1.00 0.00 O ATOM 0 H ASP A 63 21.996 -12.173 -7.042 1.00 0.00 H new ATOM 0 HA ASP A 63 19.491 -11.854 -8.223 1.00 0.00 H new ATOM 0 HB2 ASP A 63 21.229 -12.765 -9.540 1.00 0.00 H new ATOM 0 HB3 ASP A 63 21.663 -13.953 -8.327 1.00 0.00 H new ATOM 933 N ILE A 64 19.656 -14.552 -6.303 1.00 0.00 N ATOM 934 CA ILE A 64 18.846 -15.489 -5.536 1.00 0.00 C ATOM 935 C ILE A 64 17.722 -14.768 -4.797 1.00 0.00 C ATOM 936 O ILE A 64 16.543 -15.020 -5.041 1.00 0.00 O ATOM 937 CB ILE A 64 19.698 -16.267 -4.516 1.00 0.00 C ATOM 938 CG1 ILE A 64 20.547 -17.322 -5.228 1.00 0.00 C ATOM 939 CG2 ILE A 64 18.808 -16.915 -3.467 1.00 0.00 C ATOM 940 CD1 ILE A 64 21.885 -16.801 -5.704 1.00 0.00 C ATOM 0 H ILE A 64 20.658 -14.742 -6.279 1.00 0.00 H new ATOM 0 HA ILE A 64 18.417 -16.192 -6.250 1.00 0.00 H new ATOM 0 HB ILE A 64 20.367 -15.568 -4.014 1.00 0.00 H new ATOM 0 HG12 ILE A 64 20.713 -18.160 -4.551 1.00 0.00 H new ATOM 0 HG13 ILE A 64 19.991 -17.707 -6.083 1.00 0.00 H new ATOM 0 HG21 ILE A 64 19.425 -17.461 -2.753 1.00 0.00 H new ATOM 0 HG22 ILE A 64 18.243 -16.144 -2.943 1.00 0.00 H new ATOM 0 HG23 ILE A 64 18.117 -17.605 -3.952 1.00 0.00 H new ATOM 0 HD11 ILE A 64 22.432 -17.603 -6.199 1.00 0.00 H new ATOM 0 HD12 ILE A 64 21.728 -15.982 -6.406 1.00 0.00 H new ATOM 0 HD13 ILE A 64 22.460 -16.442 -4.851 1.00 0.00 H new ATOM 952 N LYS A 65 18.098 -13.869 -3.894 1.00 0.00 N ATOM 953 CA LYS A 65 17.123 -13.108 -3.121 1.00 0.00 C ATOM 954 C LYS A 65 16.029 -12.550 -4.024 1.00 0.00 C ATOM 955 O LYS A 65 14.844 -12.624 -3.699 1.00 0.00 O ATOM 956 CB LYS A 65 17.815 -11.964 -2.374 1.00 0.00 C ATOM 957 CG LYS A 65 18.309 -12.353 -0.991 1.00 0.00 C ATOM 958 CD LYS A 65 19.684 -12.996 -1.051 1.00 0.00 C ATOM 959 CE LYS A 65 20.194 -13.349 0.338 1.00 0.00 C ATOM 960 NZ LYS A 65 21.633 -13.736 0.318 1.00 0.00 N ATOM 0 H LYS A 65 19.071 -13.649 -3.679 1.00 0.00 H new ATOM 0 HA LYS A 65 16.664 -13.782 -2.398 1.00 0.00 H new ATOM 0 HB2 LYS A 65 18.659 -11.612 -2.967 1.00 0.00 H new ATOM 0 HB3 LYS A 65 17.121 -11.129 -2.281 1.00 0.00 H new ATOM 0 HG2 LYS A 65 18.347 -11.468 -0.355 1.00 0.00 H new ATOM 0 HG3 LYS A 65 17.602 -13.045 -0.532 1.00 0.00 H new ATOM 0 HD2 LYS A 65 19.640 -13.897 -1.663 1.00 0.00 H new ATOM 0 HD3 LYS A 65 20.384 -12.316 -1.535 1.00 0.00 H new ATOM 0 HE2 LYS A 65 20.056 -12.497 1.003 1.00 0.00 H new ATOM 0 HE3 LYS A 65 19.603 -14.169 0.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 21.943 -13.969 1.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 21.761 -14.565 -0.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 22.200 -12.944 -0.046 1.00 0.00 H new ATOM 974 N ASN A 66 16.432 -11.992 -5.162 1.00 0.00 N ATOM 975 CA ASN A 66 15.484 -11.423 -6.112 1.00 0.00 C ATOM 976 C ASN A 66 14.552 -12.499 -6.662 1.00 0.00 C ATOM 977 O ASN A 66 13.336 -12.435 -6.478 1.00 0.00 O ATOM 978 CB ASN A 66 16.230 -10.742 -7.262 1.00 0.00 C ATOM 979 CG ASN A 66 16.684 -9.340 -6.907 1.00 0.00 C ATOM 980 OD1 ASN A 66 15.867 -8.437 -6.727 1.00 0.00 O ATOM 981 ND2 ASN A 66 17.995 -9.151 -6.803 1.00 0.00 N ATOM 0 H ASN A 66 17.409 -11.922 -5.448 1.00 0.00 H new ATOM 0 HA ASN A 66 14.883 -10.681 -5.587 1.00 0.00 H new ATOM 0 HB2 ASN A 66 17.097 -11.343 -7.535 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.582 -10.700 -8.138 1.00 0.00 H new ATOM 0 HD21 ASN A 66 18.360 -8.229 -6.565 1.00 0.00 H new ATOM 0 HD22 ASN A 66 18.636 -9.928 -6.961 1.00 0.00 H new ATOM 988 N VAL A 67 15.131 -13.486 -7.338 1.00 0.00 N ATOM 989 CA VAL A 67 14.354 -14.578 -7.913 1.00 0.00 C ATOM 990 C VAL A 67 13.253 -15.029 -6.960 1.00 0.00 C ATOM 991 O VAL A 67 12.089 -15.141 -7.347 1.00 0.00 O ATOM 992 CB VAL A 67 15.248 -15.784 -8.256 1.00 0.00 C ATOM 993 CG1 VAL A 67 14.416 -16.916 -8.838 1.00 0.00 C ATOM 994 CG2 VAL A 67 16.351 -15.372 -9.219 1.00 0.00 C ATOM 0 H VAL A 67 16.136 -13.552 -7.501 1.00 0.00 H new ATOM 0 HA VAL A 67 13.904 -14.198 -8.830 1.00 0.00 H new ATOM 0 HB VAL A 67 15.714 -16.142 -7.338 1.00 0.00 H new ATOM 0 HG11 VAL A 67 15.064 -17.760 -9.074 1.00 0.00 H new ATOM 0 HG12 VAL A 67 13.666 -17.227 -8.111 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.920 -16.574 -9.746 1.00 0.00 H new ATOM 0 HG21 VAL A 67 16.973 -16.236 -9.451 1.00 0.00 H new ATOM 0 HG22 VAL A 67 15.907 -14.988 -10.137 1.00 0.00 H new ATOM 0 HG23 VAL A 67 16.964 -14.596 -8.760 1.00 0.00 H new ATOM 1004 N VAL A 68 13.628 -15.288 -5.711 1.00 0.00 N ATOM 1005 CA VAL A 68 12.672 -15.726 -4.701 1.00 0.00 C ATOM 1006 C VAL A 68 11.660 -14.629 -4.389 1.00 0.00 C ATOM 1007 O VAL A 68 10.451 -14.829 -4.515 1.00 0.00 O ATOM 1008 CB VAL A 68 13.381 -16.140 -3.398 1.00 0.00 C ATOM 1009 CG1 VAL A 68 12.370 -16.621 -2.368 1.00 0.00 C ATOM 1010 CG2 VAL A 68 14.422 -17.214 -3.678 1.00 0.00 C ATOM 0 H VAL A 68 14.587 -15.202 -5.375 1.00 0.00 H new ATOM 0 HA VAL A 68 12.151 -16.590 -5.113 1.00 0.00 H new ATOM 0 HB VAL A 68 13.891 -15.268 -2.989 1.00 0.00 H new ATOM 0 HG11 VAL A 68 12.890 -16.909 -1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.666 -15.819 -2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.828 -17.480 -2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.914 -17.495 -2.747 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.935 -18.088 -4.110 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.163 -16.828 -4.378 1.00 0.00 H new ATOM 1020 N LEU A 69 12.161 -13.469 -3.981 1.00 0.00 N ATOM 1021 CA LEU A 69 11.301 -12.337 -3.650 1.00 0.00 C ATOM 1022 C LEU A 69 10.230 -12.137 -4.718 1.00 0.00 C ATOM 1023 O LEU A 69 9.104 -11.746 -4.415 1.00 0.00 O ATOM 1024 CB LEU A 69 12.136 -11.063 -3.504 1.00 0.00 C ATOM 1025 CG LEU A 69 11.350 -9.758 -3.369 1.00 0.00 C ATOM 1026 CD1 LEU A 69 10.787 -9.617 -1.963 1.00 0.00 C ATOM 1027 CD2 LEU A 69 12.231 -8.567 -3.715 1.00 0.00 C ATOM 0 H LEU A 69 13.159 -13.287 -3.871 1.00 0.00 H new ATOM 0 HA LEU A 69 10.807 -12.551 -2.702 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.776 -11.170 -2.629 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.792 -10.981 -4.371 1.00 0.00 H new ATOM 0 HG LEU A 69 10.516 -9.784 -4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.231 -8.683 -1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.121 -10.454 -1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.605 -9.613 -1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.655 -7.647 -3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.085 -8.537 -3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.585 -8.662 -4.742 1.00 0.00 H new ATOM 1039 N GLN A 70 10.592 -12.409 -5.968 1.00 0.00 N ATOM 1040 CA GLN A 70 9.660 -12.260 -7.081 1.00 0.00 C ATOM 1041 C GLN A 70 8.422 -13.125 -6.874 1.00 0.00 C ATOM 1042 O GLN A 70 7.310 -12.614 -6.730 1.00 0.00 O ATOM 1043 CB GLN A 70 10.343 -12.632 -8.399 1.00 0.00 C ATOM 1044 CG GLN A 70 11.428 -11.654 -8.819 1.00 0.00 C ATOM 1045 CD GLN A 70 12.300 -12.194 -9.934 1.00 0.00 C ATOM 1046 OE1 GLN A 70 12.218 -13.371 -10.288 1.00 0.00 O ATOM 1047 NE2 GLN A 70 13.143 -11.336 -10.497 1.00 0.00 N ATOM 0 H GLN A 70 11.521 -12.733 -6.235 1.00 0.00 H new ATOM 0 HA GLN A 70 9.348 -11.216 -7.124 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.779 -13.627 -8.305 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.591 -12.687 -9.186 1.00 0.00 H new ATOM 0 HG2 GLN A 70 10.966 -10.722 -9.144 1.00 0.00 H new ATOM 0 HG3 GLN A 70 12.052 -11.417 -7.957 1.00 0.00 H new ATOM 0 HE21 GLN A 70 13.179 -10.369 -10.173 1.00 0.00 H new ATOM 0 HE22 GLN A 70 13.755 -11.644 -11.253 1.00 0.00 H new ATOM 1056 N THR A 71 8.620 -14.440 -6.859 1.00 0.00 N ATOM 1057 CA THR A 71 7.519 -15.377 -6.672 1.00 0.00 C ATOM 1058 C THR A 71 6.503 -14.838 -5.673 1.00 0.00 C ATOM 1059 O THR A 71 5.338 -14.624 -6.011 1.00 0.00 O ATOM 1060 CB THR A 71 8.026 -16.748 -6.184 1.00 0.00 C ATOM 1061 OG1 THR A 71 9.137 -17.172 -6.981 1.00 0.00 O ATOM 1062 CG2 THR A 71 6.918 -17.789 -6.252 1.00 0.00 C ATOM 0 H THR A 71 9.533 -14.880 -6.974 1.00 0.00 H new ATOM 0 HA THR A 71 7.039 -15.500 -7.643 1.00 0.00 H new ATOM 0 HB THR A 71 8.344 -16.646 -5.146 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.156 -18.151 -7.021 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.299 -18.749 -5.903 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.086 -17.477 -5.620 1.00 0.00 H new ATOM 0 HG23 THR A 71 6.574 -17.888 -7.282 1.00 0.00 H new ATOM 1070 N LEU A 72 6.950 -14.618 -4.441 1.00 0.00 N ATOM 1071 CA LEU A 72 6.078 -14.103 -3.391 1.00 0.00 C ATOM 1072 C LEU A 72 5.504 -12.744 -3.779 1.00 0.00 C ATOM 1073 O LEU A 72 4.313 -12.492 -3.607 1.00 0.00 O ATOM 1074 CB LEU A 72 6.848 -13.988 -2.074 1.00 0.00 C ATOM 1075 CG LEU A 72 7.448 -15.285 -1.531 1.00 0.00 C ATOM 1076 CD1 LEU A 72 8.363 -14.998 -0.351 1.00 0.00 C ATOM 1077 CD2 LEU A 72 6.346 -16.255 -1.129 1.00 0.00 C ATOM 0 H LEU A 72 7.911 -14.788 -4.145 1.00 0.00 H new ATOM 0 HA LEU A 72 5.252 -14.802 -3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.654 -13.267 -2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.177 -13.578 -1.319 1.00 0.00 H new ATOM 0 HG LEU A 72 8.041 -15.746 -2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.780 -15.933 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.172 -14.341 -0.669 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.793 -14.514 0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.791 -17.173 -0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.726 -15.801 -0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.730 -16.487 -1.998 1.00 0.00 H new ATOM 1089 N GLU A 73 6.361 -11.873 -4.303 1.00 0.00 N ATOM 1090 CA GLU A 73 5.938 -10.541 -4.715 1.00 0.00 C ATOM 1091 C GLU A 73 4.830 -10.621 -5.761 1.00 0.00 C ATOM 1092 O GLU A 73 3.678 -10.284 -5.489 1.00 0.00 O ATOM 1093 CB GLU A 73 7.126 -9.753 -5.275 1.00 0.00 C ATOM 1094 CG GLU A 73 7.882 -8.964 -4.221 1.00 0.00 C ATOM 1095 CD GLU A 73 8.700 -7.833 -4.815 1.00 0.00 C ATOM 1096 OE1 GLU A 73 9.266 -8.025 -5.912 1.00 0.00 O ATOM 1097 OE2 GLU A 73 8.777 -6.759 -4.184 1.00 0.00 O ATOM 0 H GLU A 73 7.351 -12.066 -4.452 1.00 0.00 H new ATOM 0 HA GLU A 73 5.550 -10.024 -3.837 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.813 -10.445 -5.762 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.767 -9.067 -6.043 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.174 -8.556 -3.500 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.542 -9.636 -3.673 1.00 0.00 H new ATOM 1104 N GLY A 74 5.188 -11.070 -6.960 1.00 0.00 N ATOM 1105 CA GLY A 74 4.212 -11.187 -8.029 1.00 0.00 C ATOM 1106 C GLY A 74 2.854 -11.637 -7.530 1.00 0.00 C ATOM 1107 O GLY A 74 1.835 -11.020 -7.840 1.00 0.00 O ATOM 0 H GLY A 74 6.135 -11.355 -7.211 1.00 0.00 H new ATOM 0 HA2 GLY A 74 4.110 -10.224 -8.530 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.576 -11.897 -8.772 1.00 0.00 H new ATOM 1111 N HIS A 75 2.839 -12.716 -6.754 1.00 0.00 N ATOM 1112 CA HIS A 75 1.594 -13.249 -6.211 1.00 0.00 C ATOM 1113 C HIS A 75 0.901 -12.216 -5.328 1.00 0.00 C ATOM 1114 O HIS A 75 -0.326 -12.106 -5.329 1.00 0.00 O ATOM 1115 CB HIS A 75 1.867 -14.522 -5.409 1.00 0.00 C ATOM 1116 CG HIS A 75 2.262 -15.691 -6.257 1.00 0.00 C ATOM 1117 ND1 HIS A 75 1.518 -16.124 -7.335 1.00 0.00 N ATOM 1118 CD2 HIS A 75 3.331 -16.518 -6.184 1.00 0.00 C ATOM 1119 CE1 HIS A 75 2.111 -17.168 -7.886 1.00 0.00 C ATOM 1120 NE2 HIS A 75 3.215 -17.427 -7.206 1.00 0.00 N ATOM 0 H HIS A 75 3.674 -13.238 -6.487 1.00 0.00 H new ATOM 0 HA HIS A 75 0.935 -13.489 -7.045 1.00 0.00 H new ATOM 0 HB2 HIS A 75 2.659 -14.324 -4.687 1.00 0.00 H new ATOM 0 HB3 HIS A 75 0.974 -14.782 -4.840 1.00 0.00 H new ATOM 0 HD1 HIS A 75 0.646 -15.704 -7.656 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.128 -16.471 -5.456 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.755 -17.716 -8.745 1.00 0.00 H new ATOM 1129 N LEU A 76 1.693 -11.461 -4.574 1.00 0.00 N ATOM 1130 CA LEU A 76 1.155 -10.438 -3.685 1.00 0.00 C ATOM 1131 C LEU A 76 0.313 -9.430 -4.461 1.00 0.00 C ATOM 1132 O LEU A 76 -0.824 -9.139 -4.089 1.00 0.00 O ATOM 1133 CB LEU A 76 2.292 -9.718 -2.958 1.00 0.00 C ATOM 1134 CG LEU A 76 1.912 -9.001 -1.661 1.00 0.00 C ATOM 1135 CD1 LEU A 76 1.966 -9.962 -0.485 1.00 0.00 C ATOM 1136 CD2 LEU A 76 2.829 -7.811 -1.422 1.00 0.00 C ATOM 0 H LEU A 76 2.710 -11.538 -4.561 1.00 0.00 H new ATOM 0 HA LEU A 76 0.516 -10.929 -2.951 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.071 -10.446 -2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.727 -8.987 -3.640 1.00 0.00 H new ATOM 0 HG LEU A 76 0.890 -8.634 -1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.693 -9.434 0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.268 -10.782 -0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.976 -10.360 -0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.544 -7.313 -0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.860 -8.156 -1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.740 -7.111 -2.253 1.00 0.00 H new ATOM 1148 N ARG A 77 0.878 -8.903 -5.542 1.00 0.00 N ATOM 1149 CA ARG A 77 0.179 -7.929 -6.371 1.00 0.00 C ATOM 1150 C ARG A 77 -1.119 -8.513 -6.918 1.00 0.00 C ATOM 1151 O ARG A 77 -2.158 -7.853 -6.913 1.00 0.00 O ATOM 1152 CB ARG A 77 1.074 -7.476 -7.527 1.00 0.00 C ATOM 1153 CG ARG A 77 0.639 -6.163 -8.156 1.00 0.00 C ATOM 1154 CD ARG A 77 1.772 -5.515 -8.936 1.00 0.00 C ATOM 1155 NE ARG A 77 1.962 -6.135 -10.244 1.00 0.00 N ATOM 1156 CZ ARG A 77 2.593 -5.544 -11.253 1.00 0.00 C ATOM 1157 NH1 ARG A 77 3.093 -4.325 -11.103 1.00 0.00 N ATOM 1158 NH2 ARG A 77 2.725 -6.173 -12.413 1.00 0.00 N ATOM 0 H ARG A 77 1.818 -9.134 -5.864 1.00 0.00 H new ATOM 0 HA ARG A 77 -0.064 -7.067 -5.749 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.097 -7.374 -7.165 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.083 -8.251 -8.294 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.207 -6.340 -8.820 1.00 0.00 H new ATOM 0 HG3 ARG A 77 0.296 -5.482 -7.377 1.00 0.00 H new ATOM 0 HD2 ARG A 77 1.562 -4.453 -9.065 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.696 -5.589 -8.362 1.00 0.00 H new ATOM 0 HE ARG A 77 1.590 -7.073 -10.391 1.00 0.00 H new ATOM 0 HH11 ARG A 77 2.994 -3.839 -10.212 1.00 0.00 H new ATOM 0 HH12 ARG A 77 3.577 -3.873 -11.879 1.00 0.00 H new ATOM 0 HH21 ARG A 77 2.342 -7.111 -12.531 1.00 0.00 H new ATOM 0 HH22 ARG A 77 3.209 -5.719 -13.187 1.00 0.00 H new ATOM 1172 N SER A 78 -1.052 -9.753 -7.389 1.00 0.00 N ATOM 1173 CA SER A 78 -2.222 -10.425 -7.944 1.00 0.00 C ATOM 1174 C SER A 78 -3.266 -10.678 -6.862 1.00 0.00 C ATOM 1175 O SER A 78 -4.468 -10.546 -7.100 1.00 0.00 O ATOM 1176 CB SER A 78 -1.816 -11.748 -8.596 1.00 0.00 C ATOM 1177 OG SER A 78 -2.747 -12.133 -9.592 1.00 0.00 O ATOM 0 H SER A 78 -0.200 -10.314 -7.398 1.00 0.00 H new ATOM 0 HA SER A 78 -2.659 -9.774 -8.702 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.825 -11.650 -9.039 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.750 -12.526 -7.836 1.00 0.00 H new ATOM 0 HG SER A 78 -2.464 -12.980 -9.994 1.00 0.00 H new ATOM 1183 N ILE A 79 -2.801 -11.044 -5.672 1.00 0.00 N ATOM 1184 CA ILE A 79 -3.694 -11.315 -4.552 1.00 0.00 C ATOM 1185 C ILE A 79 -4.276 -10.023 -3.988 1.00 0.00 C ATOM 1186 O ILE A 79 -5.385 -10.010 -3.453 1.00 0.00 O ATOM 1187 CB ILE A 79 -2.970 -12.074 -3.426 1.00 0.00 C ATOM 1188 CG1 ILE A 79 -2.564 -13.471 -3.900 1.00 0.00 C ATOM 1189 CG2 ILE A 79 -3.856 -12.164 -2.192 1.00 0.00 C ATOM 1190 CD1 ILE A 79 -3.735 -14.411 -4.081 1.00 0.00 C ATOM 0 H ILE A 79 -1.810 -11.160 -5.459 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.502 -11.937 -4.936 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.067 -11.524 -3.161 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.029 -13.384 -4.846 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.870 -13.903 -3.179 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.330 -12.704 -1.405 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.098 -11.160 -1.844 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.776 -12.693 -2.442 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.373 -15.382 -4.418 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.258 -14.528 -3.132 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.419 -14.001 -4.824 1.00 0.00 H new ATOM 1202 N LEU A 80 -3.520 -8.937 -4.111 1.00 0.00 N ATOM 1203 CA LEU A 80 -3.961 -7.638 -3.615 1.00 0.00 C ATOM 1204 C LEU A 80 -4.996 -7.021 -4.550 1.00 0.00 C ATOM 1205 O LEU A 80 -6.122 -6.734 -4.144 1.00 0.00 O ATOM 1206 CB LEU A 80 -2.766 -6.696 -3.465 1.00 0.00 C ATOM 1207 CG LEU A 80 -2.989 -5.463 -2.588 1.00 0.00 C ATOM 1208 CD1 LEU A 80 -1.670 -4.972 -2.011 1.00 0.00 C ATOM 1209 CD2 LEU A 80 -3.668 -4.357 -3.385 1.00 0.00 C ATOM 0 H LEU A 80 -2.599 -8.930 -4.550 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.424 -7.787 -2.639 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.931 -7.263 -3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.466 -6.361 -4.458 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.642 -5.743 -1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.849 -4.094 -1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.222 -5.760 -1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.993 -4.710 -2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.819 -3.488 -2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.040 -4.080 -4.231 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.632 -4.711 -3.750 1.00 0.00 H new ATOM 1221 N GLY A 81 -4.607 -6.820 -5.806 1.00 0.00 N ATOM 1222 CA GLY A 81 -5.514 -6.240 -6.779 1.00 0.00 C ATOM 1223 C GLY A 81 -6.906 -6.834 -6.702 1.00 0.00 C ATOM 1224 O GLY A 81 -7.894 -6.108 -6.590 1.00 0.00 O ATOM 0 H GLY A 81 -3.681 -7.048 -6.166 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.573 -5.163 -6.619 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.113 -6.392 -7.781 1.00 0.00 H new ATOM 1228 N THR A 82 -6.986 -8.160 -6.760 1.00 0.00 N ATOM 1229 CA THR A 82 -8.267 -8.852 -6.700 1.00 0.00 C ATOM 1230 C THR A 82 -8.989 -8.557 -5.390 1.00 0.00 C ATOM 1231 O THR A 82 -10.219 -8.518 -5.342 1.00 0.00 O ATOM 1232 CB THR A 82 -8.090 -10.375 -6.842 1.00 0.00 C ATOM 1233 OG1 THR A 82 -9.367 -11.004 -7.006 1.00 0.00 O ATOM 1234 CG2 THR A 82 -7.385 -10.955 -5.625 1.00 0.00 C ATOM 0 H THR A 82 -6.178 -8.776 -6.849 1.00 0.00 H new ATOM 0 HA THR A 82 -8.865 -8.484 -7.534 1.00 0.00 H new ATOM 0 HB THR A 82 -7.476 -10.566 -7.722 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.245 -11.972 -7.097 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.272 -12.032 -5.749 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.402 -10.496 -5.521 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.976 -10.753 -4.732 1.00 0.00 H new ATOM 1242 N LEU A 83 -8.217 -8.347 -4.329 1.00 0.00 N ATOM 1243 CA LEU A 83 -8.785 -8.054 -3.017 1.00 0.00 C ATOM 1244 C LEU A 83 -9.159 -6.580 -2.903 1.00 0.00 C ATOM 1245 O LEU A 83 -8.654 -5.739 -3.647 1.00 0.00 O ATOM 1246 CB LEU A 83 -7.790 -8.426 -1.915 1.00 0.00 C ATOM 1247 CG LEU A 83 -7.886 -9.855 -1.379 1.00 0.00 C ATOM 1248 CD1 LEU A 83 -6.712 -10.162 -0.463 1.00 0.00 C ATOM 1249 CD2 LEU A 83 -9.205 -10.062 -0.646 1.00 0.00 C ATOM 0 H LEU A 83 -7.198 -8.374 -4.351 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.690 -8.650 -2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.781 -8.269 -2.296 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.927 -7.737 -1.082 1.00 0.00 H new ATOM 0 HG LEU A 83 -7.850 -10.543 -2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.798 -11.183 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.780 -10.055 -1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.716 -9.468 0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.256 -11.084 -0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.270 -9.365 0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.034 -9.885 -1.331 1.00 0.00 H new ATOM 1261 N THR A 84 -10.047 -6.272 -1.962 1.00 0.00 N ATOM 1262 CA THR A 84 -10.489 -4.899 -1.750 1.00 0.00 C ATOM 1263 C THR A 84 -9.712 -4.241 -0.614 1.00 0.00 C ATOM 1264 O THR A 84 -9.542 -4.826 0.455 1.00 0.00 O ATOM 1265 CB THR A 84 -11.995 -4.837 -1.430 1.00 0.00 C ATOM 1266 OG1 THR A 84 -12.265 -5.527 -0.205 1.00 0.00 O ATOM 1267 CG2 THR A 84 -12.812 -5.452 -2.555 1.00 0.00 C ATOM 0 H THR A 84 -10.474 -6.954 -1.335 1.00 0.00 H new ATOM 0 HA THR A 84 -10.300 -4.359 -2.677 1.00 0.00 H new ATOM 0 HB THR A 84 -12.279 -3.790 -1.326 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.224 -5.481 -0.008 1.00 0.00 H new ATOM 0 HG21 THR A 84 -13.872 -5.397 -2.307 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.627 -4.906 -3.480 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.524 -6.495 -2.686 1.00 0.00 H new ATOM 1275 N VAL A 85 -9.243 -3.020 -0.854 1.00 0.00 N ATOM 1276 CA VAL A 85 -8.486 -2.282 0.150 1.00 0.00 C ATOM 1277 C VAL A 85 -9.088 -2.467 1.538 1.00 0.00 C ATOM 1278 O VAL A 85 -8.380 -2.779 2.495 1.00 0.00 O ATOM 1279 CB VAL A 85 -8.435 -0.778 -0.180 1.00 0.00 C ATOM 1280 CG1 VAL A 85 -9.808 -0.278 -0.603 1.00 0.00 C ATOM 1281 CG2 VAL A 85 -7.917 0.011 1.013 1.00 0.00 C ATOM 0 H VAL A 85 -9.374 -2.522 -1.734 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.473 -2.683 0.141 1.00 0.00 H new ATOM 0 HB VAL A 85 -7.747 -0.629 -1.012 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -9.753 0.786 -0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -10.137 -0.823 -1.488 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -10.519 -0.438 0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -7.887 1.071 0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -8.579 -0.142 1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.913 -0.330 1.267 1.00 0.00 H new ATOM 1291 N GLU A 86 -10.399 -2.274 1.640 1.00 0.00 N ATOM 1292 CA GLU A 86 -11.095 -2.419 2.913 1.00 0.00 C ATOM 1293 C GLU A 86 -10.774 -3.765 3.558 1.00 0.00 C ATOM 1294 O GLU A 86 -10.254 -3.822 4.672 1.00 0.00 O ATOM 1295 CB GLU A 86 -12.607 -2.287 2.711 1.00 0.00 C ATOM 1296 CG GLU A 86 -13.090 -0.847 2.668 1.00 0.00 C ATOM 1297 CD GLU A 86 -14.556 -0.713 3.030 1.00 0.00 C ATOM 1298 OE1 GLU A 86 -14.897 -0.926 4.213 1.00 0.00 O ATOM 1299 OE2 GLU A 86 -15.364 -0.396 2.132 1.00 0.00 O ATOM 0 H GLU A 86 -11.000 -2.017 0.857 1.00 0.00 H new ATOM 0 HA GLU A 86 -10.753 -1.625 3.577 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -12.886 -2.783 1.781 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.120 -2.810 3.518 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.494 -0.247 3.355 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.928 -0.443 1.669 1.00 0.00 H new ATOM 1306 N GLN A 87 -11.089 -4.844 2.849 1.00 0.00 N ATOM 1307 CA GLN A 87 -10.835 -6.189 3.354 1.00 0.00 C ATOM 1308 C GLN A 87 -9.449 -6.282 3.983 1.00 0.00 C ATOM 1309 O GLN A 87 -9.306 -6.681 5.139 1.00 0.00 O ATOM 1310 CB GLN A 87 -10.965 -7.213 2.225 1.00 0.00 C ATOM 1311 CG GLN A 87 -12.391 -7.686 1.995 1.00 0.00 C ATOM 1312 CD GLN A 87 -12.795 -8.801 2.941 1.00 0.00 C ATOM 1313 OE1 GLN A 87 -13.463 -8.564 3.948 1.00 0.00 O ATOM 1314 NE2 GLN A 87 -12.393 -10.025 2.620 1.00 0.00 N ATOM 0 H GLN A 87 -11.520 -4.814 1.925 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.577 -6.408 4.121 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -10.583 -6.775 1.303 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -10.337 -8.075 2.453 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.073 -6.845 2.118 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -12.494 -8.032 0.966 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -11.841 -10.175 1.776 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -12.636 -10.815 3.218 1.00 0.00 H new ATOM 1323 N ILE A 88 -8.430 -5.911 3.214 1.00 0.00 N ATOM 1324 CA ILE A 88 -7.055 -5.952 3.698 1.00 0.00 C ATOM 1325 C ILE A 88 -6.964 -5.461 5.139 1.00 0.00 C ATOM 1326 O ILE A 88 -6.591 -6.213 6.038 1.00 0.00 O ATOM 1327 CB ILE A 88 -6.124 -5.099 2.816 1.00 0.00 C ATOM 1328 CG1 ILE A 88 -5.936 -5.757 1.448 1.00 0.00 C ATOM 1329 CG2 ILE A 88 -4.781 -4.900 3.503 1.00 0.00 C ATOM 1330 CD1 ILE A 88 -5.360 -4.827 0.404 1.00 0.00 C ATOM 0 H ILE A 88 -8.530 -5.579 2.255 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.734 -6.993 3.652 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.583 -4.122 2.667 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.279 -6.620 1.556 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.898 -6.131 1.098 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.134 -4.295 2.868 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.931 -4.392 4.456 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.315 -5.870 3.678 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.254 -5.361 -0.540 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.027 -3.976 0.267 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.383 -4.473 0.732 1.00 0.00 H new ATOM 1342 N TYR A 89 -7.309 -4.196 5.349 1.00 0.00 N ATOM 1343 CA TYR A 89 -7.265 -3.603 6.681 1.00 0.00 C ATOM 1344 C TYR A 89 -8.027 -4.464 7.685 1.00 0.00 C ATOM 1345 O TYR A 89 -7.553 -4.707 8.795 1.00 0.00 O ATOM 1346 CB TYR A 89 -7.852 -2.192 6.653 1.00 0.00 C ATOM 1347 CG TYR A 89 -6.947 -1.172 5.999 1.00 0.00 C ATOM 1348 CD1 TYR A 89 -5.728 -0.828 6.570 1.00 0.00 C ATOM 1349 CD2 TYR A 89 -7.312 -0.554 4.810 1.00 0.00 C ATOM 1350 CE1 TYR A 89 -4.899 0.103 5.975 1.00 0.00 C ATOM 1351 CE2 TYR A 89 -6.487 0.378 4.207 1.00 0.00 C ATOM 1352 CZ TYR A 89 -5.283 0.703 4.794 1.00 0.00 C ATOM 1353 OH TYR A 89 -4.459 1.630 4.198 1.00 0.00 O ATOM 0 H TYR A 89 -7.622 -3.561 4.615 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.222 -3.549 6.993 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -8.804 -2.214 6.122 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -8.064 -1.875 7.674 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.424 -1.296 7.494 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -8.256 -0.805 4.349 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.955 0.360 6.432 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.784 0.848 3.281 1.00 0.00 H new ATOM 0 HH TYR A 89 -4.876 1.956 3.373 1.00 0.00 H new ATOM 1363 N GLN A 90 -9.208 -4.922 7.285 1.00 0.00 N ATOM 1364 CA GLN A 90 -10.036 -5.755 8.149 1.00 0.00 C ATOM 1365 C GLN A 90 -9.272 -6.994 8.606 1.00 0.00 C ATOM 1366 O GLN A 90 -8.943 -7.132 9.784 1.00 0.00 O ATOM 1367 CB GLN A 90 -11.314 -6.171 7.419 1.00 0.00 C ATOM 1368 CG GLN A 90 -12.446 -5.164 7.553 1.00 0.00 C ATOM 1369 CD GLN A 90 -12.931 -5.018 8.981 1.00 0.00 C ATOM 1370 OE1 GLN A 90 -13.825 -5.739 9.424 1.00 0.00 O ATOM 1371 NE2 GLN A 90 -12.341 -4.079 9.713 1.00 0.00 N ATOM 0 H GLN A 90 -9.613 -4.731 6.369 1.00 0.00 H new ATOM 0 HA GLN A 90 -10.302 -5.169 9.029 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.089 -6.314 6.362 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.647 -7.134 7.807 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -12.110 -4.194 7.187 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -13.278 -5.472 6.920 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.604 -3.503 9.306 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -12.625 -3.934 10.682 1.00 0.00 H new ATOM 1380 N ASP A 91 -8.993 -7.890 7.667 1.00 0.00 N ATOM 1381 CA ASP A 91 -8.266 -9.117 7.973 1.00 0.00 C ATOM 1382 C ASP A 91 -6.950 -9.175 7.204 1.00 0.00 C ATOM 1383 O ASP A 91 -6.939 -9.321 5.982 1.00 0.00 O ATOM 1384 CB ASP A 91 -9.122 -10.339 7.635 1.00 0.00 C ATOM 1385 CG ASP A 91 -10.599 -10.094 7.869 1.00 0.00 C ATOM 1386 OD1 ASP A 91 -11.050 -10.246 9.023 1.00 0.00 O ATOM 1387 OD2 ASP A 91 -11.305 -9.751 6.897 1.00 0.00 O ATOM 0 H ASP A 91 -9.259 -7.790 6.687 1.00 0.00 H new ATOM 0 HA ASP A 91 -8.043 -9.122 9.040 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -8.963 -10.613 6.592 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -8.797 -11.185 8.240 1.00 0.00 H new ATOM 1392 N ARG A 92 -5.842 -9.058 7.929 1.00 0.00 N ATOM 1393 CA ARG A 92 -4.519 -9.095 7.316 1.00 0.00 C ATOM 1394 C ARG A 92 -4.059 -10.534 7.105 1.00 0.00 C ATOM 1395 O ARG A 92 -3.747 -10.938 5.984 1.00 0.00 O ATOM 1396 CB ARG A 92 -3.509 -8.347 8.188 1.00 0.00 C ATOM 1397 CG ARG A 92 -3.880 -6.895 8.442 1.00 0.00 C ATOM 1398 CD ARG A 92 -2.658 -6.059 8.787 1.00 0.00 C ATOM 1399 NE ARG A 92 -3.003 -4.887 9.586 1.00 0.00 N ATOM 1400 CZ ARG A 92 -2.125 -4.212 10.318 1.00 0.00 C ATOM 1401 NH1 ARG A 92 -0.855 -4.591 10.352 1.00 0.00 N ATOM 1402 NH2 ARG A 92 -2.516 -3.156 11.019 1.00 0.00 N ATOM 0 H ARG A 92 -5.834 -8.937 8.942 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.581 -8.606 6.344 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.416 -8.862 9.144 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.530 -8.385 7.709 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.366 -6.483 7.558 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.601 -6.840 9.257 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -1.942 -6.672 9.334 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -2.167 -5.739 7.868 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.972 -4.569 9.582 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -0.551 -5.403 9.815 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -0.182 -4.071 10.915 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -3.492 -2.862 10.996 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -1.840 -2.638 11.581 1.00 0.00 H new ATOM 1416 N ASP A 93 -4.017 -11.302 8.187 1.00 0.00 N ATOM 1417 CA ASP A 93 -3.595 -12.696 8.120 1.00 0.00 C ATOM 1418 C ASP A 93 -4.090 -13.353 6.837 1.00 0.00 C ATOM 1419 O ASP A 93 -3.311 -13.941 6.088 1.00 0.00 O ATOM 1420 CB ASP A 93 -4.112 -13.467 9.335 1.00 0.00 C ATOM 1421 CG ASP A 93 -3.700 -12.827 10.647 1.00 0.00 C ATOM 1422 OD1 ASP A 93 -4.303 -11.798 11.020 1.00 0.00 O ATOM 1423 OD2 ASP A 93 -2.773 -13.351 11.299 1.00 0.00 O ATOM 0 H ASP A 93 -4.270 -10.983 9.122 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.505 -12.720 8.121 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.199 -13.525 9.289 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.736 -14.490 9.299 1.00 0.00 H new ATOM 1428 N GLN A 94 -5.392 -13.249 6.589 1.00 0.00 N ATOM 1429 CA GLN A 94 -5.992 -13.835 5.397 1.00 0.00 C ATOM 1430 C GLN A 94 -5.234 -13.412 4.142 1.00 0.00 C ATOM 1431 O GLN A 94 -4.770 -14.253 3.372 1.00 0.00 O ATOM 1432 CB GLN A 94 -7.460 -13.423 5.284 1.00 0.00 C ATOM 1433 CG GLN A 94 -8.327 -14.445 4.565 1.00 0.00 C ATOM 1434 CD GLN A 94 -8.572 -15.689 5.396 1.00 0.00 C ATOM 1435 OE1 GLN A 94 -9.328 -15.661 6.368 1.00 0.00 O ATOM 1436 NE2 GLN A 94 -7.934 -16.790 5.018 1.00 0.00 N ATOM 0 H GLN A 94 -6.051 -12.764 7.198 1.00 0.00 H new ATOM 0 HA GLN A 94 -5.933 -14.920 5.487 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.860 -13.259 6.284 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.522 -12.471 4.756 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -9.283 -13.989 4.309 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.848 -14.727 3.628 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.317 -16.769 4.206 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -8.061 -17.657 5.539 1.00 0.00 H new ATOM 1445 N PHE A 95 -5.114 -12.104 3.943 1.00 0.00 N ATOM 1446 CA PHE A 95 -4.414 -11.569 2.781 1.00 0.00 C ATOM 1447 C PHE A 95 -2.999 -12.132 2.693 1.00 0.00 C ATOM 1448 O PHE A 95 -2.536 -12.510 1.617 1.00 0.00 O ATOM 1449 CB PHE A 95 -4.365 -10.041 2.847 1.00 0.00 C ATOM 1450 CG PHE A 95 -3.466 -9.425 1.813 1.00 0.00 C ATOM 1451 CD1 PHE A 95 -3.623 -9.727 0.470 1.00 0.00 C ATOM 1452 CD2 PHE A 95 -2.463 -8.544 2.185 1.00 0.00 C ATOM 1453 CE1 PHE A 95 -2.798 -9.161 -0.483 1.00 0.00 C ATOM 1454 CE2 PHE A 95 -1.636 -7.975 1.236 1.00 0.00 C ATOM 1455 CZ PHE A 95 -1.803 -8.285 -0.099 1.00 0.00 C ATOM 0 H PHE A 95 -5.492 -11.395 4.571 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.962 -11.869 1.888 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -5.374 -9.647 2.721 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -4.026 -9.739 3.838 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.399 -10.413 0.164 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.326 -8.300 3.228 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.932 -9.404 -1.527 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -0.859 -7.288 1.538 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.156 -7.843 -0.842 1.00 0.00 H new ATOM 1465 N ALA A 96 -2.316 -12.181 3.832 1.00 0.00 N ATOM 1466 CA ALA A 96 -0.955 -12.698 3.884 1.00 0.00 C ATOM 1467 C ALA A 96 -0.926 -14.198 3.618 1.00 0.00 C ATOM 1468 O ALA A 96 0.115 -14.759 3.270 1.00 0.00 O ATOM 1469 CB ALA A 96 -0.324 -12.387 5.234 1.00 0.00 C ATOM 0 H ALA A 96 -2.683 -11.869 4.731 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.376 -12.206 3.102 1.00 0.00 H new ATOM 0 HB1 ALA A 96 0.693 -12.779 5.259 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.301 -11.308 5.385 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.912 -12.851 6.026 1.00 0.00 H new ATOM 1475 N LYS A 97 -2.074 -14.846 3.781 1.00 0.00 N ATOM 1476 CA LYS A 97 -2.182 -16.282 3.558 1.00 0.00 C ATOM 1477 C LYS A 97 -2.407 -16.588 2.081 1.00 0.00 C ATOM 1478 O LYS A 97 -1.710 -17.418 1.495 1.00 0.00 O ATOM 1479 CB LYS A 97 -3.328 -16.865 4.389 1.00 0.00 C ATOM 1480 CG LYS A 97 -3.966 -18.096 3.769 1.00 0.00 C ATOM 1481 CD LYS A 97 -4.948 -18.755 4.723 1.00 0.00 C ATOM 1482 CE LYS A 97 -4.313 -19.029 6.077 1.00 0.00 C ATOM 1483 NZ LYS A 97 -5.036 -20.095 6.824 1.00 0.00 N ATOM 0 H LYS A 97 -2.944 -14.398 4.067 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.244 -16.743 3.869 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.953 -17.121 5.380 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -4.092 -16.100 4.525 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.482 -17.816 2.850 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.190 -18.810 3.494 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.818 -18.112 4.852 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.304 -19.690 4.291 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.273 -19.325 5.937 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.307 -18.113 6.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.572 -20.252 7.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.022 -19.802 6.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.020 -20.977 6.273 1.00 0.00 H new ATOM 1497 N LEU A 98 -3.381 -15.911 1.483 1.00 0.00 N ATOM 1498 CA LEU A 98 -3.696 -16.110 0.072 1.00 0.00 C ATOM 1499 C LEU A 98 -2.445 -15.974 -0.790 1.00 0.00 C ATOM 1500 O LEU A 98 -2.412 -16.435 -1.931 1.00 0.00 O ATOM 1501 CB LEU A 98 -4.752 -15.100 -0.381 1.00 0.00 C ATOM 1502 CG LEU A 98 -6.197 -15.422 0.003 1.00 0.00 C ATOM 1503 CD1 LEU A 98 -6.423 -15.171 1.486 1.00 0.00 C ATOM 1504 CD2 LEU A 98 -7.167 -14.600 -0.832 1.00 0.00 C ATOM 0 H LEU A 98 -3.966 -15.220 1.952 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.090 -17.119 -0.048 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.495 -14.125 0.034 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.697 -15.009 -1.466 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.380 -16.477 -0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.456 -15.405 1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.753 -15.803 2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.222 -14.124 1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.190 -14.842 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.984 -13.539 -0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.023 -14.829 -1.888 1.00 0.00 H new ATOM 1516 N VAL A 99 -1.415 -15.342 -0.235 1.00 0.00 N ATOM 1517 CA VAL A 99 -0.160 -15.150 -0.951 1.00 0.00 C ATOM 1518 C VAL A 99 0.820 -16.281 -0.657 1.00 0.00 C ATOM 1519 O VAL A 99 1.392 -16.873 -1.572 1.00 0.00 O ATOM 1520 CB VAL A 99 0.498 -13.807 -0.580 1.00 0.00 C ATOM 1521 CG1 VAL A 99 1.678 -13.520 -1.494 1.00 0.00 C ATOM 1522 CG2 VAL A 99 -0.522 -12.680 -0.643 1.00 0.00 C ATOM 0 H VAL A 99 -1.426 -14.954 0.708 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.400 -15.148 -2.014 1.00 0.00 H new ATOM 0 HB VAL A 99 0.870 -13.874 0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.130 -12.568 -1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.417 -14.315 -1.394 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.334 -13.471 -2.527 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.041 -11.739 -0.378 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.925 -12.610 -1.653 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.332 -12.883 0.057 1.00 0.00 H new ATOM 1532 N ARG A 100 1.006 -16.576 0.625 1.00 0.00 N ATOM 1533 CA ARG A 100 1.917 -17.637 1.040 1.00 0.00 C ATOM 1534 C ARG A 100 1.393 -19.003 0.607 1.00 0.00 C ATOM 1535 O ARG A 100 2.148 -19.972 0.532 1.00 0.00 O ATOM 1536 CB ARG A 100 2.108 -17.609 2.558 1.00 0.00 C ATOM 1537 CG ARG A 100 1.106 -18.466 3.313 1.00 0.00 C ATOM 1538 CD ARG A 100 1.329 -18.391 4.815 1.00 0.00 C ATOM 1539 NE ARG A 100 0.196 -18.923 5.566 1.00 0.00 N ATOM 1540 CZ ARG A 100 0.205 -19.104 6.881 1.00 0.00 C ATOM 1541 NH1 ARG A 100 1.283 -18.797 7.589 1.00 0.00 N ATOM 1542 NH2 ARG A 100 -0.867 -19.595 7.492 1.00 0.00 N ATOM 0 H ARG A 100 0.539 -16.096 1.394 1.00 0.00 H new ATOM 0 HA ARG A 100 2.879 -17.466 0.557 1.00 0.00 H new ATOM 0 HB2 ARG A 100 3.116 -17.949 2.795 1.00 0.00 H new ATOM 0 HB3 ARG A 100 2.029 -16.579 2.907 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.094 -18.137 3.077 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.190 -19.501 2.983 1.00 0.00 H new ATOM 0 HD2 ARG A 100 2.229 -18.947 5.076 1.00 0.00 H new ATOM 0 HD3 ARG A 100 1.500 -17.354 5.104 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.650 -19.169 5.052 1.00 0.00 H new ATOM 0 HH11 ARG A 100 2.109 -18.420 7.123 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.287 -18.937 8.599 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.698 -19.833 6.951 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.859 -19.734 8.502 1.00 0.00 H new ATOM 1556 N GLU A 101 0.096 -19.072 0.325 1.00 0.00 N ATOM 1557 CA GLU A 101 -0.528 -20.320 -0.098 1.00 0.00 C ATOM 1558 C GLU A 101 -0.364 -20.528 -1.601 1.00 0.00 C ATOM 1559 O GLU A 101 -0.130 -21.645 -2.063 1.00 0.00 O ATOM 1560 CB GLU A 101 -2.013 -20.325 0.270 1.00 0.00 C ATOM 1561 CG GLU A 101 -2.852 -19.382 -0.578 1.00 0.00 C ATOM 1562 CD GLU A 101 -4.338 -19.519 -0.304 1.00 0.00 C ATOM 1563 OE1 GLU A 101 -4.706 -19.772 0.862 1.00 0.00 O ATOM 1564 OE2 GLU A 101 -5.132 -19.369 -1.256 1.00 0.00 O ATOM 0 H GLU A 101 -0.543 -18.279 0.382 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.030 -21.139 0.421 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.402 -21.338 0.165 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.120 -20.050 1.319 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.544 -18.354 -0.386 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.661 -19.580 -1.633 1.00 0.00 H new ATOM 1571 N VAL A 102 -0.488 -19.444 -2.359 1.00 0.00 N ATOM 1572 CA VAL A 102 -0.354 -19.506 -3.810 1.00 0.00 C ATOM 1573 C VAL A 102 1.110 -19.620 -4.222 1.00 0.00 C ATOM 1574 O VAL A 102 1.448 -20.353 -5.150 1.00 0.00 O ATOM 1575 CB VAL A 102 -0.969 -18.265 -4.484 1.00 0.00 C ATOM 1576 CG1 VAL A 102 0.018 -17.108 -4.477 1.00 0.00 C ATOM 1577 CG2 VAL A 102 -1.409 -18.593 -5.903 1.00 0.00 C ATOM 0 H VAL A 102 -0.681 -18.512 -1.993 1.00 0.00 H new ATOM 0 HA VAL A 102 -0.892 -20.394 -4.140 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.849 -17.963 -3.916 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.435 -16.241 -4.957 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.279 -16.858 -3.448 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.919 -17.395 -5.020 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.841 -17.705 -6.364 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -0.547 -18.921 -6.484 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -2.154 -19.388 -5.878 1.00 0.00 H new ATOM 1587 N ALA A 103 1.974 -18.891 -3.525 1.00 0.00 N ATOM 1588 CA ALA A 103 3.402 -18.912 -3.815 1.00 0.00 C ATOM 1589 C ALA A 103 4.039 -20.213 -3.338 1.00 0.00 C ATOM 1590 O ALA A 103 4.977 -20.718 -3.956 1.00 0.00 O ATOM 1591 CB ALA A 103 4.090 -17.717 -3.171 1.00 0.00 C ATOM 0 H ALA A 103 1.710 -18.277 -2.754 1.00 0.00 H new ATOM 0 HA ALA A 103 3.529 -18.850 -4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.156 -17.746 -3.396 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.661 -16.795 -3.564 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.946 -17.753 -2.091 1.00 0.00 H new ATOM 1597 N ALA A 104 3.525 -20.750 -2.238 1.00 0.00 N ATOM 1598 CA ALA A 104 4.044 -21.992 -1.679 1.00 0.00 C ATOM 1599 C ALA A 104 4.267 -23.033 -2.771 1.00 0.00 C ATOM 1600 O ALA A 104 5.384 -23.501 -2.997 1.00 0.00 O ATOM 1601 CB ALA A 104 3.095 -22.531 -0.619 1.00 0.00 C ATOM 0 H ALA A 104 2.749 -20.344 -1.715 1.00 0.00 H new ATOM 0 HA ALA A 104 5.006 -21.779 -1.214 1.00 0.00 H new ATOM 0 HB1 ALA A 104 3.495 -23.459 -0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.989 -21.798 0.181 1.00 0.00 H new ATOM 0 HB3 ALA A 104 2.120 -22.723 -1.067 1.00 0.00 H new ATOM 1607 N PRO A 105 3.182 -23.407 -3.464 1.00 0.00 N ATOM 1608 CA PRO A 105 3.234 -24.397 -4.544 1.00 0.00 C ATOM 1609 C PRO A 105 3.961 -23.873 -5.777 1.00 0.00 C ATOM 1610 O PRO A 105 4.123 -24.589 -6.765 1.00 0.00 O ATOM 1611 CB PRO A 105 1.759 -24.653 -4.861 1.00 0.00 C ATOM 1612 CG PRO A 105 1.058 -23.410 -4.436 1.00 0.00 C ATOM 1613 CD PRO A 105 1.819 -22.891 -3.247 1.00 0.00 C ATOM 0 HA PRO A 105 3.783 -25.292 -4.250 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.611 -24.848 -5.923 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.384 -25.523 -4.322 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.044 -22.675 -5.241 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.020 -23.617 -4.175 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.804 -21.802 -3.204 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.396 -23.253 -2.310 1.00 0.00 H new ATOM 1621 N ASP A 106 4.397 -22.620 -5.712 1.00 0.00 N ATOM 1622 CA ASP A 106 5.109 -21.999 -6.823 1.00 0.00 C ATOM 1623 C ASP A 106 6.618 -22.108 -6.630 1.00 0.00 C ATOM 1624 O ASP A 106 7.324 -22.662 -7.473 1.00 0.00 O ATOM 1625 CB ASP A 106 4.704 -20.531 -6.960 1.00 0.00 C ATOM 1626 CG ASP A 106 4.831 -20.026 -8.385 1.00 0.00 C ATOM 1627 OD1 ASP A 106 5.939 -19.593 -8.764 1.00 0.00 O ATOM 1628 OD2 ASP A 106 3.822 -20.065 -9.119 1.00 0.00 O ATOM 0 H ASP A 106 4.270 -22.014 -4.901 1.00 0.00 H new ATOM 0 HA ASP A 106 4.839 -22.528 -7.737 1.00 0.00 H new ATOM 0 HB2 ASP A 106 3.674 -20.408 -6.624 1.00 0.00 H new ATOM 0 HB3 ASP A 106 5.327 -19.922 -6.305 1.00 0.00 H new ATOM 1633 N VAL A 107 7.107 -21.573 -5.515 1.00 0.00 N ATOM 1634 CA VAL A 107 8.533 -21.610 -5.211 1.00 0.00 C ATOM 1635 C VAL A 107 9.076 -23.032 -5.294 1.00 0.00 C ATOM 1636 O VAL A 107 10.265 -23.240 -5.535 1.00 0.00 O ATOM 1637 CB VAL A 107 8.822 -21.043 -3.809 1.00 0.00 C ATOM 1638 CG1 VAL A 107 8.612 -19.537 -3.787 1.00 0.00 C ATOM 1639 CG2 VAL A 107 7.948 -21.726 -2.768 1.00 0.00 C ATOM 0 H VAL A 107 6.537 -21.109 -4.808 1.00 0.00 H new ATOM 0 HA VAL A 107 9.032 -20.990 -5.956 1.00 0.00 H new ATOM 0 HB VAL A 107 9.865 -21.243 -3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.821 -19.155 -2.788 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.284 -19.065 -4.504 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.580 -19.310 -4.054 1.00 0.00 H new ATOM 0 HG21 VAL A 107 8.165 -21.313 -1.783 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.898 -21.559 -3.008 1.00 0.00 H new ATOM 0 HG23 VAL A 107 8.153 -22.796 -2.766 1.00 0.00 H new ATOM 1649 N GLY A 108 8.197 -24.009 -5.094 1.00 0.00 N ATOM 1650 CA GLY A 108 8.607 -25.400 -5.151 1.00 0.00 C ATOM 1651 C GLY A 108 9.126 -25.796 -6.519 1.00 0.00 C ATOM 1652 O GLY A 108 9.617 -26.909 -6.705 1.00 0.00 O ATOM 0 H GLY A 108 7.208 -23.862 -4.893 1.00 0.00 H new ATOM 0 HA2 GLY A 108 9.383 -25.578 -4.406 1.00 0.00 H new ATOM 0 HA3 GLY A 108 7.761 -26.036 -4.889 1.00 0.00 H new ATOM 1656 N ARG A 109 9.014 -24.883 -7.479 1.00 0.00 N ATOM 1657 CA ARG A 109 9.474 -25.144 -8.838 1.00 0.00 C ATOM 1658 C ARG A 109 10.965 -24.855 -8.973 1.00 0.00 C ATOM 1659 O ARG A 109 11.700 -25.612 -9.607 1.00 0.00 O ATOM 1660 CB ARG A 109 8.687 -24.295 -9.837 1.00 0.00 C ATOM 1661 CG ARG A 109 7.261 -24.774 -10.054 1.00 0.00 C ATOM 1662 CD ARG A 109 6.398 -23.691 -10.684 1.00 0.00 C ATOM 1663 NE ARG A 109 5.042 -24.161 -10.953 1.00 0.00 N ATOM 1664 CZ ARG A 109 4.182 -23.512 -11.731 1.00 0.00 C ATOM 1665 NH1 ARG A 109 4.535 -22.375 -12.313 1.00 0.00 N ATOM 1666 NH2 ARG A 109 2.963 -24.003 -11.928 1.00 0.00 N ATOM 0 H ARG A 109 8.609 -23.957 -7.341 1.00 0.00 H new ATOM 0 HA ARG A 109 9.305 -26.199 -9.055 1.00 0.00 H new ATOM 0 HB2 ARG A 109 8.665 -23.263 -9.486 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.211 -24.295 -10.793 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.266 -25.655 -10.695 1.00 0.00 H new ATOM 0 HG3 ARG A 109 6.829 -25.076 -9.100 1.00 0.00 H new ATOM 0 HD2 ARG A 109 6.358 -22.827 -10.020 1.00 0.00 H new ATOM 0 HD3 ARG A 109 6.857 -23.357 -11.614 1.00 0.00 H new ATOM 0 HE ARG A 109 4.739 -25.034 -10.521 1.00 0.00 H new ATOM 0 HH11 ARG A 109 5.470 -21.995 -12.165 1.00 0.00 H new ATOM 0 HH12 ARG A 109 3.872 -21.880 -12.909 1.00 0.00 H new ATOM 0 HH21 ARG A 109 2.687 -24.878 -11.482 1.00 0.00 H new ATOM 0 HH22 ARG A 109 2.303 -23.505 -12.525 1.00 0.00 H new ATOM 1680 N MET A 110 11.406 -23.754 -8.372 1.00 0.00 N ATOM 1681 CA MET A 110 12.811 -23.365 -8.425 1.00 0.00 C ATOM 1682 C MET A 110 13.631 -24.150 -7.407 1.00 0.00 C ATOM 1683 O MET A 110 14.802 -24.452 -7.639 1.00 0.00 O ATOM 1684 CB MET A 110 12.957 -21.864 -8.165 1.00 0.00 C ATOM 1685 CG MET A 110 12.193 -21.382 -6.942 1.00 0.00 C ATOM 1686 SD MET A 110 12.714 -19.744 -6.400 1.00 0.00 S ATOM 1687 CE MET A 110 11.408 -19.338 -5.245 1.00 0.00 C ATOM 0 H MET A 110 10.811 -23.116 -7.843 1.00 0.00 H new ATOM 0 HA MET A 110 13.188 -23.593 -9.422 1.00 0.00 H new ATOM 0 HB2 MET A 110 14.013 -21.626 -8.040 1.00 0.00 H new ATOM 0 HB3 MET A 110 12.608 -21.316 -9.040 1.00 0.00 H new ATOM 0 HG2 MET A 110 11.127 -21.364 -7.168 1.00 0.00 H new ATOM 0 HG3 MET A 110 12.334 -22.092 -6.127 1.00 0.00 H new ATOM 0 HE1 MET A 110 10.796 -18.534 -5.655 1.00 0.00 H new ATOM 0 HE2 MET A 110 10.786 -20.217 -5.075 1.00 0.00 H new ATOM 0 HE3 MET A 110 11.845 -19.015 -4.300 1.00 0.00 H new ATOM 1697 N GLY A 111 13.009 -24.480 -6.279 1.00 0.00 N ATOM 1698 CA GLY A 111 13.697 -25.228 -5.243 1.00 0.00 C ATOM 1699 C GLY A 111 13.682 -24.514 -3.905 1.00 0.00 C ATOM 1700 O GLY A 111 14.401 -24.897 -2.982 1.00 0.00 O ATOM 0 H GLY A 111 12.041 -24.242 -6.064 1.00 0.00 H new ATOM 0 HA2 GLY A 111 13.229 -26.207 -5.134 1.00 0.00 H new ATOM 0 HA3 GLY A 111 14.729 -25.400 -5.548 1.00 0.00 H new ATOM 1704 N ILE A 112 12.861 -23.474 -3.801 1.00 0.00 N ATOM 1705 CA ILE A 112 12.755 -22.706 -2.568 1.00 0.00 C ATOM 1706 C ILE A 112 11.479 -23.055 -1.809 1.00 0.00 C ATOM 1707 O ILE A 112 10.459 -23.385 -2.412 1.00 0.00 O ATOM 1708 CB ILE A 112 12.776 -21.191 -2.844 1.00 0.00 C ATOM 1709 CG1 ILE A 112 13.990 -20.824 -3.701 1.00 0.00 C ATOM 1710 CG2 ILE A 112 12.791 -20.414 -1.536 1.00 0.00 C ATOM 1711 CD1 ILE A 112 15.311 -21.017 -2.992 1.00 0.00 C ATOM 0 H ILE A 112 12.260 -23.145 -4.556 1.00 0.00 H new ATOM 0 HA ILE A 112 13.620 -22.968 -1.959 1.00 0.00 H new ATOM 0 HB ILE A 112 11.873 -20.924 -3.392 1.00 0.00 H new ATOM 0 HG12 ILE A 112 13.981 -21.430 -4.607 1.00 0.00 H new ATOM 0 HG13 ILE A 112 13.903 -19.783 -4.013 1.00 0.00 H new ATOM 0 HG21 ILE A 112 12.806 -19.345 -1.748 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.899 -20.657 -0.958 1.00 0.00 H new ATOM 0 HG23 ILE A 112 13.679 -20.683 -0.963 1.00 0.00 H new ATOM 0 HD11 ILE A 112 16.126 -20.737 -3.659 1.00 0.00 H new ATOM 0 HD12 ILE A 112 15.340 -20.390 -2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 112 15.420 -22.063 -2.704 1.00 0.00 H new ATOM 1723 N GLU A 113 11.545 -22.978 -0.484 1.00 0.00 N ATOM 1724 CA GLU A 113 10.392 -23.286 0.356 1.00 0.00 C ATOM 1725 C GLU A 113 10.095 -22.135 1.313 1.00 0.00 C ATOM 1726 O GLU A 113 11.009 -21.500 1.841 1.00 0.00 O ATOM 1727 CB GLU A 113 10.639 -24.572 1.148 1.00 0.00 C ATOM 1728 CG GLU A 113 9.933 -24.603 2.493 1.00 0.00 C ATOM 1729 CD GLU A 113 10.787 -24.038 3.613 1.00 0.00 C ATOM 1730 OE1 GLU A 113 10.740 -22.809 3.830 1.00 0.00 O ATOM 1731 OE2 GLU A 113 11.500 -24.823 4.271 1.00 0.00 O ATOM 0 H GLU A 113 12.382 -22.706 0.031 1.00 0.00 H new ATOM 0 HA GLU A 113 9.528 -23.429 -0.293 1.00 0.00 H new ATOM 0 HB2 GLU A 113 10.308 -25.424 0.554 1.00 0.00 H new ATOM 0 HB3 GLU A 113 11.711 -24.691 1.307 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.006 -24.034 2.426 1.00 0.00 H new ATOM 0 HG3 GLU A 113 9.660 -25.631 2.732 1.00 0.00 H new ATOM 1738 N ILE A 114 8.811 -21.872 1.532 1.00 0.00 N ATOM 1739 CA ILE A 114 8.393 -20.799 2.425 1.00 0.00 C ATOM 1740 C ILE A 114 8.161 -21.320 3.840 1.00 0.00 C ATOM 1741 O ILE A 114 7.655 -22.427 4.030 1.00 0.00 O ATOM 1742 CB ILE A 114 7.106 -20.119 1.923 1.00 0.00 C ATOM 1743 CG1 ILE A 114 5.908 -21.054 2.098 1.00 0.00 C ATOM 1744 CG2 ILE A 114 7.257 -19.709 0.466 1.00 0.00 C ATOM 1745 CD1 ILE A 114 5.211 -20.902 3.431 1.00 0.00 C ATOM 0 H ILE A 114 8.042 -22.387 1.103 1.00 0.00 H new ATOM 0 HA ILE A 114 9.200 -20.067 2.438 1.00 0.00 H new ATOM 0 HB ILE A 114 6.932 -19.221 2.516 1.00 0.00 H new ATOM 0 HG12 ILE A 114 5.191 -20.866 1.299 1.00 0.00 H new ATOM 0 HG13 ILE A 114 6.244 -22.085 1.988 1.00 0.00 H new ATOM 0 HG21 ILE A 114 6.339 -19.230 0.126 1.00 0.00 H new ATOM 0 HG22 ILE A 114 8.088 -19.011 0.369 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.452 -20.592 -0.142 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.372 -21.596 3.484 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.913 -21.119 4.236 1.00 0.00 H new ATOM 0 HD13 ILE A 114 4.844 -19.881 3.536 1.00 0.00 H new ATOM 1757 N LEU A 115 8.532 -20.516 4.829 1.00 0.00 N ATOM 1758 CA LEU A 115 8.364 -20.894 6.227 1.00 0.00 C ATOM 1759 C LEU A 115 7.087 -20.290 6.804 1.00 0.00 C ATOM 1760 O LEU A 115 6.267 -20.994 7.392 1.00 0.00 O ATOM 1761 CB LEU A 115 9.573 -20.441 7.048 1.00 0.00 C ATOM 1762 CG LEU A 115 10.914 -21.070 6.671 1.00 0.00 C ATOM 1763 CD1 LEU A 115 11.997 -20.646 7.650 1.00 0.00 C ATOM 1764 CD2 LEU A 115 10.798 -22.586 6.625 1.00 0.00 C ATOM 0 H LEU A 115 8.952 -19.597 4.689 1.00 0.00 H new ATOM 0 HA LEU A 115 8.286 -21.980 6.277 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.664 -19.359 6.957 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.375 -20.657 8.098 1.00 0.00 H new ATOM 0 HG LEU A 115 11.192 -20.717 5.678 1.00 0.00 H new ATOM 0 HD11 LEU A 115 12.944 -21.104 7.365 1.00 0.00 H new ATOM 0 HD12 LEU A 115 12.099 -19.561 7.633 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.726 -20.969 8.655 1.00 0.00 H new ATOM 0 HD21 LEU A 115 11.762 -23.017 6.355 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.496 -22.958 7.604 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.053 -22.872 5.883 1.00 0.00 H new ATOM 1776 N SER A 116 6.926 -18.982 6.631 1.00 0.00 N ATOM 1777 CA SER A 116 5.751 -18.283 7.136 1.00 0.00 C ATOM 1778 C SER A 116 5.549 -16.960 6.403 1.00 0.00 C ATOM 1779 O SER A 116 6.453 -16.467 5.728 1.00 0.00 O ATOM 1780 CB SER A 116 5.887 -18.031 8.639 1.00 0.00 C ATOM 1781 OG SER A 116 4.626 -17.765 9.228 1.00 0.00 O ATOM 0 H SER A 116 7.595 -18.385 6.145 1.00 0.00 H new ATOM 0 HA SER A 116 4.880 -18.914 6.958 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.339 -18.900 9.117 1.00 0.00 H new ATOM 0 HB3 SER A 116 6.557 -17.188 8.810 1.00 0.00 H new ATOM 0 HG SER A 116 4.740 -17.609 10.189 1.00 0.00 H new ATOM 1787 N PHE A 117 4.357 -16.389 6.543 1.00 0.00 N ATOM 1788 CA PHE A 117 4.035 -15.123 5.894 1.00 0.00 C ATOM 1789 C PHE A 117 3.228 -14.224 6.826 1.00 0.00 C ATOM 1790 O PHE A 117 2.188 -14.627 7.350 1.00 0.00 O ATOM 1791 CB PHE A 117 3.253 -15.372 4.603 1.00 0.00 C ATOM 1792 CG PHE A 117 3.475 -14.319 3.555 1.00 0.00 C ATOM 1793 CD1 PHE A 117 3.371 -12.975 3.873 1.00 0.00 C ATOM 1794 CD2 PHE A 117 3.788 -14.675 2.253 1.00 0.00 C ATOM 1795 CE1 PHE A 117 3.574 -12.004 2.910 1.00 0.00 C ATOM 1796 CE2 PHE A 117 3.993 -13.708 1.286 1.00 0.00 C ATOM 1797 CZ PHE A 117 3.886 -12.371 1.615 1.00 0.00 C ATOM 0 H PHE A 117 3.598 -16.783 7.100 1.00 0.00 H new ATOM 0 HA PHE A 117 4.971 -14.619 5.652 1.00 0.00 H new ATOM 0 HB2 PHE A 117 3.537 -16.343 4.197 1.00 0.00 H new ATOM 0 HB3 PHE A 117 2.189 -15.423 4.836 1.00 0.00 H new ATOM 0 HD1 PHE A 117 3.129 -12.682 4.884 1.00 0.00 H new ATOM 0 HD2 PHE A 117 3.873 -15.719 1.991 1.00 0.00 H new ATOM 0 HE1 PHE A 117 3.489 -10.959 3.170 1.00 0.00 H new ATOM 0 HE2 PHE A 117 4.237 -13.998 0.275 1.00 0.00 H new ATOM 0 HZ PHE A 117 4.046 -11.614 0.862 1.00 0.00 H new ATOM 1807 N THR A 118 3.714 -13.005 7.030 1.00 0.00 N ATOM 1808 CA THR A 118 3.041 -12.048 7.900 1.00 0.00 C ATOM 1809 C THR A 118 2.965 -10.672 7.249 1.00 0.00 C ATOM 1810 O THR A 118 3.725 -10.367 6.328 1.00 0.00 O ATOM 1811 CB THR A 118 3.757 -11.923 9.258 1.00 0.00 C ATOM 1812 OG1 THR A 118 4.429 -13.148 9.572 1.00 0.00 O ATOM 1813 CG2 THR A 118 2.767 -11.584 10.362 1.00 0.00 C ATOM 0 H THR A 118 4.573 -12.656 6.604 1.00 0.00 H new ATOM 0 HA THR A 118 2.032 -12.425 8.064 1.00 0.00 H new ATOM 0 HB THR A 118 4.487 -11.117 9.186 1.00 0.00 H new ATOM 0 HG1 THR A 118 4.883 -13.060 10.436 1.00 0.00 H new ATOM 0 HG21 THR A 118 3.295 -11.501 11.312 1.00 0.00 H new ATOM 0 HG22 THR A 118 2.279 -10.637 10.134 1.00 0.00 H new ATOM 0 HG23 THR A 118 2.017 -12.371 10.432 1.00 0.00 H new ATOM 1821 N ILE A 119 2.047 -9.843 7.734 1.00 0.00 N ATOM 1822 CA ILE A 119 1.875 -8.498 7.200 1.00 0.00 C ATOM 1823 C ILE A 119 2.488 -7.455 8.129 1.00 0.00 C ATOM 1824 O ILE A 119 1.935 -7.145 9.184 1.00 0.00 O ATOM 1825 CB ILE A 119 0.387 -8.164 6.983 1.00 0.00 C ATOM 1826 CG1 ILE A 119 -0.187 -9.009 5.844 1.00 0.00 C ATOM 1827 CG2 ILE A 119 0.214 -6.682 6.690 1.00 0.00 C ATOM 1828 CD1 ILE A 119 0.720 -9.090 4.637 1.00 0.00 C ATOM 0 H ILE A 119 1.411 -10.079 8.496 1.00 0.00 H new ATOM 0 HA ILE A 119 2.389 -8.472 6.239 1.00 0.00 H new ATOM 0 HB ILE A 119 -0.160 -8.400 7.896 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -0.380 -10.017 6.212 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -1.147 -8.591 5.540 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -0.843 -6.462 6.539 1.00 0.00 H new ATOM 0 HG22 ILE A 119 0.590 -6.099 7.531 1.00 0.00 H new ATOM 0 HG23 ILE A 119 0.771 -6.422 5.790 1.00 0.00 H new ATOM 0 HD11 ILE A 119 0.250 -9.704 3.869 1.00 0.00 H new ATOM 0 HD12 ILE A 119 0.893 -8.088 4.244 1.00 0.00 H new ATOM 0 HD13 ILE A 119 1.672 -9.536 4.926 1.00 0.00 H new ATOM 1840 N LYS A 120 3.634 -6.915 7.728 1.00 0.00 N ATOM 1841 CA LYS A 120 4.323 -5.903 8.521 1.00 0.00 C ATOM 1842 C LYS A 120 3.492 -4.629 8.617 1.00 0.00 C ATOM 1843 O LYS A 120 2.897 -4.341 9.656 1.00 0.00 O ATOM 1844 CB LYS A 120 5.690 -5.590 7.909 1.00 0.00 C ATOM 1845 CG LYS A 120 6.391 -4.410 8.559 1.00 0.00 C ATOM 1846 CD LYS A 120 7.365 -4.863 9.634 1.00 0.00 C ATOM 1847 CE LYS A 120 6.664 -5.072 10.967 1.00 0.00 C ATOM 1848 NZ LYS A 120 6.284 -6.497 11.176 1.00 0.00 N ATOM 0 H LYS A 120 4.106 -7.161 6.858 1.00 0.00 H new ATOM 0 HA LYS A 120 4.465 -6.299 9.527 1.00 0.00 H new ATOM 0 HB2 LYS A 120 6.326 -6.471 7.992 1.00 0.00 H new ATOM 0 HB3 LYS A 120 5.565 -5.387 6.845 1.00 0.00 H new ATOM 0 HG2 LYS A 120 6.926 -3.840 7.799 1.00 0.00 H new ATOM 0 HG3 LYS A 120 5.650 -3.741 8.997 1.00 0.00 H new ATOM 0 HD2 LYS A 120 7.845 -5.791 9.324 1.00 0.00 H new ATOM 0 HD3 LYS A 120 8.154 -4.120 9.749 1.00 0.00 H new ATOM 0 HE2 LYS A 120 7.318 -4.748 11.776 1.00 0.00 H new ATOM 0 HE3 LYS A 120 5.771 -4.448 11.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 5.310 -6.547 11.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 6.345 -7.009 10.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 6.931 -6.932 11.864 1.00 0.00 H new ATOM 1862 N ASP A 121 3.455 -3.868 7.528 1.00 0.00 N ATOM 1863 CA ASP A 121 2.695 -2.624 7.490 1.00 0.00 C ATOM 1864 C ASP A 121 1.938 -2.491 6.171 1.00 0.00 C ATOM 1865 O ASP A 121 2.370 -3.007 5.140 1.00 0.00 O ATOM 1866 CB ASP A 121 3.626 -1.426 7.680 1.00 0.00 C ATOM 1867 CG ASP A 121 3.839 -1.085 9.142 1.00 0.00 C ATOM 1868 OD1 ASP A 121 3.045 -0.292 9.688 1.00 0.00 O ATOM 1869 OD2 ASP A 121 4.801 -1.611 9.740 1.00 0.00 O ATOM 0 H ASP A 121 3.942 -4.091 6.660 1.00 0.00 H new ATOM 0 HA ASP A 121 1.971 -2.644 8.305 1.00 0.00 H new ATOM 0 HB2 ASP A 121 4.589 -1.640 7.216 1.00 0.00 H new ATOM 0 HB3 ASP A 121 3.209 -0.560 7.165 1.00 0.00 H new ATOM 1874 N VAL A 122 0.805 -1.797 6.213 1.00 0.00 N ATOM 1875 CA VAL A 122 -0.011 -1.595 5.022 1.00 0.00 C ATOM 1876 C VAL A 122 -0.666 -0.219 5.032 1.00 0.00 C ATOM 1877 O VAL A 122 -1.626 0.019 5.766 1.00 0.00 O ATOM 1878 CB VAL A 122 -1.107 -2.672 4.906 1.00 0.00 C ATOM 1879 CG1 VAL A 122 -2.148 -2.264 3.875 1.00 0.00 C ATOM 1880 CG2 VAL A 122 -0.493 -4.019 4.552 1.00 0.00 C ATOM 0 H VAL A 122 0.432 -1.366 7.059 1.00 0.00 H new ATOM 0 HA VAL A 122 0.656 -1.670 4.163 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.604 -2.767 5.871 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.914 -3.036 3.806 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -2.608 -1.322 4.175 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.669 -2.141 2.904 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.280 -4.769 4.474 1.00 0.00 H new ATOM 0 HG22 VAL A 122 0.030 -3.941 3.599 1.00 0.00 H new ATOM 0 HG23 VAL A 122 0.212 -4.313 5.330 1.00 0.00 H new ATOM 1890 N TYR A 123 -0.142 0.685 4.212 1.00 0.00 N ATOM 1891 CA TYR A 123 -0.675 2.039 4.126 1.00 0.00 C ATOM 1892 C TYR A 123 -0.936 2.433 2.675 1.00 0.00 C ATOM 1893 O TYR A 123 -0.434 1.796 1.749 1.00 0.00 O ATOM 1894 CB TYR A 123 0.296 3.033 4.768 1.00 0.00 C ATOM 1895 CG TYR A 123 1.685 2.994 4.172 1.00 0.00 C ATOM 1896 CD1 TYR A 123 2.506 1.886 4.347 1.00 0.00 C ATOM 1897 CD2 TYR A 123 2.176 4.064 3.433 1.00 0.00 C ATOM 1898 CE1 TYR A 123 3.776 1.846 3.805 1.00 0.00 C ATOM 1899 CE2 TYR A 123 3.444 4.031 2.887 1.00 0.00 C ATOM 1900 CZ TYR A 123 4.241 2.920 3.074 1.00 0.00 C ATOM 1901 OH TYR A 123 5.505 2.884 2.533 1.00 0.00 O ATOM 0 H TYR A 123 0.652 0.504 3.597 1.00 0.00 H new ATOM 0 HA TYR A 123 -1.622 2.063 4.666 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -0.107 4.040 4.664 1.00 0.00 H new ATOM 0 HB3 TYR A 123 0.362 2.825 5.836 1.00 0.00 H new ATOM 0 HD1 TYR A 123 2.145 1.042 4.916 1.00 0.00 H new ATOM 0 HD2 TYR A 123 1.556 4.935 3.283 1.00 0.00 H new ATOM 0 HE1 TYR A 123 4.402 0.978 3.953 1.00 0.00 H new ATOM 0 HE2 TYR A 123 3.810 4.871 2.316 1.00 0.00 H new ATOM 0 HH TYR A 123 5.677 3.718 2.048 1.00 0.00 H new ATOM 1911 N ASP A 124 -1.724 3.484 2.487 1.00 0.00 N ATOM 1912 CA ASP A 124 -2.052 3.964 1.149 1.00 0.00 C ATOM 1913 C ASP A 124 -1.472 5.356 0.913 1.00 0.00 C ATOM 1914 O ASP A 124 -1.887 6.328 1.546 1.00 0.00 O ATOM 1915 CB ASP A 124 -3.568 3.990 0.951 1.00 0.00 C ATOM 1916 CG ASP A 124 -4.276 4.822 2.003 1.00 0.00 C ATOM 1917 OD1 ASP A 124 -3.648 5.130 3.037 1.00 0.00 O ATOM 1918 OD2 ASP A 124 -5.457 5.166 1.791 1.00 0.00 O ATOM 0 H ASP A 124 -2.148 4.021 3.243 1.00 0.00 H new ATOM 0 HA ASP A 124 -1.610 3.279 0.426 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -3.795 4.389 -0.037 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -3.953 2.970 0.979 1.00 0.00 H new