USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 746 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 87 LYS NZ :NH3+ 157:sc= 0.612 (180deg=-0.285) USER MOD Set 1.2: A 97 SER OG : rot 78:sc= 1.52 USER MOD Set 2.1: A 26 TYR OH : rot -177:sc= 1.28 USER MOD Set 2.2: A 39 THR OG1 : rot -160:sc= 1.01 USER MOD Single : A 12 ASN : amide:sc= 0.418 X(o=0.42,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.0211 X(o=-0.021,f=0) USER MOD Single : A 24 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 1.13 K(o=1.1,f=-0.0061) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0.608 K(o=0.61,f=-0.12) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.427 X(o=-0.43,f=-0.14) USER MOD Single : A 59 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00161) USER MOD Single : A 61 ASN : amide:sc= 0.164 K(o=0.16,f=-8.5!) USER MOD Single : A 63 LYS NZ :NH3+ -175:sc= -0.0131 (180deg=-0.0544) USER MOD Single : A 64 GLN : amide:sc= -0.389 X(o=-0.39,f=-0.48) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -65:sc= 0.11 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.058) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= 0.494 K(o=0.49,f=-5.3!) USER MOD Single : A 77 ASN : amide:sc= 0.252 X(o=0.25,f=-0.0015) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot -153:sc= 0.171 USER MOD Single : A 95 THR OG1 : rot 67:sc= 1.21 USER MOD Single : A 96 TYR OH : rot -12:sc= 0.706 USER MOD Single : A 98 LYS NZ :NH3+ 159:sc= 1.25 (180deg=1.01) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= -0.118 USER MOD ----------------------------------------------------------------- ATOM 173 N VAL A 11 0.435 -16.772 5.195 1.00 0.00 N ATOM 174 CA VAL A 11 0.853 -15.391 4.914 1.00 0.00 C ATOM 175 C VAL A 11 -0.076 -14.428 5.656 1.00 0.00 C ATOM 176 O VAL A 11 -1.271 -14.702 5.792 1.00 0.00 O ATOM 177 CB VAL A 11 0.812 -15.103 3.396 1.00 0.00 C ATOM 178 CG1 VAL A 11 1.361 -13.711 3.091 1.00 0.00 C ATOM 179 CG2 VAL A 11 1.637 -16.105 2.579 1.00 0.00 C ATOM 0 HA VAL A 11 1.879 -15.253 5.256 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.237 -15.185 3.112 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.322 -13.532 2.017 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.760 -12.962 3.606 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.394 -13.644 3.432 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.571 -15.853 1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.679 -16.064 2.898 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.248 -17.111 2.737 1.00 0.00 H new ATOM 189 N ASN A 12 0.460 -13.306 6.140 1.00 0.00 N ATOM 190 CA ASN A 12 -0.273 -12.220 6.805 1.00 0.00 C ATOM 191 C ASN A 12 0.327 -10.848 6.460 1.00 0.00 C ATOM 192 O ASN A 12 1.471 -10.739 6.018 1.00 0.00 O ATOM 193 CB ASN A 12 -0.212 -12.406 8.336 1.00 0.00 C ATOM 194 CG ASN A 12 -1.480 -12.979 8.941 1.00 0.00 C ATOM 195 OD1 ASN A 12 -2.112 -12.375 9.795 1.00 0.00 O ATOM 196 ND2 ASN A 12 -1.922 -14.129 8.500 1.00 0.00 N ATOM 0 H ASN A 12 1.461 -13.118 6.078 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.305 -12.257 6.455 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.623 -13.064 8.578 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.004 -11.442 8.800 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.790 -14.517 8.869 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -1.398 -14.637 7.787 1.00 0.00 H new ATOM 203 N LEU A 13 -0.420 -9.788 6.778 1.00 0.00 N ATOM 204 CA LEU A 13 0.039 -8.404 6.686 1.00 0.00 C ATOM 205 C LEU A 13 1.320 -8.105 7.468 1.00 0.00 C ATOM 206 O LEU A 13 2.181 -7.397 6.960 1.00 0.00 O ATOM 207 CB LEU A 13 -1.083 -7.477 7.172 1.00 0.00 C ATOM 208 CG LEU A 13 -1.849 -6.855 6.004 1.00 0.00 C ATOM 209 CD1 LEU A 13 -3.019 -6.070 6.601 1.00 0.00 C ATOM 210 CD2 LEU A 13 -0.960 -5.895 5.217 1.00 0.00 C ATOM 0 H LEU A 13 -1.380 -9.872 7.113 1.00 0.00 H new ATOM 0 HA LEU A 13 0.284 -8.230 5.638 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.773 -8.040 7.801 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.659 -6.686 7.791 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.188 -7.637 5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.594 -5.608 5.799 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.661 -6.747 7.165 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.636 -5.295 7.265 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.529 -5.466 4.392 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.616 -5.096 5.874 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.100 -6.436 4.822 1.00 0.00 H new ATOM 222 N ASP A 14 1.479 -8.657 8.672 1.00 0.00 N ATOM 223 CA ASP A 14 2.688 -8.455 9.478 1.00 0.00 C ATOM 224 C ASP A 14 3.972 -8.843 8.724 1.00 0.00 C ATOM 225 O ASP A 14 4.995 -8.174 8.850 1.00 0.00 O ATOM 226 CB ASP A 14 2.586 -9.265 10.773 1.00 0.00 C ATOM 227 CG ASP A 14 1.563 -8.665 11.749 1.00 0.00 C ATOM 228 OD1 ASP A 14 1.933 -7.762 12.537 1.00 0.00 O ATOM 229 OD2 ASP A 14 0.386 -9.100 11.731 1.00 0.00 O ATOM 0 H ASP A 14 0.780 -9.253 9.115 1.00 0.00 H new ATOM 0 HA ASP A 14 2.753 -7.390 9.702 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.303 -10.291 10.537 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.564 -9.306 11.253 1.00 0.00 H new ATOM 234 N GLU A 15 3.903 -9.887 7.895 1.00 0.00 N ATOM 235 CA GLU A 15 4.978 -10.300 6.993 1.00 0.00 C ATOM 236 C GLU A 15 5.112 -9.370 5.767 1.00 0.00 C ATOM 237 O GLU A 15 6.231 -9.083 5.353 1.00 0.00 O ATOM 238 CB GLU A 15 4.753 -11.785 6.645 1.00 0.00 C ATOM 239 CG GLU A 15 5.443 -12.280 5.374 1.00 0.00 C ATOM 240 CD GLU A 15 5.475 -13.818 5.308 1.00 0.00 C ATOM 241 OE1 GLU A 15 4.398 -14.453 5.401 1.00 0.00 O ATOM 242 OE2 GLU A 15 6.578 -14.402 5.164 1.00 0.00 O ATOM 0 H GLU A 15 3.077 -10.483 7.832 1.00 0.00 H new ATOM 0 HA GLU A 15 5.946 -10.204 7.484 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.097 -12.392 7.483 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.681 -11.957 6.545 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.922 -11.889 4.500 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.461 -11.893 5.338 1.00 0.00 H new ATOM 249 N ILE A 16 4.019 -8.819 5.227 1.00 0.00 N ATOM 250 CA ILE A 16 4.034 -7.921 4.041 1.00 0.00 C ATOM 251 C ILE A 16 4.958 -6.712 4.244 1.00 0.00 C ATOM 252 O ILE A 16 5.908 -6.524 3.485 1.00 0.00 O ATOM 253 CB ILE A 16 2.578 -7.564 3.601 1.00 0.00 C ATOM 254 CG1 ILE A 16 1.883 -8.809 3.007 1.00 0.00 C ATOM 255 CG2 ILE A 16 2.434 -6.402 2.614 1.00 0.00 C ATOM 256 CD1 ILE A 16 2.558 -9.361 1.730 1.00 0.00 C ATOM 0 H ILE A 16 3.082 -8.979 5.598 1.00 0.00 H new ATOM 0 HA ILE A 16 4.475 -8.456 3.200 1.00 0.00 H new ATOM 0 HB ILE A 16 2.101 -7.225 4.520 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.862 -9.595 3.762 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.847 -8.559 2.778 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.380 -6.249 2.384 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.844 -5.495 3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.976 -6.634 1.697 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.009 -10.234 1.377 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.555 -8.593 0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.586 -9.645 1.956 1.00 0.00 H new ATOM 268 N LEU A 17 4.763 -5.946 5.314 1.00 0.00 N ATOM 269 CA LEU A 17 5.586 -4.771 5.648 1.00 0.00 C ATOM 270 C LEU A 17 6.988 -5.165 6.156 1.00 0.00 C ATOM 271 O LEU A 17 7.936 -4.395 5.990 1.00 0.00 O ATOM 272 CB LEU A 17 4.899 -3.873 6.704 1.00 0.00 C ATOM 273 CG LEU A 17 3.749 -4.509 7.508 1.00 0.00 C ATOM 274 CD1 LEU A 17 3.453 -3.713 8.768 1.00 0.00 C ATOM 275 CD2 LEU A 17 2.462 -4.439 6.699 1.00 0.00 C ATOM 0 H LEU A 17 4.018 -6.121 5.989 1.00 0.00 H new ATOM 0 HA LEU A 17 5.697 -4.212 4.719 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.659 -3.532 7.408 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.513 -2.988 6.199 1.00 0.00 H new ATOM 0 HG LEU A 17 4.054 -5.529 7.741 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.637 -4.186 9.314 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.342 -3.684 9.397 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.167 -2.697 8.497 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.649 -4.889 7.269 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.222 -3.397 6.486 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.591 -4.980 5.762 1.00 0.00 H new ATOM 287 N ALA A 18 7.126 -6.338 6.784 1.00 0.00 N ATOM 288 CA ALA A 18 8.391 -6.809 7.352 1.00 0.00 C ATOM 289 C ALA A 18 9.376 -7.307 6.280 1.00 0.00 C ATOM 290 O ALA A 18 10.593 -7.283 6.484 1.00 0.00 O ATOM 291 CB ALA A 18 8.097 -7.958 8.318 1.00 0.00 C ATOM 0 H ALA A 18 6.354 -6.992 6.913 1.00 0.00 H new ATOM 0 HA ALA A 18 8.857 -5.965 7.860 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.031 -8.319 8.749 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.442 -7.605 9.115 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.608 -8.770 7.780 1.00 0.00 H new ATOM 297 N ASN A 19 8.845 -7.769 5.147 1.00 0.00 N ATOM 298 CA ASN A 19 9.567 -8.470 4.093 1.00 0.00 C ATOM 299 C ASN A 19 9.352 -7.737 2.760 1.00 0.00 C ATOM 300 O ASN A 19 8.484 -8.081 1.956 1.00 0.00 O ATOM 301 CB ASN A 19 9.131 -9.954 4.078 1.00 0.00 C ATOM 302 CG ASN A 19 10.215 -10.927 4.487 1.00 0.00 C ATOM 303 OD1 ASN A 19 10.079 -11.706 5.419 1.00 0.00 O ATOM 304 ND2 ASN A 19 11.320 -10.940 3.783 1.00 0.00 N ATOM 0 H ASN A 19 7.854 -7.658 4.933 1.00 0.00 H new ATOM 0 HA ASN A 19 10.642 -8.469 4.274 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.278 -10.077 4.746 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.789 -10.210 3.075 1.00 0.00 H new ATOM 0 HD21 ASN A 19 12.064 -11.599 4.013 1.00 0.00 H new ATOM 0 HD22 ASN A 19 11.436 -10.291 3.005 1.00 0.00 H new ATOM 311 N ASP A 20 10.166 -6.710 2.516 1.00 0.00 N ATOM 312 CA ASP A 20 10.106 -5.875 1.310 1.00 0.00 C ATOM 313 C ASP A 20 10.156 -6.664 -0.009 1.00 0.00 C ATOM 314 O ASP A 20 9.608 -6.202 -1.008 1.00 0.00 O ATOM 315 CB ASP A 20 11.223 -4.824 1.340 1.00 0.00 C ATOM 316 CG ASP A 20 12.630 -5.421 1.160 1.00 0.00 C ATOM 317 OD1 ASP A 20 13.141 -6.066 2.105 1.00 0.00 O ATOM 318 OD2 ASP A 20 13.222 -5.248 0.068 1.00 0.00 O ATOM 0 H ASP A 20 10.902 -6.427 3.163 1.00 0.00 H new ATOM 0 HA ASP A 20 9.129 -5.392 1.330 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.044 -4.092 0.553 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.182 -4.289 2.289 1.00 0.00 H new ATOM 323 N ARG A 21 10.753 -7.865 -0.020 1.00 0.00 N ATOM 324 CA ARG A 21 10.709 -8.809 -1.157 1.00 0.00 C ATOM 325 C ARG A 21 9.287 -9.088 -1.660 1.00 0.00 C ATOM 326 O ARG A 21 9.050 -9.173 -2.865 1.00 0.00 O ATOM 327 CB ARG A 21 11.445 -10.119 -0.797 1.00 0.00 C ATOM 328 CG ARG A 21 10.684 -11.076 0.139 1.00 0.00 C ATOM 329 CD ARG A 21 11.526 -12.294 0.536 1.00 0.00 C ATOM 330 NE ARG A 21 10.762 -13.198 1.422 1.00 0.00 N ATOM 331 CZ ARG A 21 11.213 -14.276 2.037 1.00 0.00 C ATOM 332 NH1 ARG A 21 12.441 -14.692 1.894 1.00 0.00 N ATOM 333 NH2 ARG A 21 10.434 -14.966 2.820 1.00 0.00 N ATOM 0 H ARG A 21 11.290 -8.218 0.772 1.00 0.00 H new ATOM 0 HA ARG A 21 11.227 -8.328 -1.987 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.676 -10.650 -1.720 1.00 0.00 H new ATOM 0 HB3 ARG A 21 12.396 -9.863 -0.330 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.382 -10.538 1.037 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.772 -11.413 -0.353 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.837 -12.833 -0.359 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.434 -11.964 1.042 1.00 0.00 H new ATOM 0 HE ARG A 21 9.781 -12.964 1.575 1.00 0.00 H new ATOM 0 HH11 ARG A 21 13.086 -14.180 1.292 1.00 0.00 H new ATOM 0 HH12 ARG A 21 12.756 -15.529 2.384 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.467 -14.675 2.962 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.791 -15.797 3.291 1.00 0.00 H new ATOM 347 N LEU A 22 8.347 -9.198 -0.720 1.00 0.00 N ATOM 348 CA LEU A 22 6.910 -9.342 -0.961 1.00 0.00 C ATOM 349 C LEU A 22 6.316 -7.986 -1.348 1.00 0.00 C ATOM 350 O LEU A 22 5.637 -7.868 -2.366 1.00 0.00 O ATOM 351 CB LEU A 22 6.209 -9.853 0.316 1.00 0.00 C ATOM 352 CG LEU A 22 6.810 -11.133 0.920 1.00 0.00 C ATOM 353 CD1 LEU A 22 6.304 -11.348 2.336 1.00 0.00 C ATOM 354 CD2 LEU A 22 6.440 -12.365 0.106 1.00 0.00 C ATOM 0 H LEU A 22 8.576 -9.189 0.274 1.00 0.00 H new ATOM 0 HA LEU A 22 6.758 -10.057 -1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.239 -9.065 1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.159 -10.035 0.088 1.00 0.00 H new ATOM 0 HG LEU A 22 7.892 -11.001 0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.742 -12.259 2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.589 -10.499 2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.218 -11.441 2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.883 -13.250 0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.356 -12.473 0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.816 -12.256 -0.911 1.00 0.00 H new ATOM 366 N LEU A 23 6.622 -6.951 -0.557 1.00 0.00 N ATOM 367 CA LEU A 23 6.064 -5.609 -0.719 1.00 0.00 C ATOM 368 C LEU A 23 6.310 -5.060 -2.140 1.00 0.00 C ATOM 369 O LEU A 23 5.393 -4.560 -2.783 1.00 0.00 O ATOM 370 CB LEU A 23 6.638 -4.681 0.376 1.00 0.00 C ATOM 371 CG LEU A 23 5.692 -3.576 0.852 1.00 0.00 C ATOM 372 CD1 LEU A 23 5.028 -2.832 -0.300 1.00 0.00 C ATOM 373 CD2 LEU A 23 4.639 -4.176 1.771 1.00 0.00 C ATOM 0 H LEU A 23 7.274 -7.026 0.224 1.00 0.00 H new ATOM 0 HA LEU A 23 4.982 -5.655 -0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.922 -5.290 1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.550 -4.219 -0.002 1.00 0.00 H new ATOM 0 HG LEU A 23 6.288 -2.841 1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.369 -2.060 0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.793 -2.370 -0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.447 -3.533 -0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.964 -3.391 2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.072 -4.933 1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.126 -4.635 2.632 1.00 0.00 H new ATOM 385 N ASN A 24 7.525 -5.235 -2.671 1.00 0.00 N ATOM 386 CA ASN A 24 7.913 -4.817 -4.024 1.00 0.00 C ATOM 387 C ASN A 24 6.993 -5.376 -5.123 1.00 0.00 C ATOM 388 O ASN A 24 6.734 -4.666 -6.091 1.00 0.00 O ATOM 389 CB ASN A 24 9.380 -5.187 -4.300 1.00 0.00 C ATOM 390 CG ASN A 24 10.335 -4.109 -3.818 1.00 0.00 C ATOM 391 OD1 ASN A 24 10.769 -3.242 -4.564 1.00 0.00 O ATOM 392 ND2 ASN A 24 10.675 -4.108 -2.553 1.00 0.00 N ATOM 0 H ASN A 24 8.285 -5.683 -2.159 1.00 0.00 H new ATOM 0 HA ASN A 24 7.801 -3.733 -4.058 1.00 0.00 H new ATOM 0 HB2 ASN A 24 9.616 -6.129 -3.805 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.520 -5.345 -5.369 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.299 -3.386 -2.193 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.315 -4.829 -1.928 1.00 0.00 H new ATOM 399 N LYS A 25 6.450 -6.590 -4.964 1.00 0.00 N ATOM 400 CA LYS A 25 5.462 -7.179 -5.888 1.00 0.00 C ATOM 401 C LYS A 25 4.087 -6.515 -5.735 1.00 0.00 C ATOM 402 O LYS A 25 3.444 -6.176 -6.729 1.00 0.00 O ATOM 403 CB LYS A 25 5.385 -8.698 -5.635 1.00 0.00 C ATOM 404 CG LYS A 25 4.495 -9.434 -6.650 1.00 0.00 C ATOM 405 CD LYS A 25 4.283 -10.915 -6.292 1.00 0.00 C ATOM 406 CE LYS A 25 5.565 -11.762 -6.239 1.00 0.00 C ATOM 407 NZ LYS A 25 6.185 -11.943 -7.579 1.00 0.00 N ATOM 0 H LYS A 25 6.685 -7.201 -4.182 1.00 0.00 H new ATOM 0 HA LYS A 25 5.781 -7.002 -6.915 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.390 -9.118 -5.671 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.002 -8.874 -4.630 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.527 -8.936 -6.706 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.947 -9.365 -7.640 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.788 -10.971 -5.322 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.604 -11.356 -7.022 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.283 -11.286 -5.571 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.334 -12.739 -5.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.045 -12.521 -7.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.512 -12.421 -8.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.432 -11.014 -7.976 1.00 0.00 H new ATOM 421 N TYR A 26 3.664 -6.284 -4.491 1.00 0.00 N ATOM 422 CA TYR A 26 2.388 -5.643 -4.146 1.00 0.00 C ATOM 423 C TYR A 26 2.307 -4.198 -4.669 1.00 0.00 C ATOM 424 O TYR A 26 1.253 -3.787 -5.150 1.00 0.00 O ATOM 425 CB TYR A 26 2.162 -5.696 -2.622 1.00 0.00 C ATOM 426 CG TYR A 26 1.654 -7.023 -2.072 1.00 0.00 C ATOM 427 CD1 TYR A 26 2.354 -8.226 -2.299 1.00 0.00 C ATOM 428 CD2 TYR A 26 0.469 -7.053 -1.312 1.00 0.00 C ATOM 429 CE1 TYR A 26 1.857 -9.447 -1.809 1.00 0.00 C ATOM 430 CE2 TYR A 26 -0.032 -8.272 -0.812 1.00 0.00 C ATOM 431 CZ TYR A 26 0.648 -9.478 -1.083 1.00 0.00 C ATOM 432 OH TYR A 26 0.141 -10.670 -0.673 1.00 0.00 O ATOM 0 H TYR A 26 4.213 -6.544 -3.671 1.00 0.00 H new ATOM 0 HA TYR A 26 1.591 -6.200 -4.639 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.102 -5.455 -2.126 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.450 -4.916 -2.352 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.280 -8.210 -2.854 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.061 -6.134 -1.110 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.402 -10.362 -1.989 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.936 -8.283 -0.222 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.719 -10.524 -0.227 1.00 0.00 H new ATOM 442 N VAL A 27 3.411 -3.440 -4.645 1.00 0.00 N ATOM 443 CA VAL A 27 3.493 -2.095 -5.256 1.00 0.00 C ATOM 444 C VAL A 27 3.604 -2.145 -6.777 1.00 0.00 C ATOM 445 O VAL A 27 2.947 -1.359 -7.452 1.00 0.00 O ATOM 446 CB VAL A 27 4.623 -1.228 -4.660 1.00 0.00 C ATOM 447 CG1 VAL A 27 4.358 -0.995 -3.175 1.00 0.00 C ATOM 448 CG2 VAL A 27 6.009 -1.849 -4.802 1.00 0.00 C ATOM 0 H VAL A 27 4.279 -3.738 -4.201 1.00 0.00 H new ATOM 0 HA VAL A 27 2.547 -1.615 -5.006 1.00 0.00 H new ATOM 0 HB VAL A 27 4.619 -0.295 -5.224 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.156 -0.383 -2.755 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.404 -0.482 -3.052 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.324 -1.953 -2.657 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.752 -1.185 -4.361 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.031 -2.810 -4.288 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.235 -1.997 -5.858 1.00 0.00 H new ATOM 458 N GLN A 28 4.336 -3.106 -7.346 1.00 0.00 N ATOM 459 CA GLN A 28 4.457 -3.306 -8.803 1.00 0.00 C ATOM 460 C GLN A 28 3.100 -3.367 -9.526 1.00 0.00 C ATOM 461 O GLN A 28 3.003 -2.960 -10.682 1.00 0.00 O ATOM 462 CB GLN A 28 5.234 -4.602 -9.074 1.00 0.00 C ATOM 463 CG GLN A 28 6.358 -4.423 -10.099 1.00 0.00 C ATOM 464 CD GLN A 28 7.259 -5.658 -10.202 1.00 0.00 C ATOM 465 OE1 GLN A 28 7.798 -6.163 -9.225 1.00 0.00 O ATOM 466 NE2 GLN A 28 7.477 -6.189 -11.384 1.00 0.00 N ATOM 0 H GLN A 28 4.873 -3.782 -6.803 1.00 0.00 H new ATOM 0 HA GLN A 28 4.987 -2.439 -9.198 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.658 -4.967 -8.139 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.543 -5.366 -9.431 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.924 -4.211 -11.076 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.962 -3.558 -9.824 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.039 -5.786 -12.213 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.084 -7.004 -11.473 1.00 0.00 H new ATOM 475 N CYS A 29 2.056 -3.817 -8.818 1.00 0.00 N ATOM 476 CA CYS A 29 0.653 -3.824 -9.233 1.00 0.00 C ATOM 477 C CYS A 29 0.130 -2.491 -9.806 1.00 0.00 C ATOM 478 O CYS A 29 -0.738 -2.498 -10.682 1.00 0.00 O ATOM 479 CB CYS A 29 -0.169 -4.245 -8.007 1.00 0.00 C ATOM 480 SG CYS A 29 -1.966 -4.360 -8.195 1.00 0.00 S ATOM 0 H CYS A 29 2.179 -4.209 -7.884 1.00 0.00 H new ATOM 0 HA CYS A 29 0.554 -4.521 -10.066 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.196 -5.217 -7.677 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.039 -3.537 -7.205 1.00 0.00 H new ATOM 485 N LEU A 30 0.679 -1.359 -9.347 1.00 0.00 N ATOM 486 CA LEU A 30 0.368 -0.018 -9.855 1.00 0.00 C ATOM 487 C LEU A 30 1.613 0.824 -10.222 1.00 0.00 C ATOM 488 O LEU A 30 1.476 1.871 -10.857 1.00 0.00 O ATOM 489 CB LEU A 30 -0.633 0.704 -8.919 1.00 0.00 C ATOM 490 CG LEU A 30 -0.294 0.944 -7.428 1.00 0.00 C ATOM 491 CD1 LEU A 30 -0.432 -0.303 -6.551 1.00 0.00 C ATOM 492 CD2 LEU A 30 1.102 1.517 -7.213 1.00 0.00 C ATOM 0 H LEU A 30 1.368 -1.351 -8.595 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.131 -0.148 -10.815 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.839 1.679 -9.361 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.564 0.138 -8.948 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.041 1.676 -7.121 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.177 -0.053 -5.521 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.459 -0.666 -6.593 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.242 -1.079 -6.913 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.276 1.661 -6.147 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.844 0.826 -7.611 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.185 2.475 -7.727 1.00 0.00 H new ATOM 504 N LEU A 31 2.821 0.369 -9.859 1.00 0.00 N ATOM 505 CA LEU A 31 4.101 0.982 -10.238 1.00 0.00 C ATOM 506 C LEU A 31 4.429 0.714 -11.719 1.00 0.00 C ATOM 507 O LEU A 31 4.753 1.652 -12.451 1.00 0.00 O ATOM 508 CB LEU A 31 5.185 0.525 -9.223 1.00 0.00 C ATOM 509 CG LEU A 31 6.556 0.031 -9.728 1.00 0.00 C ATOM 510 CD1 LEU A 31 7.395 1.131 -10.368 1.00 0.00 C ATOM 511 CD2 LEU A 31 7.359 -0.525 -8.549 1.00 0.00 C ATOM 0 H LEU A 31 2.937 -0.460 -9.276 1.00 0.00 H new ATOM 0 HA LEU A 31 4.053 2.069 -10.176 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.370 1.361 -8.548 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.752 -0.277 -8.625 1.00 0.00 H new ATOM 0 HG LEU A 31 6.349 -0.726 -10.484 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.346 0.716 -10.701 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.861 1.545 -11.223 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.579 1.919 -9.638 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.329 -0.875 -8.902 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.505 0.259 -7.806 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.816 -1.355 -8.098 1.00 0.00 H new ATOM 523 N GLU A 32 4.317 -0.534 -12.190 1.00 0.00 N ATOM 524 CA GLU A 32 4.539 -0.851 -13.608 1.00 0.00 C ATOM 525 C GLU A 32 3.340 -0.458 -14.497 1.00 0.00 C ATOM 526 O GLU A 32 2.222 -0.233 -14.027 1.00 0.00 O ATOM 527 CB GLU A 32 4.870 -2.346 -13.794 1.00 0.00 C ATOM 528 CG GLU A 32 6.352 -2.641 -13.531 1.00 0.00 C ATOM 529 CD GLU A 32 6.735 -4.051 -14.021 1.00 0.00 C ATOM 530 OE1 GLU A 32 6.129 -5.048 -13.558 1.00 0.00 O ATOM 531 OE2 GLU A 32 7.661 -4.174 -14.859 1.00 0.00 O ATOM 0 H GLU A 32 4.075 -1.339 -11.613 1.00 0.00 H new ATOM 0 HA GLU A 32 5.393 -0.254 -13.929 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.256 -2.941 -13.118 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.614 -2.651 -14.809 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.969 -1.898 -14.036 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.559 -2.555 -12.464 1.00 0.00 H new ATOM 538 N ASP A 33 3.565 -0.433 -15.815 1.00 0.00 N ATOM 539 CA ASP A 33 2.537 -0.243 -16.852 1.00 0.00 C ATOM 540 C ASP A 33 1.573 -1.449 -17.020 1.00 0.00 C ATOM 541 O ASP A 33 0.677 -1.414 -17.867 1.00 0.00 O ATOM 542 CB ASP A 33 3.236 0.075 -18.186 1.00 0.00 C ATOM 543 CG ASP A 33 4.029 1.391 -18.130 1.00 0.00 C ATOM 544 OD1 ASP A 33 3.411 2.478 -18.236 1.00 0.00 O ATOM 545 OD2 ASP A 33 5.277 1.344 -17.998 1.00 0.00 O ATOM 0 H ASP A 33 4.500 -0.548 -16.206 1.00 0.00 H new ATOM 0 HA ASP A 33 1.906 0.586 -16.531 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.910 -0.742 -18.444 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.490 0.136 -18.979 1.00 0.00 H new ATOM 550 N ASP A 34 1.729 -2.511 -16.219 1.00 0.00 N ATOM 551 CA ASP A 34 0.948 -3.755 -16.262 1.00 0.00 C ATOM 552 C ASP A 34 0.555 -4.224 -14.846 1.00 0.00 C ATOM 553 O ASP A 34 1.284 -4.018 -13.872 1.00 0.00 O ATOM 554 CB ASP A 34 1.759 -4.857 -16.964 1.00 0.00 C ATOM 555 CG ASP A 34 1.982 -4.582 -18.461 1.00 0.00 C ATOM 556 OD1 ASP A 34 1.051 -4.824 -19.268 1.00 0.00 O ATOM 557 OD2 ASP A 34 3.103 -4.167 -18.847 1.00 0.00 O ATOM 0 H ASP A 34 2.439 -2.527 -15.487 1.00 0.00 H new ATOM 0 HA ASP A 34 0.033 -3.557 -16.820 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.726 -4.958 -16.471 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.242 -5.810 -16.849 1.00 0.00 H new ATOM 562 N GLU A 35 -0.589 -4.901 -14.742 1.00 0.00 N ATOM 563 CA GLU A 35 -1.246 -5.305 -13.484 1.00 0.00 C ATOM 564 C GLU A 35 -1.189 -6.826 -13.226 1.00 0.00 C ATOM 565 O GLU A 35 -1.829 -7.347 -12.311 1.00 0.00 O ATOM 566 CB GLU A 35 -2.683 -4.738 -13.434 1.00 0.00 C ATOM 567 CG GLU A 35 -3.676 -5.328 -14.452 1.00 0.00 C ATOM 568 CD GLU A 35 -3.492 -4.755 -15.870 1.00 0.00 C ATOM 569 OE1 GLU A 35 -2.658 -5.291 -16.639 1.00 0.00 O ATOM 570 OE2 GLU A 35 -4.183 -3.769 -16.228 1.00 0.00 O ATOM 0 H GLU A 35 -1.112 -5.199 -15.565 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.681 -4.870 -12.660 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.081 -4.899 -12.432 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.633 -3.660 -13.588 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.555 -6.411 -14.485 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.694 -5.131 -14.115 1.00 0.00 H new ATOM 577 N SER A 36 -0.383 -7.554 -13.999 1.00 0.00 N ATOM 578 CA SER A 36 -0.081 -8.983 -13.791 1.00 0.00 C ATOM 579 C SER A 36 0.530 -9.300 -12.422 1.00 0.00 C ATOM 580 O SER A 36 0.351 -10.397 -11.890 1.00 0.00 O ATOM 581 CB SER A 36 0.895 -9.465 -14.864 1.00 0.00 C ATOM 582 OG SER A 36 2.016 -8.595 -14.962 1.00 0.00 O ATOM 0 H SER A 36 0.094 -7.162 -14.811 1.00 0.00 H new ATOM 0 HA SER A 36 -1.040 -9.497 -13.849 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.233 -10.474 -14.626 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.386 -9.518 -15.826 1.00 0.00 H new ATOM 0 HG SER A 36 2.627 -8.925 -15.654 1.00 0.00 H new ATOM 588 N ASN A 37 1.241 -8.333 -11.837 1.00 0.00 N ATOM 589 CA ASN A 37 1.901 -8.445 -10.538 1.00 0.00 C ATOM 590 C ASN A 37 0.932 -8.523 -9.342 1.00 0.00 C ATOM 591 O ASN A 37 1.348 -8.881 -8.240 1.00 0.00 O ATOM 592 CB ASN A 37 2.813 -7.223 -10.374 1.00 0.00 C ATOM 593 CG ASN A 37 3.873 -7.117 -11.458 1.00 0.00 C ATOM 594 OD1 ASN A 37 4.753 -7.958 -11.578 1.00 0.00 O ATOM 595 ND2 ASN A 37 3.826 -6.075 -12.257 1.00 0.00 N ATOM 0 H ASN A 37 1.376 -7.420 -12.271 1.00 0.00 H new ATOM 0 HA ASN A 37 2.455 -9.384 -10.531 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.204 -6.319 -10.381 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.301 -7.270 -9.401 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.528 -5.960 -12.988 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.087 -5.381 -12.147 1.00 0.00 H new ATOM 602 N CYS A 38 -0.339 -8.151 -9.526 1.00 0.00 N ATOM 603 CA CYS A 38 -1.308 -8.048 -8.429 1.00 0.00 C ATOM 604 C CYS A 38 -1.686 -9.440 -7.872 1.00 0.00 C ATOM 605 O CYS A 38 -2.322 -10.237 -8.569 1.00 0.00 O ATOM 606 CB CYS A 38 -2.552 -7.297 -8.920 1.00 0.00 C ATOM 607 SG CYS A 38 -2.287 -5.678 -9.701 1.00 0.00 S ATOM 0 H CYS A 38 -0.725 -7.913 -10.439 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.851 -7.492 -7.611 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.073 -7.936 -9.633 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.220 -7.157 -8.070 1.00 0.00 H new ATOM 612 N THR A 39 -1.305 -9.749 -6.626 1.00 0.00 N ATOM 613 CA THR A 39 -1.630 -11.033 -5.967 1.00 0.00 C ATOM 614 C THR A 39 -3.099 -11.103 -5.523 1.00 0.00 C ATOM 615 O THR A 39 -3.789 -10.082 -5.472 1.00 0.00 O ATOM 616 CB THR A 39 -0.721 -11.298 -4.753 1.00 0.00 C ATOM 617 OG1 THR A 39 -0.985 -10.354 -3.746 1.00 0.00 O ATOM 618 CG2 THR A 39 0.769 -11.223 -5.087 1.00 0.00 C ATOM 0 H THR A 39 -0.760 -9.117 -6.039 1.00 0.00 H new ATOM 0 HA THR A 39 -1.457 -11.805 -6.717 1.00 0.00 H new ATOM 0 HB THR A 39 -0.944 -12.313 -4.423 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.222 -10.308 -3.133 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.354 -11.419 -4.188 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.010 -11.967 -5.846 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.008 -10.229 -5.465 1.00 0.00 H new ATOM 626 N ALA A 40 -3.579 -12.301 -5.164 1.00 0.00 N ATOM 627 CA ALA A 40 -4.967 -12.571 -4.758 1.00 0.00 C ATOM 628 C ALA A 40 -5.493 -11.709 -3.585 1.00 0.00 C ATOM 629 O ALA A 40 -6.702 -11.495 -3.477 1.00 0.00 O ATOM 630 CB ALA A 40 -5.087 -14.067 -4.438 1.00 0.00 C ATOM 0 H ALA A 40 -2.994 -13.137 -5.147 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.604 -12.287 -5.595 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.109 -14.293 -4.134 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.835 -14.650 -5.324 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.403 -14.322 -3.629 1.00 0.00 H new ATOM 636 N ASP A 41 -4.601 -11.187 -2.735 1.00 0.00 N ATOM 637 CA ASP A 41 -4.922 -10.282 -1.617 1.00 0.00 C ATOM 638 C ASP A 41 -4.218 -8.914 -1.717 1.00 0.00 C ATOM 639 O ASP A 41 -4.741 -7.923 -1.203 1.00 0.00 O ATOM 640 CB ASP A 41 -4.644 -10.980 -0.277 1.00 0.00 C ATOM 641 CG ASP A 41 -3.168 -11.375 -0.101 1.00 0.00 C ATOM 642 OD1 ASP A 41 -2.367 -10.530 0.361 1.00 0.00 O ATOM 643 OD2 ASP A 41 -2.812 -12.531 -0.428 1.00 0.00 O ATOM 0 H ASP A 41 -3.603 -11.387 -2.806 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.987 -10.057 -1.678 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.937 -10.319 0.539 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.265 -11.873 -0.203 1.00 0.00 H new ATOM 648 N GLY A 42 -3.112 -8.804 -2.462 1.00 0.00 N ATOM 649 CA GLY A 42 -2.482 -7.526 -2.807 1.00 0.00 C ATOM 650 C GLY A 42 -3.379 -6.638 -3.662 1.00 0.00 C ATOM 651 O GLY A 42 -3.466 -5.434 -3.421 1.00 0.00 O ATOM 0 H GLY A 42 -2.623 -9.612 -2.847 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.220 -6.996 -1.891 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.552 -7.717 -3.342 1.00 0.00 H new ATOM 655 N LYS A 43 -4.116 -7.239 -4.605 1.00 0.00 N ATOM 656 CA LYS A 43 -5.146 -6.560 -5.412 1.00 0.00 C ATOM 657 C LYS A 43 -6.284 -5.952 -4.587 1.00 0.00 C ATOM 658 O LYS A 43 -6.817 -4.912 -4.961 1.00 0.00 O ATOM 659 CB LYS A 43 -5.699 -7.530 -6.479 1.00 0.00 C ATOM 660 CG LYS A 43 -6.640 -8.610 -5.903 1.00 0.00 C ATOM 661 CD LYS A 43 -6.939 -9.756 -6.877 1.00 0.00 C ATOM 662 CE LYS A 43 -7.699 -9.278 -8.121 1.00 0.00 C ATOM 663 NZ LYS A 43 -8.046 -10.411 -9.020 1.00 0.00 N ATOM 0 H LYS A 43 -4.014 -8.228 -4.835 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.654 -5.715 -5.895 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.236 -6.957 -7.235 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.864 -8.018 -6.982 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.193 -9.022 -4.998 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.579 -8.141 -5.610 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.003 -10.224 -7.183 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.525 -10.520 -6.367 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.610 -8.763 -7.816 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.091 -8.555 -8.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.559 -10.051 -9.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.175 -10.887 -9.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.647 -11.088 -8.509 1.00 0.00 H new ATOM 677 N GLU A 44 -6.643 -6.577 -3.469 1.00 0.00 N ATOM 678 CA GLU A 44 -7.648 -6.061 -2.536 1.00 0.00 C ATOM 679 C GLU A 44 -7.044 -4.952 -1.663 1.00 0.00 C ATOM 680 O GLU A 44 -7.606 -3.859 -1.606 1.00 0.00 O ATOM 681 CB GLU A 44 -8.215 -7.240 -1.724 1.00 0.00 C ATOM 682 CG GLU A 44 -9.063 -6.852 -0.502 1.00 0.00 C ATOM 683 CD GLU A 44 -10.287 -5.959 -0.810 1.00 0.00 C ATOM 684 OE1 GLU A 44 -10.886 -6.082 -1.906 1.00 0.00 O ATOM 685 OE2 GLU A 44 -10.677 -5.157 0.073 1.00 0.00 O ATOM 0 H GLU A 44 -6.240 -7.468 -3.179 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.478 -5.600 -3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.823 -7.856 -2.386 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.384 -7.860 -1.386 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.411 -7.764 -0.016 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.425 -6.333 0.214 1.00 0.00 H new ATOM 692 N LEU A 45 -5.865 -5.184 -1.068 1.00 0.00 N ATOM 693 CA LEU A 45 -5.115 -4.204 -0.274 1.00 0.00 C ATOM 694 C LEU A 45 -4.914 -2.894 -1.052 1.00 0.00 C ATOM 695 O LEU A 45 -5.343 -1.836 -0.597 1.00 0.00 O ATOM 696 CB LEU A 45 -3.796 -4.865 0.197 1.00 0.00 C ATOM 697 CG LEU A 45 -2.779 -3.915 0.871 1.00 0.00 C ATOM 698 CD1 LEU A 45 -2.042 -4.581 2.043 1.00 0.00 C ATOM 699 CD2 LEU A 45 -1.717 -3.433 -0.124 1.00 0.00 C ATOM 0 H LEU A 45 -5.394 -6.087 -1.129 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.678 -3.915 0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.040 -5.664 0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.316 -5.331 -0.663 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.368 -3.075 1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.340 -3.872 2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.764 -4.890 2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.498 -5.454 1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.019 -2.767 0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.176 -4.291 -0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.200 -2.897 -0.941 1.00 0.00 H new ATOM 711 N LYS A 46 -4.362 -2.951 -2.268 1.00 0.00 N ATOM 712 CA LYS A 46 -4.115 -1.756 -3.094 1.00 0.00 C ATOM 713 C LYS A 46 -5.394 -1.047 -3.547 1.00 0.00 C ATOM 714 O LYS A 46 -5.347 0.145 -3.832 1.00 0.00 O ATOM 715 CB LYS A 46 -3.195 -2.098 -4.283 1.00 0.00 C ATOM 716 CG LYS A 46 -3.895 -2.916 -5.381 1.00 0.00 C ATOM 717 CD LYS A 46 -4.388 -2.081 -6.575 1.00 0.00 C ATOM 718 CE LYS A 46 -5.247 -2.949 -7.504 1.00 0.00 C ATOM 719 NZ LYS A 46 -5.718 -2.183 -8.689 1.00 0.00 N ATOM 0 H LYS A 46 -4.073 -3.823 -2.710 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.602 -1.037 -2.455 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.814 -1.173 -4.716 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.334 -2.657 -3.917 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.206 -3.678 -5.745 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.745 -3.439 -4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.969 -1.230 -6.219 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.537 -1.679 -7.124 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.669 -3.812 -7.834 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.106 -3.333 -6.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.295 -2.801 -9.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.290 -1.374 -8.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.898 -1.838 -9.228 1.00 0.00 H new ATOM 733 N SER A 47 -6.513 -1.771 -3.639 1.00 0.00 N ATOM 734 CA SER A 47 -7.820 -1.237 -4.056 1.00 0.00 C ATOM 735 C SER A 47 -8.540 -0.498 -2.919 1.00 0.00 C ATOM 736 O SER A 47 -9.239 0.486 -3.170 1.00 0.00 O ATOM 737 CB SER A 47 -8.697 -2.374 -4.595 1.00 0.00 C ATOM 738 OG SER A 47 -9.907 -1.875 -5.139 1.00 0.00 O ATOM 0 H SER A 47 -6.540 -2.767 -3.422 1.00 0.00 H new ATOM 0 HA SER A 47 -7.641 -0.506 -4.845 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.151 -2.926 -5.361 1.00 0.00 H new ATOM 0 HB3 SER A 47 -8.919 -3.077 -3.792 1.00 0.00 H new ATOM 0 HG SER A 47 -10.446 -2.621 -5.477 1.00 0.00 H new ATOM 744 N VAL A 48 -8.308 -0.892 -1.660 1.00 0.00 N ATOM 745 CA VAL A 48 -8.818 -0.169 -0.480 1.00 0.00 C ATOM 746 C VAL A 48 -7.880 0.951 0.007 1.00 0.00 C ATOM 747 O VAL A 48 -8.353 1.891 0.647 1.00 0.00 O ATOM 748 CB VAL A 48 -9.182 -1.147 0.652 1.00 0.00 C ATOM 749 CG1 VAL A 48 -7.961 -1.843 1.241 1.00 0.00 C ATOM 750 CG2 VAL A 48 -9.878 -0.440 1.812 1.00 0.00 C ATOM 0 H VAL A 48 -7.761 -1.721 -1.427 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.730 0.336 -0.799 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.843 -1.877 0.184 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.276 -2.521 2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.453 -2.409 0.460 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.279 -1.097 1.650 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.118 -1.166 2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.218 0.325 2.221 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.796 0.026 1.455 1.00 0.00 H new ATOM 760 N ILE A 49 -6.578 0.927 -0.327 1.00 0.00 N ATOM 761 CA ILE A 49 -5.652 2.018 0.036 1.00 0.00 C ATOM 762 C ILE A 49 -6.204 3.397 -0.391 1.00 0.00 C ATOM 763 O ILE A 49 -6.228 4.299 0.448 1.00 0.00 O ATOM 764 CB ILE A 49 -4.202 1.804 -0.493 1.00 0.00 C ATOM 765 CG1 ILE A 49 -3.454 0.768 0.376 1.00 0.00 C ATOM 766 CG2 ILE A 49 -3.371 3.112 -0.502 1.00 0.00 C ATOM 767 CD1 ILE A 49 -2.060 0.363 -0.121 1.00 0.00 C ATOM 0 H ILE A 49 -6.142 0.166 -0.847 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.584 1.998 1.124 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.305 1.448 -1.518 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.357 1.170 1.385 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.068 -0.129 0.448 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.370 2.904 -0.880 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.856 3.847 -1.145 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.302 3.506 0.512 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.628 -0.367 0.563 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.142 -0.076 -1.115 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.419 1.244 -0.164 1.00 0.00 H new ATOM 779 N PRO A 50 -6.683 3.596 -1.641 1.00 0.00 N ATOM 780 CA PRO A 50 -7.237 4.881 -2.066 1.00 0.00 C ATOM 781 C PRO A 50 -8.634 5.148 -1.477 1.00 0.00 C ATOM 782 O PRO A 50 -9.020 6.305 -1.336 1.00 0.00 O ATOM 783 CB PRO A 50 -7.286 4.820 -3.597 1.00 0.00 C ATOM 784 CG PRO A 50 -7.455 3.330 -3.883 1.00 0.00 C ATOM 785 CD PRO A 50 -6.665 2.670 -2.766 1.00 0.00 C ATOM 0 HA PRO A 50 -6.618 5.703 -1.707 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.116 5.403 -3.997 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.374 5.215 -4.045 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.504 3.033 -3.864 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.065 3.062 -4.865 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.110 1.714 -2.489 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.642 2.465 -3.083 1.00 0.00 H new ATOM 793 N ASP A 51 -9.396 4.123 -1.080 1.00 0.00 N ATOM 794 CA ASP A 51 -10.698 4.299 -0.411 1.00 0.00 C ATOM 795 C ASP A 51 -10.551 4.914 0.991 1.00 0.00 C ATOM 796 O ASP A 51 -11.410 5.688 1.420 1.00 0.00 O ATOM 797 CB ASP A 51 -11.465 2.967 -0.333 1.00 0.00 C ATOM 798 CG ASP A 51 -12.073 2.488 -1.667 1.00 0.00 C ATOM 799 OD1 ASP A 51 -12.082 3.240 -2.671 1.00 0.00 O ATOM 800 OD2 ASP A 51 -12.601 1.351 -1.689 1.00 0.00 O ATOM 0 H ASP A 51 -9.131 3.147 -1.211 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.272 4.998 -1.019 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.789 2.197 0.039 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -12.266 3.068 0.399 1.00 0.00 H new ATOM 805 N ALA A 52 -9.426 4.671 1.675 1.00 0.00 N ATOM 806 CA ALA A 52 -9.020 5.400 2.884 1.00 0.00 C ATOM 807 C ALA A 52 -8.774 6.909 2.665 1.00 0.00 C ATOM 808 O ALA A 52 -8.614 7.651 3.635 1.00 0.00 O ATOM 809 CB ALA A 52 -7.796 4.708 3.490 1.00 0.00 C ATOM 0 H ALA A 52 -8.760 3.949 1.399 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.857 5.365 3.582 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.485 5.240 4.389 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -8.050 3.679 3.747 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.981 4.711 2.766 1.00 0.00 H new ATOM 815 N LEU A 53 -8.788 7.372 1.410 1.00 0.00 N ATOM 816 CA LEU A 53 -8.572 8.764 0.996 1.00 0.00 C ATOM 817 C LEU A 53 -9.845 9.339 0.336 1.00 0.00 C ATOM 818 O LEU A 53 -10.190 10.501 0.552 1.00 0.00 O ATOM 819 CB LEU A 53 -7.361 8.835 0.033 1.00 0.00 C ATOM 820 CG LEU A 53 -6.159 7.914 0.352 1.00 0.00 C ATOM 821 CD1 LEU A 53 -5.088 7.983 -0.736 1.00 0.00 C ATOM 822 CD2 LEU A 53 -5.490 8.237 1.687 1.00 0.00 C ATOM 0 H LEU A 53 -8.959 6.756 0.615 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.355 9.371 1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.712 8.599 -0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.004 9.865 0.012 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.585 6.912 0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.261 7.323 -0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.516 7.670 -1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.722 9.006 -0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.655 7.555 1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.123 9.263 1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.214 8.123 2.494 1.00 0.00 H new ATOM 834 N SER A 54 -10.573 8.508 -0.423 1.00 0.00 N ATOM 835 CA SER A 54 -11.827 8.843 -1.118 1.00 0.00 C ATOM 836 C SER A 54 -13.043 8.953 -0.180 1.00 0.00 C ATOM 837 O SER A 54 -13.877 9.848 -0.333 1.00 0.00 O ATOM 838 CB SER A 54 -12.119 7.755 -2.162 1.00 0.00 C ATOM 839 OG SER A 54 -13.020 8.238 -3.145 1.00 0.00 O ATOM 0 H SER A 54 -10.292 7.540 -0.577 1.00 0.00 H new ATOM 0 HA SER A 54 -11.682 9.823 -1.573 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.190 7.439 -2.636 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.542 6.877 -1.673 1.00 0.00 H new ATOM 0 HG SER A 54 -13.194 7.533 -3.803 1.00 0.00 H new ATOM 845 N ASN A 55 -13.132 8.056 0.810 1.00 0.00 N ATOM 846 CA ASN A 55 -14.256 7.921 1.751 1.00 0.00 C ATOM 847 C ASN A 55 -13.786 7.509 3.162 1.00 0.00 C ATOM 848 O ASN A 55 -14.557 6.920 3.917 1.00 0.00 O ATOM 849 CB ASN A 55 -15.326 6.953 1.175 1.00 0.00 C ATOM 850 CG ASN A 55 -14.766 5.739 0.459 1.00 0.00 C ATOM 851 OD1 ASN A 55 -14.667 5.688 -0.758 1.00 0.00 O ATOM 852 ND2 ASN A 55 -14.374 4.717 1.179 1.00 0.00 N ATOM 0 H ASN A 55 -12.393 7.375 0.986 1.00 0.00 H new ATOM 0 HA ASN A 55 -14.721 8.900 1.868 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -15.965 6.614 1.990 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -15.960 7.506 0.482 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -13.991 3.889 0.723 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -14.452 4.749 2.195 1.00 0.00 H new ATOM 859 N GLU A 56 -12.521 7.766 3.521 1.00 0.00 N ATOM 860 CA GLU A 56 -11.923 7.405 4.823 1.00 0.00 C ATOM 861 C GLU A 56 -12.153 5.928 5.213 1.00 0.00 C ATOM 862 O GLU A 56 -12.273 5.583 6.390 1.00 0.00 O ATOM 863 CB GLU A 56 -12.361 8.408 5.910 1.00 0.00 C ATOM 864 CG GLU A 56 -11.898 9.835 5.589 1.00 0.00 C ATOM 865 CD GLU A 56 -12.267 10.804 6.730 1.00 0.00 C ATOM 866 OE1 GLU A 56 -13.380 11.383 6.706 1.00 0.00 O ATOM 867 OE2 GLU A 56 -11.444 11.000 7.658 1.00 0.00 O ATOM 0 H GLU A 56 -11.865 8.242 2.902 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.840 7.485 4.725 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.447 8.391 6.004 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.953 8.101 6.873 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.819 9.845 5.433 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.358 10.170 4.659 1.00 0.00 H new ATOM 874 N CYS A 57 -12.225 5.047 4.203 1.00 0.00 N ATOM 875 CA CYS A 57 -12.496 3.614 4.340 1.00 0.00 C ATOM 876 C CYS A 57 -13.857 3.315 5.023 1.00 0.00 C ATOM 877 O CYS A 57 -14.034 2.277 5.649 1.00 0.00 O ATOM 878 CB CYS A 57 -11.299 2.956 5.052 1.00 0.00 C ATOM 879 SG CYS A 57 -10.776 1.325 4.454 1.00 0.00 S ATOM 0 H CYS A 57 -12.090 5.328 3.232 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.600 3.174 3.348 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.448 3.633 4.978 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.543 2.866 6.111 1.00 0.00 H new ATOM 884 N ALA A 58 -14.851 4.206 4.950 1.00 0.00 N ATOM 885 CA ALA A 58 -16.112 4.048 5.681 1.00 0.00 C ATOM 886 C ALA A 58 -16.940 2.808 5.276 1.00 0.00 C ATOM 887 O ALA A 58 -17.720 2.301 6.086 1.00 0.00 O ATOM 888 CB ALA A 58 -16.915 5.344 5.496 1.00 0.00 C ATOM 0 H ALA A 58 -14.805 5.054 4.385 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.875 3.871 6.730 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -17.863 5.264 6.028 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -16.346 6.184 5.894 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -17.107 5.505 4.435 1.00 0.00 H new ATOM 894 N LYS A 59 -16.747 2.290 4.053 1.00 0.00 N ATOM 895 CA LYS A 59 -17.352 1.028 3.578 1.00 0.00 C ATOM 896 C LYS A 59 -16.547 -0.242 3.930 1.00 0.00 C ATOM 897 O LYS A 59 -16.984 -1.353 3.624 1.00 0.00 O ATOM 898 CB LYS A 59 -17.605 1.118 2.059 1.00 0.00 C ATOM 899 CG LYS A 59 -18.582 2.228 1.629 1.00 0.00 C ATOM 900 CD LYS A 59 -19.992 2.056 2.223 1.00 0.00 C ATOM 901 CE LYS A 59 -20.987 3.108 1.713 1.00 0.00 C ATOM 902 NZ LYS A 59 -21.349 2.907 0.284 1.00 0.00 N ATOM 0 H LYS A 59 -16.158 2.740 3.353 1.00 0.00 H new ATOM 0 HA LYS A 59 -18.295 0.917 4.114 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -16.652 1.278 1.555 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -17.991 0.160 1.712 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -18.181 3.195 1.934 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -18.652 2.241 0.541 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -20.365 1.062 1.978 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -19.933 2.116 3.310 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -21.891 3.073 2.321 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -20.556 4.101 1.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -22.035 3.633 -0.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -20.495 2.984 -0.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -21.770 1.964 0.162 1.00 0.00 H new ATOM 916 N CYS A 60 -15.377 -0.097 4.551 1.00 0.00 N ATOM 917 CA CYS A 60 -14.461 -1.173 4.923 1.00 0.00 C ATOM 918 C CYS A 60 -14.896 -1.935 6.188 1.00 0.00 C ATOM 919 O CYS A 60 -15.824 -1.540 6.899 1.00 0.00 O ATOM 920 CB CYS A 60 -13.090 -0.528 5.165 1.00 0.00 C ATOM 921 SG CYS A 60 -12.440 0.380 3.744 1.00 0.00 S ATOM 0 H CYS A 60 -15.025 0.821 4.822 1.00 0.00 H new ATOM 0 HA CYS A 60 -14.443 -1.908 4.118 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -13.165 0.152 6.014 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -12.378 -1.306 5.442 1.00 0.00 H new ATOM 926 N ASN A 61 -14.144 -2.992 6.510 1.00 0.00 N ATOM 927 CA ASN A 61 -14.150 -3.634 7.830 1.00 0.00 C ATOM 928 C ASN A 61 -12.928 -3.225 8.675 1.00 0.00 C ATOM 929 O ASN A 61 -11.982 -2.615 8.177 1.00 0.00 O ATOM 930 CB ASN A 61 -14.257 -5.160 7.663 1.00 0.00 C ATOM 931 CG ASN A 61 -13.030 -5.804 7.042 1.00 0.00 C ATOM 932 OD1 ASN A 61 -11.915 -5.658 7.512 1.00 0.00 O ATOM 933 ND2 ASN A 61 -13.185 -6.542 5.972 1.00 0.00 N ATOM 0 H ASN A 61 -13.503 -3.433 5.851 1.00 0.00 H new ATOM 0 HA ASN A 61 -15.024 -3.287 8.382 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -14.435 -5.610 8.640 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.125 -5.387 7.045 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.377 -6.989 5.539 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.114 -6.670 5.571 1.00 0.00 H new ATOM 940 N GLU A 62 -12.932 -3.599 9.956 1.00 0.00 N ATOM 941 CA GLU A 62 -11.872 -3.249 10.915 1.00 0.00 C ATOM 942 C GLU A 62 -10.471 -3.745 10.516 1.00 0.00 C ATOM 943 O GLU A 62 -9.485 -3.046 10.764 1.00 0.00 O ATOM 944 CB GLU A 62 -12.251 -3.729 12.328 1.00 0.00 C ATOM 945 CG GLU A 62 -12.345 -5.256 12.489 1.00 0.00 C ATOM 946 CD GLU A 62 -12.813 -5.631 13.908 1.00 0.00 C ATOM 947 OE1 GLU A 62 -11.957 -5.805 14.810 1.00 0.00 O ATOM 948 OE2 GLU A 62 -14.041 -5.759 14.132 1.00 0.00 O ATOM 0 H GLU A 62 -13.679 -4.160 10.366 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.802 -2.161 10.907 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.514 -3.348 13.035 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.211 -3.290 12.600 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.040 -5.661 11.754 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.373 -5.707 12.291 1.00 0.00 H new ATOM 955 N LYS A 63 -10.368 -4.912 9.859 1.00 0.00 N ATOM 956 CA LYS A 63 -9.076 -5.485 9.444 1.00 0.00 C ATOM 957 C LYS A 63 -8.451 -4.673 8.313 1.00 0.00 C ATOM 958 O LYS A 63 -7.259 -4.377 8.352 1.00 0.00 O ATOM 959 CB LYS A 63 -9.229 -6.956 9.025 1.00 0.00 C ATOM 960 CG LYS A 63 -9.838 -7.822 10.141 1.00 0.00 C ATOM 961 CD LYS A 63 -9.592 -9.327 9.953 1.00 0.00 C ATOM 962 CE LYS A 63 -8.345 -9.843 10.693 1.00 0.00 C ATOM 963 NZ LYS A 63 -7.067 -9.332 10.129 1.00 0.00 N ATOM 0 H LYS A 63 -11.173 -5.483 9.601 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.409 -5.443 10.305 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.860 -7.015 8.138 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.253 -7.356 8.750 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.422 -7.511 11.099 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.912 -7.640 10.186 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.466 -9.876 10.303 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.487 -9.540 8.889 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.410 -9.556 11.743 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.338 -10.932 10.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.267 -9.783 10.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.022 -9.554 9.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.017 -8.302 10.261 1.00 0.00 H new ATOM 977 N GLN A 64 -9.269 -4.262 7.344 1.00 0.00 N ATOM 978 CA GLN A 64 -8.865 -3.369 6.255 1.00 0.00 C ATOM 979 C GLN A 64 -8.516 -1.965 6.771 1.00 0.00 C ATOM 980 O GLN A 64 -7.433 -1.467 6.467 1.00 0.00 O ATOM 981 CB GLN A 64 -9.970 -3.306 5.186 1.00 0.00 C ATOM 982 CG GLN A 64 -10.288 -4.656 4.520 1.00 0.00 C ATOM 983 CD GLN A 64 -9.097 -5.260 3.784 1.00 0.00 C ATOM 984 OE1 GLN A 64 -8.172 -5.808 4.369 1.00 0.00 O ATOM 985 NE2 GLN A 64 -9.064 -5.206 2.474 1.00 0.00 N ATOM 0 H GLN A 64 -10.248 -4.544 7.292 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.961 -3.776 5.802 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.880 -2.917 5.644 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -9.672 -2.595 4.415 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -10.630 -5.357 5.281 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.111 -4.522 3.818 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.823 -4.755 1.963 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.280 -5.615 1.966 1.00 0.00 H new ATOM 994 N LYS A 65 -9.384 -1.356 7.595 1.00 0.00 N ATOM 995 CA LYS A 65 -9.172 -0.018 8.187 1.00 0.00 C ATOM 996 C LYS A 65 -7.871 0.096 8.981 1.00 0.00 C ATOM 997 O LYS A 65 -7.102 1.027 8.747 1.00 0.00 O ATOM 998 CB LYS A 65 -10.363 0.421 9.065 1.00 0.00 C ATOM 999 CG LYS A 65 -11.600 0.765 8.222 1.00 0.00 C ATOM 1000 CD LYS A 65 -12.539 1.827 8.821 1.00 0.00 C ATOM 1001 CE LYS A 65 -13.574 1.289 9.817 1.00 0.00 C ATOM 1002 NZ LYS A 65 -13.053 1.222 11.210 1.00 0.00 N ATOM 0 H LYS A 65 -10.267 -1.783 7.875 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.093 0.658 7.335 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.611 -0.377 9.765 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.076 1.289 9.659 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.266 1.111 7.244 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.172 -0.149 8.058 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.935 2.584 9.321 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.065 2.326 8.007 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.458 1.926 9.795 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.890 0.294 9.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -13.793 0.852 11.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.225 0.593 11.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -12.776 2.174 11.523 1.00 0.00 H new ATOM 1016 N GLU A 66 -7.599 -0.835 9.895 1.00 0.00 N ATOM 1017 CA GLU A 66 -6.321 -0.852 10.623 1.00 0.00 C ATOM 1018 C GLU A 66 -5.151 -1.238 9.706 1.00 0.00 C ATOM 1019 O GLU A 66 -4.082 -0.631 9.791 1.00 0.00 O ATOM 1020 CB GLU A 66 -6.385 -1.808 11.823 1.00 0.00 C ATOM 1021 CG GLU A 66 -7.337 -1.297 12.916 1.00 0.00 C ATOM 1022 CD GLU A 66 -7.259 -2.127 14.219 1.00 0.00 C ATOM 1023 OE1 GLU A 66 -6.999 -3.355 14.174 1.00 0.00 O ATOM 1024 OE2 GLU A 66 -7.465 -1.543 15.312 1.00 0.00 O ATOM 0 H GLU A 66 -8.240 -1.586 10.151 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.146 0.160 10.988 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.714 -2.791 11.486 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.386 -1.932 12.241 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.101 -0.257 13.139 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.359 -1.318 12.539 1.00 0.00 H new ATOM 1031 N GLY A 67 -5.361 -2.211 8.813 1.00 0.00 N ATOM 1032 CA GLY A 67 -4.358 -2.758 7.900 1.00 0.00 C ATOM 1033 C GLY A 67 -3.766 -1.727 6.943 1.00 0.00 C ATOM 1034 O GLY A 67 -2.564 -1.480 6.978 1.00 0.00 O ATOM 0 H GLY A 67 -6.273 -2.655 8.704 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.552 -3.202 8.485 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.810 -3.562 7.319 1.00 0.00 H new ATOM 1038 N THR A 68 -4.567 -1.065 6.109 1.00 0.00 N ATOM 1039 CA THR A 68 -4.008 -0.078 5.169 1.00 0.00 C ATOM 1040 C THR A 68 -3.423 1.139 5.880 1.00 0.00 C ATOM 1041 O THR A 68 -2.388 1.638 5.446 1.00 0.00 O ATOM 1042 CB THR A 68 -5.012 0.372 4.105 1.00 0.00 C ATOM 1043 OG1 THR A 68 -6.226 0.824 4.663 1.00 0.00 O ATOM 1044 CG2 THR A 68 -5.301 -0.798 3.172 1.00 0.00 C ATOM 0 H THR A 68 -5.579 -1.184 6.059 1.00 0.00 H new ATOM 0 HA THR A 68 -3.198 -0.602 4.661 1.00 0.00 H new ATOM 0 HB THR A 68 -4.567 1.208 3.565 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.681 0.077 5.105 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.016 -0.488 2.410 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.376 -1.118 2.693 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.718 -1.626 3.745 1.00 0.00 H new ATOM 1052 N LYS A 69 -4.014 1.576 7.003 1.00 0.00 N ATOM 1053 CA LYS A 69 -3.510 2.695 7.822 1.00 0.00 C ATOM 1054 C LYS A 69 -2.114 2.426 8.394 1.00 0.00 C ATOM 1055 O LYS A 69 -1.244 3.291 8.304 1.00 0.00 O ATOM 1056 CB LYS A 69 -4.549 3.025 8.910 1.00 0.00 C ATOM 1057 CG LYS A 69 -4.206 4.261 9.765 1.00 0.00 C ATOM 1058 CD LYS A 69 -3.519 3.948 11.108 1.00 0.00 C ATOM 1059 CE LYS A 69 -4.418 3.216 12.120 1.00 0.00 C ATOM 1060 NZ LYS A 69 -5.513 4.082 12.639 1.00 0.00 N ATOM 0 H LYS A 69 -4.867 1.158 7.375 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.382 3.570 7.184 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.517 3.185 8.434 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.655 2.162 9.567 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.557 4.917 9.185 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.124 4.814 9.963 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.635 3.340 10.918 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.174 4.881 11.553 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.850 2.334 11.647 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.810 2.865 12.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.090 3.544 13.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.104 4.911 13.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.111 4.397 11.848 1.00 0.00 H new ATOM 1074 N LYS A 70 -1.861 1.227 8.938 1.00 0.00 N ATOM 1075 CA LYS A 70 -0.511 0.824 9.385 1.00 0.00 C ATOM 1076 C LYS A 70 0.434 0.635 8.198 1.00 0.00 C ATOM 1077 O LYS A 70 1.575 1.088 8.239 1.00 0.00 O ATOM 1078 CB LYS A 70 -0.549 -0.399 10.336 1.00 0.00 C ATOM 1079 CG LYS A 70 -0.902 -1.749 9.685 1.00 0.00 C ATOM 1080 CD LYS A 70 -0.974 -2.988 10.591 1.00 0.00 C ATOM 1081 CE LYS A 70 -2.055 -2.908 11.682 1.00 0.00 C ATOM 1082 NZ LYS A 70 -1.538 -2.366 12.970 1.00 0.00 N ATOM 0 H LYS A 70 -2.575 0.513 9.081 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.103 1.642 9.979 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.426 -0.493 10.814 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.273 -0.198 11.125 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.867 -1.640 9.191 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.166 -1.947 8.906 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.161 -3.866 9.973 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.004 -3.134 11.066 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.873 -2.279 11.331 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.468 -3.902 11.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.337 -2.081 13.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.982 -3.098 13.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.934 -1.541 12.782 1.00 0.00 H new ATOM 1096 N VAL A 71 -0.014 -0.011 7.126 1.00 0.00 N ATOM 1097 CA VAL A 71 0.827 -0.336 5.957 1.00 0.00 C ATOM 1098 C VAL A 71 1.332 0.908 5.237 1.00 0.00 C ATOM 1099 O VAL A 71 2.531 0.997 4.984 1.00 0.00 O ATOM 1100 CB VAL A 71 0.064 -1.286 5.021 1.00 0.00 C ATOM 1101 CG1 VAL A 71 0.726 -1.481 3.652 1.00 0.00 C ATOM 1102 CG2 VAL A 71 -0.049 -2.644 5.722 1.00 0.00 C ATOM 0 H VAL A 71 -0.978 -0.331 7.034 1.00 0.00 H new ATOM 0 HA VAL A 71 1.723 -0.846 6.311 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.909 -0.836 4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.126 -2.165 3.052 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.799 -0.520 3.143 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.724 -1.897 3.787 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.587 -3.341 5.080 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.949 -3.033 5.924 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.589 -2.525 6.661 1.00 0.00 H new ATOM 1112 N LEU A 72 0.471 1.906 5.016 1.00 0.00 N ATOM 1113 CA LEU A 72 0.837 3.217 4.464 1.00 0.00 C ATOM 1114 C LEU A 72 2.038 3.833 5.187 1.00 0.00 C ATOM 1115 O LEU A 72 2.958 4.306 4.523 1.00 0.00 O ATOM 1116 CB LEU A 72 -0.432 4.097 4.425 1.00 0.00 C ATOM 1117 CG LEU A 72 -0.350 5.612 4.685 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -1.678 6.204 4.220 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -0.214 5.940 6.177 1.00 0.00 C ATOM 0 H LEU A 72 -0.525 1.824 5.221 1.00 0.00 H new ATOM 0 HA LEU A 72 1.194 3.118 3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.883 3.965 3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.130 3.685 5.154 1.00 0.00 H new ATOM 0 HG LEU A 72 0.520 6.011 4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.673 7.282 4.383 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.816 5.998 3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.494 5.755 4.786 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.160 7.021 6.308 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.079 5.552 6.715 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.693 5.481 6.569 1.00 0.00 H new ATOM 1131 N LYS A 73 2.074 3.752 6.526 1.00 0.00 N ATOM 1132 CA LYS A 73 3.101 4.375 7.376 1.00 0.00 C ATOM 1133 C LYS A 73 4.469 3.702 7.214 1.00 0.00 C ATOM 1134 O LYS A 73 5.492 4.373 7.060 1.00 0.00 O ATOM 1135 CB LYS A 73 2.614 4.278 8.837 1.00 0.00 C ATOM 1136 CG LYS A 73 3.591 4.832 9.885 1.00 0.00 C ATOM 1137 CD LYS A 73 3.872 6.329 9.738 1.00 0.00 C ATOM 1138 CE LYS A 73 2.584 7.140 9.931 1.00 0.00 C ATOM 1139 NZ LYS A 73 2.874 8.572 10.190 1.00 0.00 N ATOM 0 H LYS A 73 1.373 3.239 7.061 1.00 0.00 H new ATOM 0 HA LYS A 73 3.237 5.415 7.080 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.668 4.813 8.925 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.411 3.232 9.068 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.187 4.644 10.880 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.532 4.287 9.815 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.617 6.639 10.471 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.292 6.531 8.752 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.960 7.050 9.042 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.015 6.727 10.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.981 9.090 10.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.449 8.659 11.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.396 8.972 9.384 1.00 0.00 H new ATOM 1153 N HIS A 74 4.481 2.368 7.215 1.00 0.00 N ATOM 1154 CA HIS A 74 5.673 1.553 6.945 1.00 0.00 C ATOM 1155 C HIS A 74 6.161 1.757 5.513 1.00 0.00 C ATOM 1156 O HIS A 74 7.354 1.957 5.317 1.00 0.00 O ATOM 1157 CB HIS A 74 5.391 0.059 7.179 1.00 0.00 C ATOM 1158 CG HIS A 74 5.031 -0.309 8.596 1.00 0.00 C ATOM 1159 ND1 HIS A 74 3.758 -0.278 9.118 1.00 0.00 N ATOM 1160 CD2 HIS A 74 5.841 -0.889 9.533 1.00 0.00 C ATOM 1161 CE1 HIS A 74 3.766 -0.868 10.323 1.00 0.00 C ATOM 1162 NE2 HIS A 74 5.036 -1.215 10.618 1.00 0.00 N ATOM 0 H HIS A 74 3.648 1.811 7.407 1.00 0.00 H new ATOM 0 HA HIS A 74 6.449 1.878 7.638 1.00 0.00 H new ATOM 0 HB2 HIS A 74 4.577 -0.249 6.522 1.00 0.00 H new ATOM 0 HB3 HIS A 74 6.272 -0.512 6.884 1.00 0.00 H new ATOM 0 HD1 HIS A 74 2.941 0.128 8.662 1.00 0.00 H new ATOM 0 HD2 HIS A 74 6.904 -1.061 9.446 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.903 -1.036 10.950 1.00 0.00 H new ATOM 1171 N LEU A 75 5.268 1.757 4.522 1.00 0.00 N ATOM 1172 CA LEU A 75 5.633 1.928 3.113 1.00 0.00 C ATOM 1173 C LEU A 75 6.329 3.281 2.878 1.00 0.00 C ATOM 1174 O LEU A 75 7.389 3.312 2.262 1.00 0.00 O ATOM 1175 CB LEU A 75 4.375 1.811 2.230 1.00 0.00 C ATOM 1176 CG LEU A 75 4.185 0.442 1.556 1.00 0.00 C ATOM 1177 CD1 LEU A 75 4.351 -0.747 2.511 1.00 0.00 C ATOM 1178 CD2 LEU A 75 2.800 0.412 0.907 1.00 0.00 C ATOM 0 H LEU A 75 4.266 1.638 4.674 1.00 0.00 H new ATOM 0 HA LEU A 75 6.336 1.141 2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.498 2.024 2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.418 2.578 1.457 1.00 0.00 H new ATOM 0 HG LEU A 75 4.973 0.330 0.811 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.202 -1.677 1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.354 -0.733 2.938 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.615 -0.676 3.312 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.646 -0.552 0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.037 0.561 1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.729 1.206 0.164 1.00 0.00 H new ATOM 1190 N ILE A 76 5.801 4.388 3.419 1.00 0.00 N ATOM 1191 CA ILE A 76 6.456 5.707 3.318 1.00 0.00 C ATOM 1192 C ILE A 76 7.814 5.751 4.051 1.00 0.00 C ATOM 1193 O ILE A 76 8.749 6.386 3.565 1.00 0.00 O ATOM 1194 CB ILE A 76 5.472 6.839 3.719 1.00 0.00 C ATOM 1195 CG1 ILE A 76 5.983 8.254 3.394 1.00 0.00 C ATOM 1196 CG2 ILE A 76 4.969 6.821 5.168 1.00 0.00 C ATOM 1197 CD1 ILE A 76 6.774 8.970 4.498 1.00 0.00 C ATOM 0 H ILE A 76 4.920 4.400 3.933 1.00 0.00 H new ATOM 0 HA ILE A 76 6.714 5.884 2.274 1.00 0.00 H new ATOM 0 HB ILE A 76 4.619 6.600 3.084 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.614 8.193 2.508 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.126 8.874 3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.290 7.658 5.328 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.443 5.886 5.359 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.816 6.906 5.848 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.078 9.956 4.147 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.147 9.077 5.383 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.659 8.386 4.749 1.00 0.00 H new ATOM 1209 N ASN A 77 7.968 5.024 5.168 1.00 0.00 N ATOM 1210 CA ASN A 77 9.232 4.934 5.923 1.00 0.00 C ATOM 1211 C ASN A 77 10.292 3.993 5.311 1.00 0.00 C ATOM 1212 O ASN A 77 11.489 4.241 5.465 1.00 0.00 O ATOM 1213 CB ASN A 77 8.926 4.532 7.381 1.00 0.00 C ATOM 1214 CG ASN A 77 8.620 5.749 8.237 1.00 0.00 C ATOM 1215 OD1 ASN A 77 9.434 6.202 9.026 1.00 0.00 O ATOM 1216 ND2 ASN A 77 7.462 6.348 8.082 1.00 0.00 N ATOM 0 H ASN A 77 7.212 4.476 5.579 1.00 0.00 H new ATOM 0 HA ASN A 77 9.684 5.925 5.878 1.00 0.00 H new ATOM 0 HB2 ASN A 77 8.078 3.848 7.401 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.778 3.996 7.799 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.246 7.188 8.619 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.778 5.974 7.424 1.00 0.00 H new ATOM 1223 N HIS A 78 9.873 2.929 4.619 1.00 0.00 N ATOM 1224 CA HIS A 78 10.757 1.843 4.139 1.00 0.00 C ATOM 1225 C HIS A 78 10.904 1.746 2.615 1.00 0.00 C ATOM 1226 O HIS A 78 11.897 1.205 2.125 1.00 0.00 O ATOM 1227 CB HIS A 78 10.264 0.499 4.689 1.00 0.00 C ATOM 1228 CG HIS A 78 10.463 0.336 6.178 1.00 0.00 C ATOM 1229 ND1 HIS A 78 11.677 0.131 6.810 1.00 0.00 N ATOM 1230 CD2 HIS A 78 9.490 0.365 7.144 1.00 0.00 C ATOM 1231 CE1 HIS A 78 11.450 0.041 8.136 1.00 0.00 C ATOM 1232 NE2 HIS A 78 10.127 0.185 8.362 1.00 0.00 N ATOM 0 H HIS A 78 8.894 2.789 4.368 1.00 0.00 H new ATOM 0 HA HIS A 78 11.750 2.092 4.514 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.204 0.391 4.460 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.785 -0.307 4.172 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.430 0.502 6.986 1.00 0.00 H new ATOM 0 HE1 HIS A 78 12.203 -0.120 8.893 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.673 0.165 9.275 1.00 0.00 H new ATOM 1241 N LYS A 79 9.952 2.299 1.865 1.00 0.00 N ATOM 1242 CA LYS A 79 9.939 2.406 0.398 1.00 0.00 C ATOM 1243 C LYS A 79 9.591 3.839 -0.039 1.00 0.00 C ATOM 1244 O LYS A 79 8.661 4.027 -0.816 1.00 0.00 O ATOM 1245 CB LYS A 79 8.989 1.328 -0.184 1.00 0.00 C ATOM 1246 CG LYS A 79 9.607 -0.069 -0.341 1.00 0.00 C ATOM 1247 CD LYS A 79 10.511 -0.207 -1.579 1.00 0.00 C ATOM 1248 CE LYS A 79 11.881 0.471 -1.418 1.00 0.00 C ATOM 1249 NZ LYS A 79 12.901 -0.092 -2.345 1.00 0.00 N ATOM 0 H LYS A 79 9.118 2.710 2.285 1.00 0.00 H new ATOM 0 HA LYS A 79 10.932 2.210 -0.006 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.114 1.251 0.461 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.637 1.664 -1.159 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.188 -0.302 0.551 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.807 -0.807 -0.402 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.661 -1.265 -1.793 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.001 0.223 -2.441 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.778 1.541 -1.600 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.223 0.354 -0.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.808 0.396 -2.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.020 -1.108 -2.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.589 0.042 -3.328 1.00 0.00 H new ATOM 1263 N PRO A 80 10.334 4.864 0.421 1.00 0.00 N ATOM 1264 CA PRO A 80 10.017 6.276 0.165 1.00 0.00 C ATOM 1265 C PRO A 80 10.016 6.627 -1.334 1.00 0.00 C ATOM 1266 O PRO A 80 9.128 7.332 -1.815 1.00 0.00 O ATOM 1267 CB PRO A 80 11.076 7.070 0.940 1.00 0.00 C ATOM 1268 CG PRO A 80 12.258 6.104 1.029 1.00 0.00 C ATOM 1269 CD PRO A 80 11.594 4.737 1.142 1.00 0.00 C ATOM 0 HA PRO A 80 9.006 6.516 0.494 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.348 7.989 0.420 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.718 7.357 1.929 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.896 6.168 0.148 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.886 6.317 1.894 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.220 3.958 0.707 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.426 4.466 2.184 1.00 0.00 H new ATOM 1277 N ASP A 81 10.980 6.092 -2.091 1.00 0.00 N ATOM 1278 CA ASP A 81 11.095 6.292 -3.544 1.00 0.00 C ATOM 1279 C ASP A 81 9.922 5.691 -4.348 1.00 0.00 C ATOM 1280 O ASP A 81 9.458 6.295 -5.317 1.00 0.00 O ATOM 1281 CB ASP A 81 12.429 5.697 -4.013 1.00 0.00 C ATOM 1282 CG ASP A 81 12.678 5.953 -5.510 1.00 0.00 C ATOM 1283 OD1 ASP A 81 13.053 7.093 -5.875 1.00 0.00 O ATOM 1284 OD2 ASP A 81 12.518 5.009 -6.321 1.00 0.00 O ATOM 0 H ASP A 81 11.715 5.498 -1.707 1.00 0.00 H new ATOM 0 HA ASP A 81 11.058 7.365 -3.733 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.243 6.128 -3.431 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.435 4.624 -3.823 1.00 0.00 H new ATOM 1289 N VAL A 82 9.414 4.518 -3.943 1.00 0.00 N ATOM 1290 CA VAL A 82 8.235 3.885 -4.570 1.00 0.00 C ATOM 1291 C VAL A 82 6.926 4.481 -4.049 1.00 0.00 C ATOM 1292 O VAL A 82 6.001 4.707 -4.828 1.00 0.00 O ATOM 1293 CB VAL A 82 8.245 2.357 -4.395 1.00 0.00 C ATOM 1294 CG1 VAL A 82 7.009 1.730 -5.045 1.00 0.00 C ATOM 1295 CG2 VAL A 82 9.491 1.737 -5.040 1.00 0.00 C ATOM 0 H VAL A 82 9.806 3.978 -3.172 1.00 0.00 H new ATOM 0 HA VAL A 82 8.297 4.098 -5.637 1.00 0.00 H new ATOM 0 HB VAL A 82 8.247 2.156 -3.324 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.036 0.649 -4.910 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.109 2.132 -4.579 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.001 1.962 -6.110 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.473 0.656 -4.902 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.501 1.966 -6.106 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.386 2.148 -4.572 1.00 0.00 H new ATOM 1305 N TRP A 83 6.853 4.817 -2.758 1.00 0.00 N ATOM 1306 CA TRP A 83 5.745 5.571 -2.170 1.00 0.00 C ATOM 1307 C TRP A 83 5.443 6.855 -2.951 1.00 0.00 C ATOM 1308 O TRP A 83 4.277 7.111 -3.244 1.00 0.00 O ATOM 1309 CB TRP A 83 6.051 5.885 -0.702 1.00 0.00 C ATOM 1310 CG TRP A 83 5.234 7.007 -0.144 1.00 0.00 C ATOM 1311 CD1 TRP A 83 5.681 8.262 0.083 1.00 0.00 C ATOM 1312 CD2 TRP A 83 3.800 7.042 0.122 1.00 0.00 C ATOM 1313 NE1 TRP A 83 4.632 9.066 0.485 1.00 0.00 N ATOM 1314 CE2 TRP A 83 3.446 8.369 0.513 1.00 0.00 C ATOM 1315 CE3 TRP A 83 2.765 6.088 0.039 1.00 0.00 C ATOM 1316 CZ2 TRP A 83 2.128 8.736 0.807 1.00 0.00 C ATOM 1317 CZ3 TRP A 83 1.434 6.449 0.312 1.00 0.00 C ATOM 1318 CH2 TRP A 83 1.117 7.768 0.680 1.00 0.00 C ATOM 0 H TRP A 83 7.575 4.568 -2.082 1.00 0.00 H new ATOM 0 HA TRP A 83 4.851 4.950 -2.225 1.00 0.00 H new ATOM 0 HB2 TRP A 83 5.879 4.990 -0.105 1.00 0.00 H new ATOM 0 HB3 TRP A 83 7.108 6.134 -0.606 1.00 0.00 H new ATOM 0 HD1 TRP A 83 6.704 8.587 -0.032 1.00 0.00 H new ATOM 0 HE1 TRP A 83 4.725 10.052 0.730 1.00 0.00 H new ATOM 0 HE3 TRP A 83 2.997 5.070 -0.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 1.893 9.741 1.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 0.651 5.709 0.239 1.00 0.00 H new ATOM 0 HH2 TRP A 83 0.089 8.040 0.867 1.00 0.00 H new ATOM 1329 N ALA A 84 6.463 7.609 -3.377 1.00 0.00 N ATOM 1330 CA ALA A 84 6.289 8.795 -4.220 1.00 0.00 C ATOM 1331 C ALA A 84 5.471 8.521 -5.504 1.00 0.00 C ATOM 1332 O ALA A 84 4.750 9.400 -5.972 1.00 0.00 O ATOM 1333 CB ALA A 84 7.670 9.376 -4.538 1.00 0.00 C ATOM 0 H ALA A 84 7.436 7.412 -3.145 1.00 0.00 H new ATOM 0 HA ALA A 84 5.699 9.524 -3.665 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.557 10.260 -5.165 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.171 9.651 -3.610 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.266 8.631 -5.065 1.00 0.00 H new ATOM 1339 N GLN A 85 5.533 7.301 -6.050 1.00 0.00 N ATOM 1340 CA GLN A 85 4.758 6.865 -7.221 1.00 0.00 C ATOM 1341 C GLN A 85 3.299 6.534 -6.863 1.00 0.00 C ATOM 1342 O GLN A 85 2.388 6.859 -7.628 1.00 0.00 O ATOM 1343 CB GLN A 85 5.437 5.653 -7.889 1.00 0.00 C ATOM 1344 CG GLN A 85 6.957 5.860 -8.016 1.00 0.00 C ATOM 1345 CD GLN A 85 7.632 4.943 -9.034 1.00 0.00 C ATOM 1346 OE1 GLN A 85 7.121 4.660 -10.109 1.00 0.00 O ATOM 1347 NE2 GLN A 85 8.817 4.450 -8.740 1.00 0.00 N ATOM 0 H GLN A 85 6.140 6.569 -5.681 1.00 0.00 H new ATOM 0 HA GLN A 85 4.735 7.697 -7.924 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.238 4.755 -7.304 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.006 5.492 -8.877 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.149 6.896 -8.294 1.00 0.00 H new ATOM 0 HG3 GLN A 85 7.417 5.701 -7.040 1.00 0.00 H new ATOM 0 HE21 GLN A 85 9.257 4.676 -7.848 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.295 3.842 -9.404 1.00 0.00 H new ATOM 1356 N LEU A 86 3.073 5.949 -5.677 1.00 0.00 N ATOM 1357 CA LEU A 86 1.733 5.736 -5.095 1.00 0.00 C ATOM 1358 C LEU A 86 1.023 7.084 -4.934 1.00 0.00 C ATOM 1359 O LEU A 86 0.026 7.346 -5.612 1.00 0.00 O ATOM 1360 CB LEU A 86 1.855 5.008 -3.729 1.00 0.00 C ATOM 1361 CG LEU A 86 0.592 4.423 -3.063 1.00 0.00 C ATOM 1362 CD1 LEU A 86 -0.427 5.482 -2.646 1.00 0.00 C ATOM 1363 CD2 LEU A 86 -0.099 3.375 -3.929 1.00 0.00 C ATOM 0 H LEU A 86 3.827 5.604 -5.083 1.00 0.00 H new ATOM 0 HA LEU A 86 1.142 5.109 -5.762 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.565 4.191 -3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.301 5.710 -3.024 1.00 0.00 H new ATOM 0 HG LEU A 86 0.967 3.944 -2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.288 4.997 -2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.030 6.165 -1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.752 6.040 -3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.981 2.998 -3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.399 3.825 -4.875 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.588 2.551 -4.121 1.00 0.00 H new ATOM 1375 N LYS A 87 1.577 7.978 -4.098 1.00 0.00 N ATOM 1376 CA LYS A 87 0.956 9.271 -3.772 1.00 0.00 C ATOM 1377 C LYS A 87 0.781 10.186 -4.980 1.00 0.00 C ATOM 1378 O LYS A 87 -0.109 11.016 -4.975 1.00 0.00 O ATOM 1379 CB LYS A 87 1.680 10.019 -2.647 1.00 0.00 C ATOM 1380 CG LYS A 87 3.182 10.212 -2.866 1.00 0.00 C ATOM 1381 CD LYS A 87 3.796 11.354 -2.056 1.00 0.00 C ATOM 1382 CE LYS A 87 3.663 12.724 -2.741 1.00 0.00 C ATOM 1383 NZ LYS A 87 2.382 13.405 -2.423 1.00 0.00 N ATOM 0 H LYS A 87 2.469 7.823 -3.629 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.039 9.005 -3.415 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.217 10.998 -2.524 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.530 9.476 -1.714 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.696 9.285 -2.612 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.362 10.396 -3.925 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.316 11.396 -1.078 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.851 11.142 -1.884 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.493 13.360 -2.435 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.742 12.595 -3.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.490 14.430 -2.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.633 13.046 -3.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.125 13.216 -1.433 1.00 0.00 H new ATOM 1397 N ALA A 88 1.609 10.065 -6.007 1.00 0.00 N ATOM 1398 CA ALA A 88 1.499 10.886 -7.218 1.00 0.00 C ATOM 1399 C ALA A 88 0.196 10.619 -7.990 1.00 0.00 C ATOM 1400 O ALA A 88 -0.498 11.560 -8.383 1.00 0.00 O ATOM 1401 CB ALA A 88 2.708 10.636 -8.114 1.00 0.00 C ATOM 0 H ALA A 88 2.379 9.396 -6.031 1.00 0.00 H new ATOM 0 HA ALA A 88 1.475 11.931 -6.910 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.626 11.246 -9.014 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.619 10.901 -7.578 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.743 9.583 -8.392 1.00 0.00 H new ATOM 1407 N LYS A 89 -0.157 9.340 -8.178 1.00 0.00 N ATOM 1408 CA LYS A 89 -1.425 8.931 -8.803 1.00 0.00 C ATOM 1409 C LYS A 89 -2.605 9.066 -7.833 1.00 0.00 C ATOM 1410 O LYS A 89 -3.693 9.477 -8.236 1.00 0.00 O ATOM 1411 CB LYS A 89 -1.274 7.486 -9.313 1.00 0.00 C ATOM 1412 CG LYS A 89 -2.494 6.953 -10.086 1.00 0.00 C ATOM 1413 CD LYS A 89 -2.762 7.717 -11.394 1.00 0.00 C ATOM 1414 CE LYS A 89 -3.859 7.064 -12.246 1.00 0.00 C ATOM 1415 NZ LYS A 89 -5.207 7.176 -11.627 1.00 0.00 N ATOM 0 H LYS A 89 0.432 8.555 -7.900 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.645 9.592 -9.641 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -0.398 7.431 -9.959 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -1.084 6.831 -8.462 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -2.340 5.898 -10.314 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -3.376 7.016 -9.449 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -3.051 8.741 -11.159 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.841 7.771 -11.974 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -3.876 7.531 -13.231 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -3.619 6.012 -12.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.910 6.720 -12.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.203 6.707 -10.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.452 8.180 -11.507 1.00 0.00 H new ATOM 1429 N TYR A 90 -2.389 8.713 -6.564 1.00 0.00 N ATOM 1430 CA TYR A 90 -3.437 8.642 -5.537 1.00 0.00 C ATOM 1431 C TYR A 90 -3.752 10.006 -4.895 1.00 0.00 C ATOM 1432 O TYR A 90 -4.829 10.188 -4.325 1.00 0.00 O ATOM 1433 CB TYR A 90 -3.029 7.610 -4.468 1.00 0.00 C ATOM 1434 CG TYR A 90 -3.254 6.144 -4.831 1.00 0.00 C ATOM 1435 CD1 TYR A 90 -3.184 5.668 -6.160 1.00 0.00 C ATOM 1436 CD2 TYR A 90 -3.476 5.227 -3.789 1.00 0.00 C ATOM 1437 CE1 TYR A 90 -3.337 4.297 -6.442 1.00 0.00 C ATOM 1438 CE2 TYR A 90 -3.594 3.850 -4.064 1.00 0.00 C ATOM 1439 CZ TYR A 90 -3.547 3.379 -5.393 1.00 0.00 C ATOM 1440 OH TYR A 90 -3.704 2.056 -5.671 1.00 0.00 O ATOM 0 H TYR A 90 -1.465 8.463 -6.212 1.00 0.00 H new ATOM 0 HA TYR A 90 -4.358 8.327 -6.027 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.972 7.749 -4.242 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -3.582 7.826 -3.554 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.011 6.363 -6.968 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.557 5.580 -2.771 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.293 3.948 -7.463 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.721 3.150 -3.251 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.244 1.636 -4.969 1.00 0.00 H new ATOM 1450 N ASP A 91 -2.836 10.970 -4.998 1.00 0.00 N ATOM 1451 CA ASP A 91 -2.947 12.316 -4.433 1.00 0.00 C ATOM 1452 C ASP A 91 -2.100 13.348 -5.227 1.00 0.00 C ATOM 1453 O ASP A 91 -1.029 13.774 -4.775 1.00 0.00 O ATOM 1454 CB ASP A 91 -2.572 12.312 -2.941 1.00 0.00 C ATOM 1455 CG ASP A 91 -2.986 13.649 -2.282 1.00 0.00 C ATOM 1456 OD1 ASP A 91 -3.429 14.577 -3.000 1.00 0.00 O ATOM 1457 OD2 ASP A 91 -2.828 13.800 -1.051 1.00 0.00 O ATOM 0 H ASP A 91 -1.959 10.828 -5.499 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.988 12.626 -4.521 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.066 11.481 -2.437 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.498 12.160 -2.829 1.00 0.00 H new ATOM 1462 N PRO A 92 -2.552 13.764 -6.428 1.00 0.00 N ATOM 1463 CA PRO A 92 -1.802 14.662 -7.315 1.00 0.00 C ATOM 1464 C PRO A 92 -1.542 16.081 -6.759 1.00 0.00 C ATOM 1465 O PRO A 92 -0.787 16.839 -7.373 1.00 0.00 O ATOM 1466 CB PRO A 92 -2.602 14.694 -8.624 1.00 0.00 C ATOM 1467 CG PRO A 92 -4.025 14.381 -8.173 1.00 0.00 C ATOM 1468 CD PRO A 92 -3.805 13.370 -7.054 1.00 0.00 C ATOM 0 HA PRO A 92 -0.790 14.279 -7.445 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.539 15.667 -9.110 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.235 13.957 -9.338 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.543 15.272 -7.818 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.625 13.965 -8.983 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.627 13.389 -6.338 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.748 12.354 -7.446 1.00 0.00 H new ATOM 1476 N ASP A 93 -2.125 16.453 -5.613 1.00 0.00 N ATOM 1477 CA ASP A 93 -1.929 17.746 -4.934 1.00 0.00 C ATOM 1478 C ASP A 93 -1.275 17.656 -3.542 1.00 0.00 C ATOM 1479 O ASP A 93 -0.712 18.645 -3.061 1.00 0.00 O ATOM 1480 CB ASP A 93 -3.262 18.496 -4.869 1.00 0.00 C ATOM 1481 CG ASP A 93 -4.406 17.694 -4.247 1.00 0.00 C ATOM 1482 OD1 ASP A 93 -4.440 17.618 -3.004 1.00 0.00 O ATOM 1483 OD2 ASP A 93 -5.290 17.202 -4.992 1.00 0.00 O ATOM 0 H ASP A 93 -2.770 15.842 -5.112 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.209 18.300 -5.537 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.122 19.412 -4.295 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.548 18.792 -5.878 1.00 0.00 H new ATOM 1488 N GLY A 94 -1.301 16.487 -2.901 1.00 0.00 N ATOM 1489 CA GLY A 94 -0.730 16.253 -1.572 1.00 0.00 C ATOM 1490 C GLY A 94 -1.642 16.644 -0.404 1.00 0.00 C ATOM 1491 O GLY A 94 -1.207 16.519 0.741 1.00 0.00 O ATOM 0 H GLY A 94 -1.731 15.654 -3.302 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -0.479 15.196 -1.481 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.203 16.811 -1.489 1.00 0.00 H new ATOM 1495 N THR A 95 -2.869 17.135 -0.639 1.00 0.00 N ATOM 1496 CA THR A 95 -3.727 17.693 0.443 1.00 0.00 C ATOM 1497 C THR A 95 -3.984 16.719 1.602 1.00 0.00 C ATOM 1498 O THR A 95 -4.135 17.164 2.743 1.00 0.00 O ATOM 1499 CB THR A 95 -5.076 18.219 -0.082 1.00 0.00 C ATOM 1500 OG1 THR A 95 -4.854 19.225 -1.041 1.00 0.00 O ATOM 1501 CG2 THR A 95 -5.974 18.868 0.977 1.00 0.00 C ATOM 0 H THR A 95 -3.298 17.161 -1.564 1.00 0.00 H new ATOM 0 HA THR A 95 -3.143 18.527 0.833 1.00 0.00 H new ATOM 0 HB THR A 95 -5.575 17.332 -0.472 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.437 18.833 -1.836 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.900 19.207 0.511 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.204 18.140 1.755 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.458 19.720 1.419 1.00 0.00 H new ATOM 1509 N TYR A 96 -3.978 15.404 1.354 1.00 0.00 N ATOM 1510 CA TYR A 96 -4.163 14.378 2.387 1.00 0.00 C ATOM 1511 C TYR A 96 -2.949 13.455 2.560 1.00 0.00 C ATOM 1512 O TYR A 96 -2.753 12.951 3.667 1.00 0.00 O ATOM 1513 CB TYR A 96 -5.477 13.612 2.183 1.00 0.00 C ATOM 1514 CG TYR A 96 -5.779 13.242 0.751 1.00 0.00 C ATOM 1515 CD1 TYR A 96 -5.241 12.069 0.195 1.00 0.00 C ATOM 1516 CD2 TYR A 96 -6.556 14.111 -0.039 1.00 0.00 C ATOM 1517 CE1 TYR A 96 -5.481 11.765 -1.157 1.00 0.00 C ATOM 1518 CE2 TYR A 96 -6.783 13.813 -1.393 1.00 0.00 C ATOM 1519 CZ TYR A 96 -6.252 12.634 -1.959 1.00 0.00 C ATOM 1520 OH TYR A 96 -6.480 12.344 -3.270 1.00 0.00 O ATOM 0 H TYR A 96 -3.843 15.018 0.420 1.00 0.00 H new ATOM 0 HA TYR A 96 -4.243 14.905 3.338 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.446 12.701 2.780 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.298 14.218 2.568 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -4.646 11.404 0.803 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -6.977 15.006 0.396 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -5.073 10.861 -1.584 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -7.365 14.488 -2.003 1.00 0.00 H new ATOM 0 HH TYR A 96 -5.890 11.614 -3.551 1.00 0.00 H new ATOM 1530 N SER A 97 -2.079 13.294 1.555 1.00 0.00 N ATOM 1531 CA SER A 97 -0.840 12.509 1.704 1.00 0.00 C ATOM 1532 C SER A 97 0.136 13.153 2.697 1.00 0.00 C ATOM 1533 O SER A 97 0.768 12.462 3.503 1.00 0.00 O ATOM 1534 CB SER A 97 -0.151 12.257 0.356 1.00 0.00 C ATOM 1535 OG SER A 97 0.542 13.393 -0.126 1.00 0.00 O ATOM 0 H SER A 97 -2.208 13.697 0.627 1.00 0.00 H new ATOM 0 HA SER A 97 -1.140 11.543 2.111 1.00 0.00 H new ATOM 0 HB2 SER A 97 0.548 11.427 0.460 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.898 11.954 -0.378 1.00 0.00 H new ATOM 0 HG SER A 97 1.394 13.482 0.349 1.00 0.00 H new ATOM 1541 N LYS A 98 0.221 14.494 2.687 1.00 0.00 N ATOM 1542 CA LYS A 98 1.180 15.265 3.496 1.00 0.00 C ATOM 1543 C LYS A 98 1.023 15.074 5.009 1.00 0.00 C ATOM 1544 O LYS A 98 1.989 15.245 5.750 1.00 0.00 O ATOM 1545 CB LYS A 98 1.156 16.754 3.091 1.00 0.00 C ATOM 1546 CG LYS A 98 2.546 17.409 3.118 1.00 0.00 C ATOM 1547 CD LYS A 98 3.475 16.913 1.994 1.00 0.00 C ATOM 1548 CE LYS A 98 3.102 17.416 0.599 1.00 0.00 C ATOM 1549 NZ LYS A 98 4.129 16.991 -0.389 1.00 0.00 N ATOM 0 H LYS A 98 -0.382 15.080 2.110 1.00 0.00 H new ATOM 0 HA LYS A 98 2.166 14.859 3.271 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.738 16.845 2.089 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.492 17.297 3.764 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.432 18.490 3.036 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.015 17.210 4.082 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.495 17.224 2.218 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.468 15.823 1.988 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.126 17.025 0.312 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.020 18.503 0.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.720 17.012 -1.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.942 17.639 -0.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.444 16.025 -0.168 1.00 0.00 H new ATOM 1563 N LYS A 99 -0.168 14.660 5.459 1.00 0.00 N ATOM 1564 CA LYS A 99 -0.520 14.372 6.863 1.00 0.00 C ATOM 1565 C LYS A 99 0.375 13.315 7.536 1.00 0.00 C ATOM 1566 O LYS A 99 0.522 13.346 8.758 1.00 0.00 O ATOM 1567 CB LYS A 99 -2.003 13.982 6.948 1.00 0.00 C ATOM 1568 CG LYS A 99 -2.913 15.111 6.420 1.00 0.00 C ATOM 1569 CD LYS A 99 -4.400 14.884 6.715 1.00 0.00 C ATOM 1570 CE LYS A 99 -4.674 15.032 8.217 1.00 0.00 C ATOM 1571 NZ LYS A 99 -6.126 14.937 8.524 1.00 0.00 N ATOM 0 H LYS A 99 -0.954 14.508 4.826 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.341 15.287 7.427 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.176 13.074 6.371 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.263 13.757 7.982 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.602 16.056 6.865 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.774 15.205 5.343 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.002 15.601 6.156 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.696 13.890 6.381 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.135 14.258 8.763 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.291 15.992 8.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -6.272 15.042 9.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.637 15.692 8.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.486 14.011 8.216 1.00 0.00 H new ATOM 1585 N TYR A 100 0.994 12.417 6.760 1.00 0.00 N ATOM 1586 CA TYR A 100 1.899 11.362 7.248 1.00 0.00 C ATOM 1587 C TYR A 100 3.187 11.229 6.413 1.00 0.00 C ATOM 1588 O TYR A 100 4.206 10.800 6.952 1.00 0.00 O ATOM 1589 CB TYR A 100 1.137 10.028 7.347 1.00 0.00 C ATOM 1590 CG TYR A 100 0.240 9.775 6.159 1.00 0.00 C ATOM 1591 CD1 TYR A 100 -1.066 10.295 6.165 1.00 0.00 C ATOM 1592 CD2 TYR A 100 0.737 9.121 5.020 1.00 0.00 C ATOM 1593 CE1 TYR A 100 -1.858 10.217 5.010 1.00 0.00 C ATOM 1594 CE2 TYR A 100 -0.062 9.030 3.871 1.00 0.00 C ATOM 1595 CZ TYR A 100 -1.364 9.582 3.853 1.00 0.00 C ATOM 1596 OH TYR A 100 -2.169 9.441 2.763 1.00 0.00 O ATOM 0 H TYR A 100 0.878 12.401 5.747 1.00 0.00 H new ATOM 0 HA TYR A 100 2.235 11.653 8.243 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.854 9.212 7.435 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.537 10.025 8.257 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -1.460 10.755 7.059 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.728 8.691 5.029 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -2.850 10.645 5.007 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.321 8.534 2.991 1.00 0.00 H new ATOM 0 HH TYR A 100 -1.677 8.983 2.050 1.00 0.00 H new ATOM 1606 N GLU A 101 3.195 11.676 5.152 1.00 0.00 N ATOM 1607 CA GLU A 101 4.403 11.853 4.321 1.00 0.00 C ATOM 1608 C GLU A 101 5.461 12.766 4.985 1.00 0.00 C ATOM 1609 O GLU A 101 6.664 12.526 4.867 1.00 0.00 O ATOM 1610 CB GLU A 101 3.922 12.422 2.976 1.00 0.00 C ATOM 1611 CG GLU A 101 4.950 12.715 1.875 1.00 0.00 C ATOM 1612 CD GLU A 101 4.310 13.540 0.733 1.00 0.00 C ATOM 1613 OE1 GLU A 101 3.097 13.390 0.445 1.00 0.00 O ATOM 1614 OE2 GLU A 101 5.004 14.381 0.115 1.00 0.00 O ATOM 0 H GLU A 101 2.338 11.934 4.662 1.00 0.00 H new ATOM 0 HA GLU A 101 4.911 10.898 4.188 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.193 11.723 2.566 1.00 0.00 H new ATOM 0 HB3 GLU A 101 3.391 13.351 3.184 1.00 0.00 H new ATOM 0 HG2 GLU A 101 5.794 13.261 2.295 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.342 11.778 1.478 1.00 0.00 H new ATOM 1621 N ASP A 102 5.017 13.777 5.742 1.00 0.00 N ATOM 1622 CA ASP A 102 5.850 14.763 6.449 1.00 0.00 C ATOM 1623 C ASP A 102 6.812 14.146 7.483 1.00 0.00 C ATOM 1624 O ASP A 102 7.852 14.733 7.787 1.00 0.00 O ATOM 1625 CB ASP A 102 4.914 15.784 7.116 1.00 0.00 C ATOM 1626 CG ASP A 102 5.647 16.790 8.017 1.00 0.00 C ATOM 1627 OD1 ASP A 102 6.262 17.751 7.495 1.00 0.00 O ATOM 1628 OD2 ASP A 102 5.597 16.618 9.257 1.00 0.00 O ATOM 0 H ASP A 102 4.020 13.939 5.886 1.00 0.00 H new ATOM 0 HA ASP A 102 6.498 15.241 5.714 1.00 0.00 H new ATOM 0 HB2 ASP A 102 4.373 16.328 6.342 1.00 0.00 H new ATOM 0 HB3 ASP A 102 4.171 15.251 7.709 1.00 0.00 H new ATOM 1633 N ARG A 103 6.484 12.962 8.025 1.00 0.00 N ATOM 1634 CA ARG A 103 7.301 12.263 9.033 1.00 0.00 C ATOM 1635 C ARG A 103 8.699 11.878 8.544 1.00 0.00 C ATOM 1636 O ARG A 103 9.613 11.796 9.361 1.00 0.00 O ATOM 1637 CB ARG A 103 6.567 11.011 9.531 1.00 0.00 C ATOM 1638 CG ARG A 103 5.282 11.271 10.333 1.00 0.00 C ATOM 1639 CD ARG A 103 5.433 12.261 11.501 1.00 0.00 C ATOM 1640 NE ARG A 103 5.077 13.646 11.111 1.00 0.00 N ATOM 1641 CZ ARG A 103 3.999 14.328 11.464 1.00 0.00 C ATOM 1642 NH1 ARG A 103 3.064 13.834 12.224 1.00 0.00 N ATOM 1643 NH2 ARG A 103 3.826 15.546 11.053 1.00 0.00 N ATOM 0 H ARG A 103 5.635 12.457 7.773 1.00 0.00 H new ATOM 0 HA ARG A 103 7.444 12.974 9.847 1.00 0.00 H new ATOM 0 HB2 ARG A 103 6.318 10.391 8.670 1.00 0.00 H new ATOM 0 HB3 ARG A 103 7.251 10.433 10.152 1.00 0.00 H new ATOM 0 HG2 ARG A 103 4.518 11.648 9.653 1.00 0.00 H new ATOM 0 HG3 ARG A 103 4.919 10.321 10.726 1.00 0.00 H new ATOM 0 HD2 ARG A 103 4.798 11.944 12.328 1.00 0.00 H new ATOM 0 HD3 ARG A 103 6.461 12.240 11.862 1.00 0.00 H new ATOM 0 HE ARG A 103 5.738 14.128 10.502 1.00 0.00 H new ATOM 0 HH11 ARG A 103 3.144 12.880 12.576 1.00 0.00 H new ATOM 0 HH12 ARG A 103 2.252 14.401 12.468 1.00 0.00 H new ATOM 0 HH21 ARG A 103 4.524 15.986 10.453 1.00 0.00 H new ATOM 0 HH22 ARG A 103 2.992 16.064 11.330 1.00 0.00 H new ATOM 1657 N GLU A 104 8.872 11.683 7.234 1.00 0.00 N ATOM 1658 CA GLU A 104 10.159 11.325 6.619 1.00 0.00 C ATOM 1659 C GLU A 104 10.557 12.307 5.511 1.00 0.00 C ATOM 1660 O GLU A 104 11.720 12.715 5.465 1.00 0.00 O ATOM 1661 CB GLU A 104 10.106 9.912 6.030 1.00 0.00 C ATOM 1662 CG GLU A 104 9.968 8.817 7.090 1.00 0.00 C ATOM 1663 CD GLU A 104 11.309 8.551 7.809 1.00 0.00 C ATOM 1664 OE1 GLU A 104 12.154 7.805 7.259 1.00 0.00 O ATOM 1665 OE2 GLU A 104 11.544 9.103 8.911 1.00 0.00 O ATOM 0 H GLU A 104 8.113 11.770 6.559 1.00 0.00 H new ATOM 0 HA GLU A 104 10.906 11.369 7.411 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.266 9.846 5.338 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.011 9.734 5.450 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.214 9.110 7.821 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.617 7.898 6.621 1.00 0.00 H new