USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 805 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 108 HIS : no HD1:sc= -3.84! C(o=-3.9!,f=-14!) USER MOD Set 1.2: A 109 GLN : amide:sc= -0.0752 K(o=-3.9,f=-9.1!) USER MOD Set 2.1: A 102 THR OG1 : rot 180:sc= -0.0504 USER MOD Set 2.2: A 103 HIS : no HD1:sc= -0.0543 X(o=-0.1,f=0.0027) USER MOD Set 3.1: A 66 THR OG1 : rot -53:sc= 1.06 USER MOD Set 3.2: A 67 SER OG : rot 129:sc= 1.18 USER MOD Set 4.1: A 51 ASN : amide:sc= 0.504 K(o=1.1,f=-2) USER MOD Set 4.2: A 58 LYS NZ :NH3+ -172:sc= 0.565 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0232 K(o=-0.023,f=-0.85) USER MOD Single : A 18 SER OG : rot 82:sc= 0.969 USER MOD Single : A 22 ASN : amide:sc= -0.0988 X(o=-0.099,f=-0.11) USER MOD Single : A 23 THR OG1 : rot -110:sc= -0.831 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc=0.000709 USER MOD Single : A 34 LYS NZ :NH3+ -157:sc= -1.09 (180deg=-3.73!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -50:sc= -3.92! USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.179 USER MOD Single : A 48 CYS SG : rot -110:sc= -0.222 USER MOD Single : A 68 ASN : amide:sc= -0.061 X(o=-0.061,f=-0.17) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN :FLIP amide:sc= -1.06 F(o=-2.2,f=-1.1) USER MOD Single : A 73 TYR OH : rot 19:sc= 0.691 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl 172:sc= 0 (180deg=-0.104) USER MOD Single : A 99 HIS :FLIP no HE2:sc= -1.68 F(o=-3!,f=-1.7) USER MOD Single : A 100 TYR OH : rot 152:sc= -0.529 USER MOD Single : A 101 HIS : no HD1:sc= -1.1 X(o=-1.1,f=-0.9) USER MOD Single : A 107 SER OG : rot 180:sc= -0.003 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 117 TYR OH : rot 180:sc= -0.996 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 167 N PRO A 14 -2.949 0.723 -15.411 1.00 0.00 N ATOM 168 CA PRO A 14 -1.789 0.778 -14.516 1.00 0.00 C ATOM 169 C PRO A 14 -2.180 0.632 -13.050 1.00 0.00 C ATOM 170 O PRO A 14 -1.634 -0.206 -12.331 1.00 0.00 O ATOM 171 CB PRO A 14 -1.205 2.169 -14.778 1.00 0.00 C ATOM 172 CG PRO A 14 -2.357 2.978 -15.266 1.00 0.00 C ATOM 173 CD PRO A 14 -3.236 2.028 -16.031 1.00 0.00 C ATOM 0 HA PRO A 14 -1.089 -0.036 -14.705 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.777 2.596 -13.871 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.407 2.130 -15.519 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -2.899 3.427 -14.434 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -2.018 3.795 -15.903 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.289 2.293 -15.940 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.998 2.029 -17.095 1.00 0.00 H new ATOM 181 N LEU A 15 -3.130 1.452 -12.611 1.00 0.00 N ATOM 182 CA LEU A 15 -3.595 1.414 -11.229 1.00 0.00 C ATOM 183 C LEU A 15 -5.110 1.248 -11.169 1.00 0.00 C ATOM 184 O LEU A 15 -5.870 2.206 -11.312 1.00 0.00 O ATOM 185 CB LEU A 15 -3.181 2.690 -10.495 1.00 0.00 C ATOM 186 CG LEU A 15 -1.850 2.631 -9.745 1.00 0.00 C ATOM 187 CD1 LEU A 15 -1.911 1.599 -8.630 1.00 0.00 C ATOM 188 CD2 LEU A 15 -0.711 2.316 -10.703 1.00 0.00 C ATOM 0 H LEU A 15 -3.593 2.151 -13.192 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.134 0.556 -10.740 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.131 3.502 -11.220 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.965 2.946 -9.783 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.663 3.608 -9.299 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.955 1.571 -8.107 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.700 1.868 -7.928 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.121 0.617 -9.054 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.228 2.278 -10.151 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.892 1.352 -11.179 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.652 3.092 -11.466 1.00 0.00 H new ATOM 200 N PRO A 16 -5.561 0.004 -10.951 1.00 0.00 N ATOM 201 CA PRO A 16 -6.989 -0.316 -10.864 1.00 0.00 C ATOM 202 C PRO A 16 -7.633 0.244 -9.601 1.00 0.00 C ATOM 203 O PRO A 16 -6.944 0.586 -8.641 1.00 0.00 O ATOM 204 CB PRO A 16 -7.009 -1.847 -10.840 1.00 0.00 C ATOM 205 CG PRO A 16 -5.678 -2.234 -10.293 1.00 0.00 C ATOM 206 CD PRO A 16 -4.712 -1.186 -10.772 1.00 0.00 C ATOM 0 HA PRO A 16 -7.554 0.119 -11.688 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.819 -2.223 -10.214 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.161 -2.257 -11.839 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.701 -2.275 -9.204 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.385 -3.224 -10.643 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.919 -1.008 -10.046 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.230 -1.480 -11.704 1.00 0.00 H new ATOM 214 N ASN A 17 -8.959 0.334 -9.608 1.00 0.00 N ATOM 215 CA ASN A 17 -9.696 0.853 -8.461 1.00 0.00 C ATOM 216 C ASN A 17 -9.947 -0.245 -7.433 1.00 0.00 C ATOM 217 O ASN A 17 -10.841 -0.132 -6.594 1.00 0.00 O ATOM 218 CB ASN A 17 -11.027 1.457 -8.915 1.00 0.00 C ATOM 219 CG ASN A 17 -10.838 2.656 -9.824 1.00 0.00 C ATOM 220 OD1 ASN A 17 -10.298 2.536 -10.924 1.00 0.00 O ATOM 221 ND2 ASN A 17 -11.284 3.820 -9.368 1.00 0.00 N ATOM 0 H ASN A 17 -9.545 0.054 -10.395 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.092 1.631 -7.994 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -11.608 0.697 -9.437 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.605 1.755 -8.040 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.185 4.662 -9.936 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -11.725 3.873 -8.450 1.00 0.00 H new ATOM 228 N SER A 18 -9.152 -1.308 -7.504 1.00 0.00 N ATOM 229 CA SER A 18 -9.290 -2.429 -6.582 1.00 0.00 C ATOM 230 C SER A 18 -8.194 -2.397 -5.521 1.00 0.00 C ATOM 231 O SER A 18 -8.405 -2.812 -4.381 1.00 0.00 O ATOM 232 CB SER A 18 -9.238 -3.754 -7.345 1.00 0.00 C ATOM 233 OG SER A 18 -7.912 -4.068 -7.733 1.00 0.00 O ATOM 0 H SER A 18 -8.406 -1.416 -8.191 1.00 0.00 H new ATOM 0 HA SER A 18 -10.256 -2.342 -6.085 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.636 -4.553 -6.720 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.874 -3.694 -8.228 1.00 0.00 H new ATOM 0 HG SER A 18 -7.438 -4.474 -6.978 1.00 0.00 H new ATOM 239 N VAL A 19 -7.022 -1.901 -5.904 1.00 0.00 N ATOM 240 CA VAL A 19 -5.892 -1.813 -4.987 1.00 0.00 C ATOM 241 C VAL A 19 -6.108 -0.715 -3.952 1.00 0.00 C ATOM 242 O VAL A 19 -5.637 -0.813 -2.819 1.00 0.00 O ATOM 243 CB VAL A 19 -4.577 -1.542 -5.741 1.00 0.00 C ATOM 244 CG1 VAL A 19 -4.261 -2.685 -6.693 1.00 0.00 C ATOM 245 CG2 VAL A 19 -4.655 -0.220 -6.490 1.00 0.00 C ATOM 0 H VAL A 19 -6.830 -1.554 -6.844 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.820 -2.776 -4.481 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.769 -1.474 -5.013 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.328 -2.475 -7.217 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.159 -3.612 -6.128 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.069 -2.789 -7.418 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.717 -0.045 -7.017 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.474 -0.257 -7.209 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.830 0.590 -5.782 1.00 0.00 H new ATOM 255 N PHE A 20 -6.824 0.332 -4.350 1.00 0.00 N ATOM 256 CA PHE A 20 -7.103 1.451 -3.457 1.00 0.00 C ATOM 257 C PHE A 20 -8.207 1.093 -2.465 1.00 0.00 C ATOM 258 O PHE A 20 -9.394 1.223 -2.767 1.00 0.00 O ATOM 259 CB PHE A 20 -7.508 2.686 -4.264 1.00 0.00 C ATOM 260 CG PHE A 20 -6.452 3.143 -5.230 1.00 0.00 C ATOM 261 CD1 PHE A 20 -6.297 2.515 -6.455 1.00 0.00 C ATOM 262 CD2 PHE A 20 -5.614 4.199 -4.913 1.00 0.00 C ATOM 263 CE1 PHE A 20 -5.327 2.933 -7.347 1.00 0.00 C ATOM 264 CE2 PHE A 20 -4.643 4.622 -5.800 1.00 0.00 C ATOM 265 CZ PHE A 20 -4.498 3.987 -7.018 1.00 0.00 C ATOM 0 H PHE A 20 -7.221 0.429 -5.284 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.194 1.673 -2.898 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.423 2.467 -4.815 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -7.737 3.500 -3.577 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.942 1.689 -6.716 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.721 4.698 -3.961 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.218 2.436 -8.300 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.998 5.449 -5.541 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.738 4.314 -7.712 1.00 0.00 H new ATOM 275 N VAL A 21 -7.807 0.642 -1.281 1.00 0.00 N ATOM 276 CA VAL A 21 -8.761 0.266 -0.244 1.00 0.00 C ATOM 277 C VAL A 21 -9.077 1.447 0.666 1.00 0.00 C ATOM 278 O VAL A 21 -8.232 2.312 0.894 1.00 0.00 O ATOM 279 CB VAL A 21 -8.230 -0.900 0.611 1.00 0.00 C ATOM 280 CG1 VAL A 21 -6.952 -0.495 1.331 1.00 0.00 C ATOM 281 CG2 VAL A 21 -9.288 -1.358 1.603 1.00 0.00 C ATOM 0 H VAL A 21 -6.829 0.528 -1.016 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.672 -0.051 -0.752 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.998 -1.736 -0.049 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.591 -1.331 1.930 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.193 -0.220 0.598 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.155 0.356 1.981 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.896 -2.182 2.199 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.554 -0.530 2.260 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.174 -1.691 1.062 1.00 0.00 H new ATOM 291 N ASN A 22 -10.300 1.476 1.185 1.00 0.00 N ATOM 292 CA ASN A 22 -10.729 2.552 2.072 1.00 0.00 C ATOM 293 C ASN A 22 -10.393 2.226 3.524 1.00 0.00 C ATOM 294 O ASN A 22 -11.040 2.719 4.449 1.00 0.00 O ATOM 295 CB ASN A 22 -12.232 2.793 1.926 1.00 0.00 C ATOM 296 CG ASN A 22 -12.645 4.174 2.397 1.00 0.00 C ATOM 297 OD1 ASN A 22 -12.231 5.185 1.830 1.00 0.00 O ATOM 298 ND2 ASN A 22 -13.465 4.222 3.440 1.00 0.00 N ATOM 0 H ASN A 22 -11.012 0.767 1.007 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.194 3.458 1.788 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -12.517 2.668 0.881 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.775 2.040 2.497 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.777 5.123 3.802 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -13.783 3.358 3.879 1.00 0.00 H new ATOM 305 N THR A 23 -9.377 1.391 3.718 1.00 0.00 N ATOM 306 CA THR A 23 -8.955 0.998 5.057 1.00 0.00 C ATOM 307 C THR A 23 -7.710 1.764 5.488 1.00 0.00 C ATOM 308 O THR A 23 -6.842 2.071 4.670 1.00 0.00 O ATOM 309 CB THR A 23 -8.667 -0.513 5.135 1.00 0.00 C ATOM 310 OG1 THR A 23 -8.827 -0.974 6.481 1.00 0.00 O ATOM 311 CG2 THR A 23 -7.258 -0.821 4.652 1.00 0.00 C ATOM 0 H THR A 23 -8.831 0.974 2.964 1.00 0.00 H new ATOM 0 HA THR A 23 -9.778 1.238 5.731 1.00 0.00 H new ATOM 0 HB THR A 23 -9.377 -1.029 4.488 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.951 -1.206 6.854 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.078 -1.894 4.716 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.149 -0.496 3.617 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.536 -0.294 5.276 1.00 0.00 H new ATOM 319 N THR A 24 -7.626 2.071 6.779 1.00 0.00 N ATOM 320 CA THR A 24 -6.487 2.802 7.319 1.00 0.00 C ATOM 321 C THR A 24 -5.769 1.988 8.390 1.00 0.00 C ATOM 322 O THR A 24 -5.113 2.546 9.269 1.00 0.00 O ATOM 323 CB THR A 24 -6.919 4.153 7.920 1.00 0.00 C ATOM 324 OG1 THR A 24 -8.005 3.957 8.833 1.00 0.00 O ATOM 325 CG2 THR A 24 -7.339 5.122 6.825 1.00 0.00 C ATOM 0 H THR A 24 -8.334 1.824 7.470 1.00 0.00 H new ATOM 0 HA THR A 24 -5.806 2.985 6.488 1.00 0.00 H new ATOM 0 HB THR A 24 -6.069 4.578 8.453 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.273 4.820 9.212 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.640 6.069 7.273 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.502 5.291 6.148 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.177 4.701 6.269 1.00 0.00 H new ATOM 333 N GLU A 25 -5.898 0.668 8.309 1.00 0.00 N ATOM 334 CA GLU A 25 -5.261 -0.222 9.273 1.00 0.00 C ATOM 335 C GLU A 25 -4.472 -1.318 8.563 1.00 0.00 C ATOM 336 O GLU A 25 -4.919 -1.867 7.556 1.00 0.00 O ATOM 337 CB GLU A 25 -6.311 -0.849 10.193 1.00 0.00 C ATOM 338 CG GLU A 25 -7.069 0.166 11.032 1.00 0.00 C ATOM 339 CD GLU A 25 -7.613 -0.428 12.317 1.00 0.00 C ATOM 340 OE1 GLU A 25 -8.529 -1.273 12.239 1.00 0.00 O ATOM 341 OE2 GLU A 25 -7.121 -0.048 13.400 1.00 0.00 O ATOM 0 H GLU A 25 -6.437 0.191 7.586 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.569 0.369 9.873 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.022 -1.412 9.588 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.822 -1.563 10.856 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.408 0.999 11.272 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.894 0.572 10.446 1.00 0.00 H new ATOM 348 N SER A 26 -3.295 -1.630 9.095 1.00 0.00 N ATOM 349 CA SER A 26 -2.440 -2.657 8.510 1.00 0.00 C ATOM 350 C SER A 26 -2.976 -4.051 8.820 1.00 0.00 C ATOM 351 O SER A 26 -2.903 -4.956 7.988 1.00 0.00 O ATOM 352 CB SER A 26 -1.010 -2.520 9.036 1.00 0.00 C ATOM 353 OG SER A 26 -0.960 -2.718 10.438 1.00 0.00 O ATOM 0 H SER A 26 -2.911 -1.187 9.930 1.00 0.00 H new ATOM 0 HA SER A 26 -2.437 -2.520 7.429 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.366 -3.246 8.540 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.623 -1.531 8.791 1.00 0.00 H new ATOM 0 HG SER A 26 -0.035 -2.627 10.748 1.00 0.00 H new ATOM 359 N CYS A 27 -3.516 -4.217 10.023 1.00 0.00 N ATOM 360 CA CYS A 27 -4.064 -5.501 10.445 1.00 0.00 C ATOM 361 C CYS A 27 -5.244 -5.903 9.566 1.00 0.00 C ATOM 362 O CYS A 27 -5.515 -7.089 9.379 1.00 0.00 O ATOM 363 CB CYS A 27 -4.502 -5.436 11.909 1.00 0.00 C ATOM 364 SG CYS A 27 -5.720 -4.146 12.258 1.00 0.00 S ATOM 0 H CYS A 27 -3.586 -3.478 10.723 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.283 -6.254 10.340 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.919 -6.402 12.196 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.624 -5.270 12.533 1.00 0.00 H new ATOM 0 HG CYS A 27 -6.030 -4.172 13.520 1.00 0.00 H new ATOM 370 N GLU A 28 -5.943 -4.907 9.031 1.00 0.00 N ATOM 371 CA GLU A 28 -7.096 -5.158 8.174 1.00 0.00 C ATOM 372 C GLU A 28 -6.653 -5.615 6.787 1.00 0.00 C ATOM 373 O GLU A 28 -7.081 -6.661 6.299 1.00 0.00 O ATOM 374 CB GLU A 28 -7.957 -3.899 8.058 1.00 0.00 C ATOM 375 CG GLU A 28 -9.052 -4.005 7.010 1.00 0.00 C ATOM 376 CD GLU A 28 -10.040 -5.116 7.309 1.00 0.00 C ATOM 377 OE1 GLU A 28 -9.594 -6.245 7.599 1.00 0.00 O ATOM 378 OE2 GLU A 28 -11.261 -4.854 7.253 1.00 0.00 O ATOM 0 H GLU A 28 -5.731 -3.920 9.176 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.688 -5.953 8.628 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.412 -3.689 9.026 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.316 -3.051 7.817 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.585 -3.056 6.950 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.600 -4.179 6.034 1.00 0.00 H new ATOM 385 N VAL A 29 -5.794 -4.822 6.155 1.00 0.00 N ATOM 386 CA VAL A 29 -5.292 -5.143 4.825 1.00 0.00 C ATOM 387 C VAL A 29 -4.957 -6.626 4.707 1.00 0.00 C ATOM 388 O VAL A 29 -5.472 -7.321 3.832 1.00 0.00 O ATOM 389 CB VAL A 29 -4.039 -4.316 4.482 1.00 0.00 C ATOM 390 CG1 VAL A 29 -3.463 -4.749 3.143 1.00 0.00 C ATOM 391 CG2 VAL A 29 -4.366 -2.831 4.476 1.00 0.00 C ATOM 0 H VAL A 29 -5.431 -3.952 6.543 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.085 -4.895 4.120 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.286 -4.495 5.249 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.578 -4.153 2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.189 -5.803 3.189 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.208 -4.601 2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.469 -2.262 4.232 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.137 -2.631 3.731 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.727 -2.534 5.461 1.00 0.00 H new ATOM 401 N GLU A 30 -4.091 -7.104 5.596 1.00 0.00 N ATOM 402 CA GLU A 30 -3.687 -8.505 5.591 1.00 0.00 C ATOM 403 C GLU A 30 -4.904 -9.421 5.498 1.00 0.00 C ATOM 404 O GLU A 30 -4.932 -10.354 4.695 1.00 0.00 O ATOM 405 CB GLU A 30 -2.884 -8.832 6.851 1.00 0.00 C ATOM 406 CG GLU A 30 -2.451 -10.285 6.937 1.00 0.00 C ATOM 407 CD GLU A 30 -2.185 -10.732 8.362 1.00 0.00 C ATOM 408 OE1 GLU A 30 -3.020 -10.438 9.242 1.00 0.00 O ATOM 409 OE2 GLU A 30 -1.140 -11.375 8.596 1.00 0.00 O ATOM 0 H GLU A 30 -3.656 -6.542 6.328 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.059 -8.673 4.716 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.000 -8.196 6.883 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.484 -8.588 7.728 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.224 -10.917 6.500 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.549 -10.427 6.341 1.00 0.00 H new ATOM 416 N ARG A 31 -5.907 -9.149 6.325 1.00 0.00 N ATOM 417 CA ARG A 31 -7.126 -9.949 6.338 1.00 0.00 C ATOM 418 C ARG A 31 -7.815 -9.912 4.978 1.00 0.00 C ATOM 419 O ARG A 31 -8.191 -10.950 4.432 1.00 0.00 O ATOM 420 CB ARG A 31 -8.082 -9.443 7.421 1.00 0.00 C ATOM 421 CG ARG A 31 -9.322 -10.306 7.588 1.00 0.00 C ATOM 422 CD ARG A 31 -10.437 -9.867 6.652 1.00 0.00 C ATOM 423 NE ARG A 31 -11.677 -10.598 6.896 1.00 0.00 N ATOM 424 CZ ARG A 31 -12.735 -10.538 6.095 1.00 0.00 C ATOM 425 NH1 ARG A 31 -12.703 -9.787 5.004 1.00 0.00 N ATOM 426 NH2 ARG A 31 -13.828 -11.233 6.386 1.00 0.00 N ATOM 0 H ARG A 31 -5.900 -8.380 6.995 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.852 -10.981 6.559 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.550 -9.398 8.371 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.388 -8.425 7.178 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.070 -11.348 7.392 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.669 -10.251 8.620 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.615 -8.799 6.777 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.124 -10.019 5.619 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.734 -11.187 7.727 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.864 -9.253 4.777 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.517 -9.743 4.391 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.855 -11.813 7.225 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -14.640 -11.187 5.771 1.00 0.00 H new ATOM 440 N LEU A 32 -7.979 -8.710 4.436 1.00 0.00 N ATOM 441 CA LEU A 32 -8.624 -8.537 3.139 1.00 0.00 C ATOM 442 C LEU A 32 -7.992 -9.447 2.091 1.00 0.00 C ATOM 443 O LEU A 32 -8.693 -10.133 1.346 1.00 0.00 O ATOM 444 CB LEU A 32 -8.526 -7.078 2.689 1.00 0.00 C ATOM 445 CG LEU A 32 -9.017 -6.032 3.691 1.00 0.00 C ATOM 446 CD1 LEU A 32 -8.674 -4.630 3.211 1.00 0.00 C ATOM 447 CD2 LEU A 32 -10.516 -6.170 3.914 1.00 0.00 C ATOM 0 H LEU A 32 -7.674 -7.841 4.875 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.674 -8.809 3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.485 -6.862 2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.096 -6.964 1.767 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.511 -6.202 4.642 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.031 -3.899 3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.593 -4.536 3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.151 -4.448 2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.848 -5.418 4.630 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.039 -6.027 2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.736 -7.164 4.304 1.00 0.00 H new ATOM 459 N PHE A 33 -6.664 -9.450 2.040 1.00 0.00 N ATOM 460 CA PHE A 33 -5.938 -10.277 1.084 1.00 0.00 C ATOM 461 C PHE A 33 -6.359 -11.739 1.200 1.00 0.00 C ATOM 462 O PHE A 33 -6.955 -12.301 0.280 1.00 0.00 O ATOM 463 CB PHE A 33 -4.430 -10.149 1.309 1.00 0.00 C ATOM 464 CG PHE A 33 -3.848 -8.877 0.764 1.00 0.00 C ATOM 465 CD1 PHE A 33 -4.629 -7.739 0.642 1.00 0.00 C ATOM 466 CD2 PHE A 33 -2.520 -8.818 0.373 1.00 0.00 C ATOM 467 CE1 PHE A 33 -4.096 -6.567 0.139 1.00 0.00 C ATOM 468 CE2 PHE A 33 -1.981 -7.648 -0.129 1.00 0.00 C ATOM 469 CZ PHE A 33 -2.770 -6.521 -0.246 1.00 0.00 C ATOM 0 H PHE A 33 -6.069 -8.889 2.650 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.180 -9.926 0.081 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.224 -10.204 2.378 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.928 -10.997 0.844 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.666 -7.768 0.943 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.898 -9.697 0.461 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.716 -5.687 0.047 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.944 -7.616 -0.429 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.352 -5.606 -0.638 1.00 0.00 H new ATOM 479 N LYS A 34 -6.043 -12.351 2.336 1.00 0.00 N ATOM 480 CA LYS A 34 -6.388 -13.747 2.575 1.00 0.00 C ATOM 481 C LYS A 34 -7.891 -13.969 2.434 1.00 0.00 C ATOM 482 O LYS A 34 -8.357 -15.106 2.370 1.00 0.00 O ATOM 483 CB LYS A 34 -5.928 -14.176 3.970 1.00 0.00 C ATOM 484 CG LYS A 34 -4.438 -13.991 4.203 1.00 0.00 C ATOM 485 CD LYS A 34 -4.106 -13.947 5.685 1.00 0.00 C ATOM 486 CE LYS A 34 -2.640 -13.615 5.918 1.00 0.00 C ATOM 487 NZ LYS A 34 -2.340 -13.413 7.363 1.00 0.00 N ATOM 0 H LYS A 34 -5.548 -11.902 3.106 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.877 -14.354 1.827 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.478 -13.603 4.717 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.183 -15.225 4.121 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.891 -14.807 3.731 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.106 -13.068 3.727 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.732 -13.202 6.177 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.339 -14.910 6.140 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.019 -14.421 5.527 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.379 -12.714 5.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.485 -12.830 7.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.141 -12.933 7.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.184 -14.335 7.817 1.00 0.00 H new ATOM 501 N ALA A 35 -8.643 -12.875 2.385 1.00 0.00 N ATOM 502 CA ALA A 35 -10.092 -12.950 2.248 1.00 0.00 C ATOM 503 C ALA A 35 -10.498 -13.102 0.786 1.00 0.00 C ATOM 504 O ALA A 35 -11.246 -14.014 0.429 1.00 0.00 O ATOM 505 CB ALA A 35 -10.745 -11.715 2.852 1.00 0.00 C ATOM 0 H ALA A 35 -8.273 -11.926 2.438 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.437 -13.831 2.788 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.827 -11.785 2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.491 -11.650 3.910 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.385 -10.824 2.337 1.00 0.00 H new ATOM 511 N THR A 36 -10.001 -12.203 -0.059 1.00 0.00 N ATOM 512 CA THR A 36 -10.313 -12.237 -1.482 1.00 0.00 C ATOM 513 C THR A 36 -9.900 -13.566 -2.104 1.00 0.00 C ATOM 514 O THR A 36 -10.485 -14.007 -3.093 1.00 0.00 O ATOM 515 CB THR A 36 -9.615 -11.090 -2.237 1.00 0.00 C ATOM 516 OG1 THR A 36 -9.882 -11.194 -3.640 1.00 0.00 O ATOM 517 CG2 THR A 36 -8.113 -11.120 -1.997 1.00 0.00 C ATOM 0 H THR A 36 -9.381 -11.442 0.218 1.00 0.00 H new ATOM 0 HA THR A 36 -11.393 -12.117 -1.572 1.00 0.00 H new ATOM 0 HB THR A 36 -10.008 -10.145 -1.862 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.436 -10.461 -4.113 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.641 -10.301 -2.540 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.913 -11.012 -0.931 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.707 -12.069 -2.348 1.00 0.00 H new ATOM 525 N SER A 37 -8.890 -14.200 -1.518 1.00 0.00 N ATOM 526 CA SER A 37 -8.397 -15.478 -2.017 1.00 0.00 C ATOM 527 C SER A 37 -9.504 -16.528 -2.011 1.00 0.00 C ATOM 528 O SER A 37 -10.357 -16.562 -1.123 1.00 0.00 O ATOM 529 CB SER A 37 -7.217 -15.960 -1.171 1.00 0.00 C ATOM 530 OG SER A 37 -7.625 -16.246 0.156 1.00 0.00 O ATOM 0 H SER A 37 -8.397 -13.849 -0.697 1.00 0.00 H new ATOM 0 HA SER A 37 -8.063 -15.333 -3.044 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.783 -16.852 -1.622 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.438 -15.197 -1.159 1.00 0.00 H new ATOM 0 HG SER A 37 -8.138 -15.490 0.511 1.00 0.00 H new ATOM 536 N PRO A 38 -9.493 -17.405 -3.025 1.00 0.00 N ATOM 537 CA PRO A 38 -10.488 -18.473 -3.159 1.00 0.00 C ATOM 538 C PRO A 38 -10.328 -19.552 -2.094 1.00 0.00 C ATOM 539 O PRO A 38 -11.306 -19.990 -1.489 1.00 0.00 O ATOM 540 CB PRO A 38 -10.206 -19.048 -4.550 1.00 0.00 C ATOM 541 CG PRO A 38 -8.773 -18.734 -4.806 1.00 0.00 C ATOM 542 CD PRO A 38 -8.506 -17.424 -4.118 1.00 0.00 C ATOM 0 HA PRO A 38 -11.505 -18.100 -3.035 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.387 -20.122 -4.578 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -10.851 -18.596 -5.303 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.126 -19.519 -4.415 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -8.575 -18.661 -5.875 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.486 -17.370 -3.739 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.640 -16.580 -4.795 1.00 0.00 H new ATOM 550 N ARG A 39 -9.089 -19.977 -1.870 1.00 0.00 N ATOM 551 CA ARG A 39 -8.801 -21.006 -0.878 1.00 0.00 C ATOM 552 C ARG A 39 -8.484 -20.381 0.477 1.00 0.00 C ATOM 553 O ARG A 39 -8.315 -21.084 1.472 1.00 0.00 O ATOM 554 CB ARG A 39 -7.629 -21.875 -1.338 1.00 0.00 C ATOM 555 CG ARG A 39 -7.702 -22.268 -2.805 1.00 0.00 C ATOM 556 CD ARG A 39 -6.318 -22.513 -3.385 1.00 0.00 C ATOM 557 NE ARG A 39 -5.883 -23.895 -3.201 1.00 0.00 N ATOM 558 CZ ARG A 39 -4.755 -24.384 -3.703 1.00 0.00 C ATOM 559 NH1 ARG A 39 -3.951 -23.606 -4.416 1.00 0.00 N ATOM 560 NH2 ARG A 39 -4.428 -25.652 -3.492 1.00 0.00 N ATOM 0 H ARG A 39 -8.268 -19.625 -2.362 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.688 -21.631 -0.772 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.697 -21.338 -1.160 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.597 -22.779 -0.729 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.307 -23.168 -2.912 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.200 -21.480 -3.370 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.323 -22.273 -4.448 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.602 -21.842 -2.910 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.479 -24.519 -2.657 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.199 -22.630 -4.580 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.085 -23.984 -4.801 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.043 -26.253 -2.944 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.561 -26.026 -3.878 1.00 0.00 H new ATOM 574 N GLY A 40 -8.403 -19.054 0.507 1.00 0.00 N ATOM 575 CA GLY A 40 -8.105 -18.357 1.744 1.00 0.00 C ATOM 576 C GLY A 40 -6.642 -17.974 1.857 1.00 0.00 C ATOM 577 O GLY A 40 -6.210 -17.444 2.880 1.00 0.00 O ATOM 0 H GLY A 40 -8.538 -18.450 -0.303 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.718 -17.458 1.808 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.378 -18.990 2.589 1.00 0.00 H new ATOM 581 N GLU A 41 -5.879 -18.244 0.802 1.00 0.00 N ATOM 582 CA GLU A 41 -4.456 -17.926 0.789 1.00 0.00 C ATOM 583 C GLU A 41 -4.108 -17.038 -0.402 1.00 0.00 C ATOM 584 O GLU A 41 -4.375 -17.372 -1.557 1.00 0.00 O ATOM 585 CB GLU A 41 -3.624 -19.210 0.742 1.00 0.00 C ATOM 586 CG GLU A 41 -3.835 -20.026 -0.522 1.00 0.00 C ATOM 587 CD GLU A 41 -3.136 -21.371 -0.471 1.00 0.00 C ATOM 588 OE1 GLU A 41 -1.889 -21.387 -0.399 1.00 0.00 O ATOM 589 OE2 GLU A 41 -3.834 -22.405 -0.505 1.00 0.00 O ATOM 0 H GLU A 41 -6.222 -18.681 -0.053 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.223 -17.384 1.705 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.568 -18.952 0.826 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.872 -19.825 1.607 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.903 -20.181 -0.676 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.468 -19.462 -1.380 1.00 0.00 H new ATOM 596 N PRO A 42 -3.498 -15.878 -0.117 1.00 0.00 N ATOM 597 CA PRO A 42 -3.100 -14.918 -1.150 1.00 0.00 C ATOM 598 C PRO A 42 -1.943 -15.429 -2.002 1.00 0.00 C ATOM 599 O PRO A 42 -1.254 -16.376 -1.625 1.00 0.00 O ATOM 600 CB PRO A 42 -2.668 -13.689 -0.345 1.00 0.00 C ATOM 601 CG PRO A 42 -2.259 -14.230 0.982 1.00 0.00 C ATOM 602 CD PRO A 42 -3.148 -15.416 1.237 1.00 0.00 C ATOM 0 HA PRO A 42 -3.907 -14.721 -1.855 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.844 -13.167 -0.831 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.484 -12.973 -0.246 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.209 -14.523 0.977 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.377 -13.479 1.763 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.632 -16.190 1.805 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.034 -15.139 1.808 1.00 0.00 H new ATOM 610 N GLN A 43 -1.737 -14.796 -3.153 1.00 0.00 N ATOM 611 CA GLN A 43 -0.664 -15.189 -4.059 1.00 0.00 C ATOM 612 C GLN A 43 0.519 -14.233 -3.947 1.00 0.00 C ATOM 613 O GLN A 43 0.342 -13.018 -3.860 1.00 0.00 O ATOM 614 CB GLN A 43 -1.172 -15.224 -5.501 1.00 0.00 C ATOM 615 CG GLN A 43 -1.811 -16.548 -5.889 1.00 0.00 C ATOM 616 CD GLN A 43 -2.646 -16.446 -7.150 1.00 0.00 C ATOM 617 OE1 GLN A 43 -2.272 -16.970 -8.200 1.00 0.00 O ATOM 618 NE2 GLN A 43 -3.784 -15.769 -7.053 1.00 0.00 N ATOM 0 H GLN A 43 -2.299 -14.010 -3.480 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.330 -16.187 -3.775 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.899 -14.424 -5.641 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.340 -15.020 -6.175 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -1.031 -17.295 -6.034 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.439 -16.898 -5.070 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.055 -15.351 -6.163 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.388 -15.667 -7.869 1.00 0.00 H new ATOM 627 N ASP A 44 1.725 -14.789 -3.950 1.00 0.00 N ATOM 628 CA ASP A 44 2.938 -13.986 -3.850 1.00 0.00 C ATOM 629 C ASP A 44 2.888 -12.804 -4.812 1.00 0.00 C ATOM 630 O ASP A 44 2.601 -12.967 -5.998 1.00 0.00 O ATOM 631 CB ASP A 44 4.170 -14.845 -4.141 1.00 0.00 C ATOM 632 CG ASP A 44 5.467 -14.101 -3.891 1.00 0.00 C ATOM 633 OD1 ASP A 44 5.469 -12.858 -4.007 1.00 0.00 O ATOM 634 OD2 ASP A 44 6.480 -14.762 -3.579 1.00 0.00 O ATOM 0 H ASP A 44 1.889 -15.793 -4.021 1.00 0.00 H new ATOM 0 HA ASP A 44 3.006 -13.601 -2.833 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.141 -15.739 -3.518 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.140 -15.178 -5.178 1.00 0.00 H new ATOM 639 N GLY A 45 3.168 -11.612 -4.294 1.00 0.00 N ATOM 640 CA GLY A 45 3.148 -10.420 -5.121 1.00 0.00 C ATOM 641 C GLY A 45 1.921 -9.565 -4.876 1.00 0.00 C ATOM 642 O GLY A 45 1.852 -8.421 -5.327 1.00 0.00 O ATOM 0 H GLY A 45 3.408 -11.451 -3.316 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.043 -9.830 -4.924 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.181 -10.710 -6.171 1.00 0.00 H new ATOM 646 N LEU A 46 0.949 -10.119 -4.160 1.00 0.00 N ATOM 647 CA LEU A 46 -0.284 -9.400 -3.857 1.00 0.00 C ATOM 648 C LEU A 46 0.018 -8.046 -3.225 1.00 0.00 C ATOM 649 O LEU A 46 0.459 -7.969 -2.078 1.00 0.00 O ATOM 650 CB LEU A 46 -1.164 -10.229 -2.920 1.00 0.00 C ATOM 651 CG LEU A 46 -2.662 -9.927 -2.964 1.00 0.00 C ATOM 652 CD1 LEU A 46 -3.183 -10.015 -4.390 1.00 0.00 C ATOM 653 CD2 LEU A 46 -3.425 -10.880 -2.056 1.00 0.00 C ATOM 0 H LEU A 46 0.991 -11.064 -3.778 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.818 -9.233 -4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.019 -11.283 -3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.814 -10.080 -1.899 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.819 -8.910 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.251 -9.797 -4.401 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.658 -9.292 -5.014 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.014 -11.019 -4.778 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.490 -10.650 -2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.261 -11.906 -2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.072 -10.767 -1.031 1.00 0.00 H new ATOM 665 N TYR A 47 -0.226 -6.979 -3.978 1.00 0.00 N ATOM 666 CA TYR A 47 0.019 -5.627 -3.491 1.00 0.00 C ATOM 667 C TYR A 47 -1.264 -4.802 -3.505 1.00 0.00 C ATOM 668 O TYR A 47 -2.248 -5.174 -4.146 1.00 0.00 O ATOM 669 CB TYR A 47 1.089 -4.942 -4.343 1.00 0.00 C ATOM 670 CG TYR A 47 0.653 -4.680 -5.767 1.00 0.00 C ATOM 671 CD1 TYR A 47 0.831 -5.638 -6.757 1.00 0.00 C ATOM 672 CD2 TYR A 47 0.061 -3.474 -6.122 1.00 0.00 C ATOM 673 CE1 TYR A 47 0.435 -5.403 -8.059 1.00 0.00 C ATOM 674 CE2 TYR A 47 -0.339 -3.230 -7.422 1.00 0.00 C ATOM 675 CZ TYR A 47 -0.150 -4.197 -8.386 1.00 0.00 C ATOM 676 OH TYR A 47 -0.547 -3.959 -9.682 1.00 0.00 O ATOM 0 H TYR A 47 -0.593 -7.025 -4.928 1.00 0.00 H new ATOM 0 HA TYR A 47 0.373 -5.697 -2.462 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.363 -3.996 -3.876 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.985 -5.563 -4.355 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.287 -6.584 -6.504 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.089 -2.714 -5.369 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.582 -6.159 -8.817 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.797 -2.287 -7.681 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.941 -3.064 -9.744 1.00 0.00 H new ATOM 686 N CYS A 48 -1.245 -3.679 -2.796 1.00 0.00 N ATOM 687 CA CYS A 48 -2.406 -2.799 -2.725 1.00 0.00 C ATOM 688 C CYS A 48 -2.005 -1.407 -2.249 1.00 0.00 C ATOM 689 O CYS A 48 -0.826 -1.132 -2.025 1.00 0.00 O ATOM 690 CB CYS A 48 -3.461 -3.387 -1.788 1.00 0.00 C ATOM 691 SG CYS A 48 -3.230 -2.950 -0.049 1.00 0.00 S ATOM 0 H CYS A 48 -0.438 -3.356 -2.262 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.827 -2.713 -3.727 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.446 -3.048 -2.109 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.451 -4.473 -1.883 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.865 -4.004 0.619 1.00 0.00 H new ATOM 697 N ILE A 49 -2.993 -0.531 -2.099 1.00 0.00 N ATOM 698 CA ILE A 49 -2.743 0.833 -1.651 1.00 0.00 C ATOM 699 C ILE A 49 -3.781 1.274 -0.625 1.00 0.00 C ATOM 700 O ILE A 49 -4.926 1.565 -0.971 1.00 0.00 O ATOM 701 CB ILE A 49 -2.750 1.824 -2.830 1.00 0.00 C ATOM 702 CG1 ILE A 49 -1.592 1.524 -3.783 1.00 0.00 C ATOM 703 CG2 ILE A 49 -2.668 3.255 -2.320 1.00 0.00 C ATOM 704 CD1 ILE A 49 -1.717 2.217 -5.122 1.00 0.00 C ATOM 0 H ILE A 49 -3.974 -0.742 -2.281 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.755 0.837 -1.190 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.685 1.708 -3.378 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.657 1.827 -3.312 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.534 0.448 -3.944 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.674 3.943 -3.165 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.524 3.462 -1.677 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.747 3.386 -1.751 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.862 1.959 -5.746 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.635 1.896 -5.614 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.744 3.296 -4.972 1.00 0.00 H new ATOM 716 N ARG A 50 -3.373 1.322 0.639 1.00 0.00 N ATOM 717 CA ARG A 50 -4.267 1.728 1.716 1.00 0.00 C ATOM 718 C ARG A 50 -3.961 3.152 2.171 1.00 0.00 C ATOM 719 O ARG A 50 -2.933 3.722 1.807 1.00 0.00 O ATOM 720 CB ARG A 50 -4.145 0.766 2.900 1.00 0.00 C ATOM 721 CG ARG A 50 -2.901 0.994 3.743 1.00 0.00 C ATOM 722 CD ARG A 50 -3.069 0.432 5.146 1.00 0.00 C ATOM 723 NE ARG A 50 -2.317 1.198 6.136 1.00 0.00 N ATOM 724 CZ ARG A 50 -1.004 1.092 6.305 1.00 0.00 C ATOM 725 NH1 ARG A 50 -0.301 0.256 5.554 1.00 0.00 N ATOM 726 NH2 ARG A 50 -0.391 1.823 7.227 1.00 0.00 N ATOM 0 H ARG A 50 -2.428 1.085 0.942 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.288 1.698 1.336 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.026 0.868 3.533 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.138 -0.258 2.526 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.043 0.524 3.262 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.689 2.062 3.800 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.126 0.433 5.413 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.737 -0.606 5.163 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.828 1.850 6.730 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.768 -0.308 4.844 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.707 0.177 5.686 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.928 2.467 7.807 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.617 1.741 7.356 1.00 0.00 H new ATOM 740 N ASN A 51 -4.860 3.720 2.967 1.00 0.00 N ATOM 741 CA ASN A 51 -4.686 5.078 3.470 1.00 0.00 C ATOM 742 C ASN A 51 -4.016 5.069 4.841 1.00 0.00 C ATOM 743 O ASN A 51 -4.132 4.101 5.593 1.00 0.00 O ATOM 744 CB ASN A 51 -6.037 5.790 3.555 1.00 0.00 C ATOM 745 CG ASN A 51 -6.506 6.303 2.207 1.00 0.00 C ATOM 746 OD1 ASN A 51 -6.411 7.496 1.918 1.00 0.00 O ATOM 747 ND2 ASN A 51 -7.016 5.402 1.376 1.00 0.00 N ATOM 0 H ASN A 51 -5.716 3.262 3.278 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.042 5.616 2.774 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.782 5.104 3.959 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.962 6.625 4.252 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.349 5.688 0.455 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.075 4.424 1.658 1.00 0.00 H new ATOM 830 N LYS A 58 -0.840 7.927 1.421 1.00 0.00 N ATOM 831 CA LYS A 58 -1.084 6.510 1.182 1.00 0.00 C ATOM 832 C LYS A 58 0.131 5.675 1.574 1.00 0.00 C ATOM 833 O LYS A 58 1.206 6.213 1.841 1.00 0.00 O ATOM 834 CB LYS A 58 -1.425 6.271 -0.291 1.00 0.00 C ATOM 835 CG LYS A 58 -2.632 7.058 -0.771 1.00 0.00 C ATOM 836 CD LYS A 58 -3.925 6.297 -0.532 1.00 0.00 C ATOM 837 CE LYS A 58 -5.032 6.774 -1.459 1.00 0.00 C ATOM 838 NZ LYS A 58 -5.669 8.026 -0.965 1.00 0.00 N ATOM 0 HA LYS A 58 -1.929 6.204 1.799 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.562 6.536 -0.903 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.610 5.208 -0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.672 8.016 -0.253 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.527 7.274 -1.834 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.755 5.231 -0.685 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.237 6.424 0.505 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.623 6.943 -2.455 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.788 5.994 -1.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.503 8.244 -1.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.961 7.900 0.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.988 8.810 -1.028 1.00 0.00 H new ATOM 852 N VAL A 59 -0.046 4.358 1.606 1.00 0.00 N ATOM 853 CA VAL A 59 1.037 3.449 1.963 1.00 0.00 C ATOM 854 C VAL A 59 0.938 2.143 1.183 1.00 0.00 C ATOM 855 O VAL A 59 -0.009 1.375 1.354 1.00 0.00 O ATOM 856 CB VAL A 59 1.032 3.135 3.471 1.00 0.00 C ATOM 857 CG1 VAL A 59 2.195 2.224 3.831 1.00 0.00 C ATOM 858 CG2 VAL A 59 1.080 4.421 4.283 1.00 0.00 C ATOM 0 H VAL A 59 -0.929 3.897 1.389 1.00 0.00 H new ATOM 0 HA VAL A 59 1.970 3.952 1.707 1.00 0.00 H new ATOM 0 HB VAL A 59 0.106 2.614 3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.175 2.013 4.900 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.111 1.290 3.276 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.134 2.715 3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.076 4.180 5.346 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.989 4.972 4.039 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.210 5.034 4.046 1.00 0.00 H new ATOM 868 N LEU A 60 1.923 1.897 0.326 1.00 0.00 N ATOM 869 CA LEU A 60 1.948 0.682 -0.482 1.00 0.00 C ATOM 870 C LEU A 60 2.151 -0.550 0.394 1.00 0.00 C ATOM 871 O LEU A 60 3.197 -0.712 1.024 1.00 0.00 O ATOM 872 CB LEU A 60 3.059 0.766 -1.530 1.00 0.00 C ATOM 873 CG LEU A 60 3.576 -0.569 -2.068 1.00 0.00 C ATOM 874 CD1 LEU A 60 2.554 -1.200 -3.000 1.00 0.00 C ATOM 875 CD2 LEU A 60 4.906 -0.376 -2.783 1.00 0.00 C ATOM 0 H LEU A 60 2.714 2.522 0.173 1.00 0.00 H new ATOM 0 HA LEU A 60 0.987 0.591 -0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.695 1.357 -2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.899 1.310 -1.098 1.00 0.00 H new ATOM 0 HG LEU A 60 3.733 -1.243 -1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.939 -2.149 -3.373 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.625 -1.374 -2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.364 -0.530 -3.839 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.259 -1.336 -3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.774 0.314 -3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.638 0.032 -2.086 1.00 0.00 H new ATOM 887 N VAL A 61 1.145 -1.418 0.428 1.00 0.00 N ATOM 888 CA VAL A 61 1.215 -2.638 1.224 1.00 0.00 C ATOM 889 C VAL A 61 1.295 -3.872 0.332 1.00 0.00 C ATOM 890 O VAL A 61 0.360 -4.177 -0.409 1.00 0.00 O ATOM 891 CB VAL A 61 -0.004 -2.770 2.156 1.00 0.00 C ATOM 892 CG1 VAL A 61 -0.091 -4.177 2.726 1.00 0.00 C ATOM 893 CG2 VAL A 61 0.064 -1.738 3.271 1.00 0.00 C ATOM 0 H VAL A 61 0.272 -1.299 -0.086 1.00 0.00 H new ATOM 0 HA VAL A 61 2.120 -2.571 1.828 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.906 -2.583 1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.958 -4.251 3.382 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.190 -4.894 1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.813 -4.396 3.294 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.805 -1.846 3.920 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.973 -1.891 3.853 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.073 -0.737 2.840 1.00 0.00 H new ATOM 903 N VAL A 62 2.417 -4.580 0.410 1.00 0.00 N ATOM 904 CA VAL A 62 2.619 -5.782 -0.389 1.00 0.00 C ATOM 905 C VAL A 62 2.550 -7.035 0.477 1.00 0.00 C ATOM 906 O VAL A 62 2.729 -6.972 1.693 1.00 0.00 O ATOM 907 CB VAL A 62 3.975 -5.750 -1.119 1.00 0.00 C ATOM 908 CG1 VAL A 62 3.947 -6.659 -2.338 1.00 0.00 C ATOM 909 CG2 VAL A 62 4.334 -4.325 -1.514 1.00 0.00 C ATOM 0 H VAL A 62 3.200 -4.342 1.019 1.00 0.00 H new ATOM 0 HA VAL A 62 1.818 -5.809 -1.128 1.00 0.00 H new ATOM 0 HB VAL A 62 4.743 -6.118 -0.439 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.913 -6.623 -2.841 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.739 -7.682 -2.024 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.169 -6.324 -3.024 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.295 -4.321 -2.029 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.566 -3.927 -2.177 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.399 -3.705 -0.620 1.00 0.00 H new ATOM 919 N TRP A 63 2.291 -8.173 -0.158 1.00 0.00 N ATOM 920 CA TRP A 63 2.199 -9.442 0.555 1.00 0.00 C ATOM 921 C TRP A 63 3.469 -10.264 0.369 1.00 0.00 C ATOM 922 O TRP A 63 3.981 -10.389 -0.744 1.00 0.00 O ATOM 923 CB TRP A 63 0.986 -10.237 0.068 1.00 0.00 C ATOM 924 CG TRP A 63 0.998 -11.669 0.511 1.00 0.00 C ATOM 925 CD1 TRP A 63 1.258 -12.763 -0.263 1.00 0.00 C ATOM 926 CD2 TRP A 63 0.737 -12.160 1.830 1.00 0.00 C ATOM 927 NE1 TRP A 63 1.174 -13.906 0.496 1.00 0.00 N ATOM 928 CE2 TRP A 63 0.857 -13.563 1.784 1.00 0.00 C ATOM 929 CE3 TRP A 63 0.416 -11.552 3.047 1.00 0.00 C ATOM 930 CZ2 TRP A 63 0.665 -14.364 2.906 1.00 0.00 C ATOM 931 CZ3 TRP A 63 0.225 -12.348 4.160 1.00 0.00 C ATOM 932 CH2 TRP A 63 0.351 -13.741 4.084 1.00 0.00 C ATOM 0 H TRP A 63 2.141 -8.243 -1.165 1.00 0.00 H new ATOM 0 HA TRP A 63 2.081 -9.226 1.617 1.00 0.00 H new ATOM 0 HB2 TRP A 63 0.077 -9.759 0.433 1.00 0.00 H new ATOM 0 HB3 TRP A 63 0.950 -10.201 -1.021 1.00 0.00 H new ATOM 0 HD1 TRP A 63 1.495 -12.735 -1.316 1.00 0.00 H new ATOM 0 HE1 TRP A 63 1.323 -14.856 0.155 1.00 0.00 H new ATOM 0 HE3 TRP A 63 0.319 -10.479 3.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 0.760 -15.438 2.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -0.026 -11.888 5.105 1.00 0.00 H new ATOM 0 HH2 TRP A 63 0.197 -14.335 4.972 1.00 0.00 H new ATOM 943 N ASP A 64 3.973 -10.822 1.464 1.00 0.00 N ATOM 944 CA ASP A 64 5.184 -11.634 1.421 1.00 0.00 C ATOM 945 C ASP A 64 4.846 -13.119 1.506 1.00 0.00 C ATOM 946 O ASP A 64 4.506 -13.627 2.574 1.00 0.00 O ATOM 947 CB ASP A 64 6.125 -11.246 2.563 1.00 0.00 C ATOM 948 CG ASP A 64 7.469 -11.940 2.466 1.00 0.00 C ATOM 949 OD1 ASP A 64 7.566 -12.949 1.736 1.00 0.00 O ATOM 950 OD2 ASP A 64 8.425 -11.474 3.121 1.00 0.00 O ATOM 0 H ASP A 64 3.562 -10.727 2.393 1.00 0.00 H new ATOM 0 HA ASP A 64 5.683 -11.447 0.470 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.275 -10.166 2.555 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.658 -11.496 3.516 1.00 0.00 H new ATOM 955 N GLU A 65 4.941 -13.808 0.373 1.00 0.00 N ATOM 956 CA GLU A 65 4.643 -15.234 0.320 1.00 0.00 C ATOM 957 C GLU A 65 5.741 -16.045 1.003 1.00 0.00 C ATOM 958 O GLU A 65 5.479 -17.092 1.596 1.00 0.00 O ATOM 959 CB GLU A 65 4.484 -15.691 -1.131 1.00 0.00 C ATOM 960 CG GLU A 65 4.446 -17.202 -1.293 1.00 0.00 C ATOM 961 CD GLU A 65 5.823 -17.832 -1.207 1.00 0.00 C ATOM 962 OE1 GLU A 65 6.790 -17.216 -1.702 1.00 0.00 O ATOM 963 OE2 GLU A 65 5.932 -18.942 -0.645 1.00 0.00 O ATOM 0 H GLU A 65 5.222 -13.402 -0.520 1.00 0.00 H new ATOM 0 HA GLU A 65 3.706 -15.403 0.851 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.566 -15.267 -1.538 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.309 -15.291 -1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.806 -17.630 -0.522 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.997 -17.450 -2.255 1.00 0.00 H new ATOM 970 N THR A 66 6.973 -15.555 0.914 1.00 0.00 N ATOM 971 CA THR A 66 8.112 -16.233 1.521 1.00 0.00 C ATOM 972 C THR A 66 8.089 -16.096 3.039 1.00 0.00 C ATOM 973 O THR A 66 8.525 -16.993 3.759 1.00 0.00 O ATOM 974 CB THR A 66 9.446 -15.678 0.987 1.00 0.00 C ATOM 975 OG1 THR A 66 9.575 -14.295 1.333 1.00 0.00 O ATOM 976 CG2 THR A 66 9.533 -15.839 -0.524 1.00 0.00 C ATOM 0 H THR A 66 7.208 -14.690 0.427 1.00 0.00 H new ATOM 0 HA THR A 66 8.032 -17.286 1.253 1.00 0.00 H new ATOM 0 HB THR A 66 10.258 -16.243 1.444 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.780 -13.807 1.033 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.483 -15.440 -0.878 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.464 -16.896 -0.782 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.714 -15.297 -0.995 1.00 0.00 H new ATOM 984 N SER A 67 7.576 -14.967 3.518 1.00 0.00 N ATOM 985 CA SER A 67 7.498 -14.711 4.952 1.00 0.00 C ATOM 986 C SER A 67 6.067 -14.869 5.455 1.00 0.00 C ATOM 987 O SER A 67 5.821 -14.898 6.660 1.00 0.00 O ATOM 988 CB SER A 67 8.011 -13.305 5.269 1.00 0.00 C ATOM 989 OG SER A 67 9.353 -13.143 4.842 1.00 0.00 O ATOM 0 H SER A 67 7.208 -14.215 2.935 1.00 0.00 H new ATOM 0 HA SER A 67 8.126 -15.442 5.461 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.378 -12.565 4.779 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.943 -13.123 6.342 1.00 0.00 H new ATOM 0 HG SER A 67 9.427 -12.333 4.296 1.00 0.00 H new ATOM 995 N ASN A 68 5.126 -14.968 4.522 1.00 0.00 N ATOM 996 CA ASN A 68 3.718 -15.122 4.870 1.00 0.00 C ATOM 997 C ASN A 68 3.232 -13.942 5.707 1.00 0.00 C ATOM 998 O ASN A 68 2.496 -14.116 6.678 1.00 0.00 O ATOM 999 CB ASN A 68 3.499 -16.429 5.636 1.00 0.00 C ATOM 1000 CG ASN A 68 2.052 -16.879 5.609 1.00 0.00 C ATOM 1001 OD1 ASN A 68 1.315 -16.695 6.579 1.00 0.00 O ATOM 1002 ND2 ASN A 68 1.637 -17.474 4.497 1.00 0.00 N ATOM 0 H ASN A 68 5.313 -14.944 3.520 1.00 0.00 H new ATOM 0 HA ASN A 68 3.143 -15.150 3.945 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.127 -17.209 5.206 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.817 -16.298 6.670 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.673 -17.799 4.422 1.00 0.00 H new ATOM 0 HD22 ASN A 68 2.282 -17.606 3.718 1.00 0.00 H new ATOM 1009 N LYS A 69 3.650 -12.740 5.323 1.00 0.00 N ATOM 1010 CA LYS A 69 3.257 -11.530 6.036 1.00 0.00 C ATOM 1011 C LYS A 69 3.240 -10.328 5.097 1.00 0.00 C ATOM 1012 O LYS A 69 3.888 -10.336 4.050 1.00 0.00 O ATOM 1013 CB LYS A 69 4.213 -11.267 7.202 1.00 0.00 C ATOM 1014 CG LYS A 69 5.653 -11.048 6.771 1.00 0.00 C ATOM 1015 CD LYS A 69 6.500 -10.510 7.911 1.00 0.00 C ATOM 1016 CE LYS A 69 6.431 -8.992 7.988 1.00 0.00 C ATOM 1017 NZ LYS A 69 7.120 -8.467 9.199 1.00 0.00 N ATOM 0 H LYS A 69 4.261 -12.578 4.522 1.00 0.00 H new ATOM 0 HA LYS A 69 2.250 -11.678 6.427 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.870 -10.390 7.751 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.173 -12.111 7.891 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.074 -11.988 6.416 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.681 -10.350 5.934 1.00 0.00 H new ATOM 0 HD2 LYS A 69 6.159 -10.939 8.853 1.00 0.00 H new ATOM 0 HD3 LYS A 69 7.536 -10.822 7.775 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.886 -8.562 7.096 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.388 -8.676 7.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.051 -7.429 9.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 6.670 -8.857 10.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.121 -8.747 9.177 1.00 0.00 H new ATOM 1031 N VAL A 70 2.497 -9.294 5.480 1.00 0.00 N ATOM 1032 CA VAL A 70 2.398 -8.084 4.673 1.00 0.00 C ATOM 1033 C VAL A 70 3.521 -7.108 5.008 1.00 0.00 C ATOM 1034 O VAL A 70 4.097 -7.157 6.095 1.00 0.00 O ATOM 1035 CB VAL A 70 1.043 -7.381 4.880 1.00 0.00 C ATOM 1036 CG1 VAL A 70 -0.099 -8.280 4.433 1.00 0.00 C ATOM 1037 CG2 VAL A 70 0.872 -6.972 6.335 1.00 0.00 C ATOM 0 H VAL A 70 1.955 -9.270 6.344 1.00 0.00 H new ATOM 0 HA VAL A 70 2.485 -8.390 3.630 1.00 0.00 H new ATOM 0 HB VAL A 70 1.024 -6.479 4.268 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.048 -7.766 4.587 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.018 -8.518 3.376 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.086 -9.201 5.016 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.091 -6.477 6.463 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.912 -7.858 6.969 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.672 -6.288 6.617 1.00 0.00 H new ATOM 1047 N ARG A 71 3.827 -6.221 4.066 1.00 0.00 N ATOM 1048 CA ARG A 71 4.881 -5.233 4.261 1.00 0.00 C ATOM 1049 C ARG A 71 4.297 -3.828 4.365 1.00 0.00 C ATOM 1050 O ARG A 71 3.080 -3.649 4.366 1.00 0.00 O ATOM 1051 CB ARG A 71 5.886 -5.296 3.109 1.00 0.00 C ATOM 1052 CG ARG A 71 6.634 -6.616 3.024 1.00 0.00 C ATOM 1053 CD ARG A 71 7.542 -6.820 4.227 1.00 0.00 C ATOM 1054 NE ARG A 71 8.511 -5.738 4.371 1.00 0.00 N ATOM 1055 CZ ARG A 71 9.131 -5.454 5.511 1.00 0.00 C ATOM 1056 NH1 ARG A 71 8.884 -6.169 6.600 1.00 0.00 N ATOM 1057 NH2 ARG A 71 10.001 -4.453 5.563 1.00 0.00 N ATOM 0 H ARG A 71 3.360 -6.167 3.161 1.00 0.00 H new ATOM 0 HA ARG A 71 5.393 -5.464 5.195 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.360 -5.125 2.170 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.607 -4.486 3.222 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.920 -7.437 2.963 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.228 -6.641 2.110 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.937 -6.887 5.131 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.070 -7.768 4.126 1.00 0.00 H new ATOM 0 HE ARG A 71 8.724 -5.169 3.552 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.216 -6.939 6.564 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.362 -5.949 7.474 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.194 -3.901 4.727 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.477 -4.236 6.439 1.00 0.00 H new ATOM 1071 N ASN A 72 5.174 -2.833 4.453 1.00 0.00 N ATOM 1072 CA ASN A 72 4.746 -1.443 4.559 1.00 0.00 C ATOM 1073 C ASN A 72 5.677 -0.525 3.773 1.00 0.00 C ATOM 1074 O ASN A 72 6.877 -0.463 4.043 1.00 0.00 O ATOM 1075 CB ASN A 72 4.704 -1.011 6.026 1.00 0.00 C ATOM 1076 CG ASN A 72 4.157 -2.096 6.933 1.00 0.00 C ATOM 1077 OD1 ASN A 72 2.933 -2.533 6.661 1.00 0.00 O flip ATOM 1078 ND2 ASN A 72 4.828 -2.537 7.867 1.00 0.00 N flip ATOM 0 H ASN A 72 6.186 -2.964 4.453 1.00 0.00 H new ATOM 0 HA ASN A 72 3.745 -1.364 4.135 1.00 0.00 H new ATOM 0 HB2 ASN A 72 5.709 -0.742 6.351 1.00 0.00 H new ATOM 0 HB3 ASN A 72 4.088 -0.117 6.121 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.765 -2.172 8.039 1.00 0.00 H new ATOM 0 HD22 ASN A 72 4.447 -3.268 8.468 1.00 0.00 H new ATOM 1085 N TYR A 73 5.117 0.186 2.801 1.00 0.00 N ATOM 1086 CA TYR A 73 5.897 1.099 1.975 1.00 0.00 C ATOM 1087 C TYR A 73 5.222 2.465 1.886 1.00 0.00 C ATOM 1088 O TYR A 73 4.314 2.670 1.080 1.00 0.00 O ATOM 1089 CB TYR A 73 6.083 0.518 0.572 1.00 0.00 C ATOM 1090 CG TYR A 73 7.015 -0.672 0.529 1.00 0.00 C ATOM 1091 CD1 TYR A 73 8.383 -0.503 0.357 1.00 0.00 C ATOM 1092 CD2 TYR A 73 6.526 -1.966 0.660 1.00 0.00 C ATOM 1093 CE1 TYR A 73 9.237 -1.588 0.317 1.00 0.00 C ATOM 1094 CE2 TYR A 73 7.373 -3.057 0.622 1.00 0.00 C ATOM 1095 CZ TYR A 73 8.727 -2.863 0.450 1.00 0.00 C ATOM 1096 OH TYR A 73 9.575 -3.946 0.411 1.00 0.00 O ATOM 0 H TYR A 73 4.125 0.147 2.566 1.00 0.00 H new ATOM 0 HA TYR A 73 6.874 1.226 2.441 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.111 0.222 0.178 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.470 1.296 -0.086 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.786 0.494 0.253 1.00 0.00 H new ATOM 0 HD2 TYR A 73 5.466 -2.122 0.794 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.298 -1.439 0.182 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.977 -4.056 0.726 1.00 0.00 H new ATOM 0 HH TYR A 73 10.491 -3.651 0.593 1.00 0.00 H new ATOM 1106 N ARG A 74 5.673 3.396 2.720 1.00 0.00 N ATOM 1107 CA ARG A 74 5.114 4.742 2.738 1.00 0.00 C ATOM 1108 C ARG A 74 5.286 5.420 1.382 1.00 0.00 C ATOM 1109 O ARG A 74 6.381 5.432 0.818 1.00 0.00 O ATOM 1110 CB ARG A 74 5.784 5.581 3.828 1.00 0.00 C ATOM 1111 CG ARG A 74 5.087 5.495 5.176 1.00 0.00 C ATOM 1112 CD ARG A 74 5.268 6.774 5.979 1.00 0.00 C ATOM 1113 NE ARG A 74 6.477 6.741 6.798 1.00 0.00 N ATOM 1114 CZ ARG A 74 6.775 7.663 7.706 1.00 0.00 C ATOM 1115 NH1 ARG A 74 5.956 8.686 7.911 1.00 0.00 N ATOM 1116 NH2 ARG A 74 7.894 7.564 8.412 1.00 0.00 N ATOM 0 H ARG A 74 6.424 3.243 3.392 1.00 0.00 H new ATOM 0 HA ARG A 74 4.048 4.663 2.953 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.818 5.255 3.941 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.811 6.623 3.508 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.024 5.306 5.026 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.485 4.651 5.739 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.314 7.625 5.299 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.400 6.925 6.621 1.00 0.00 H new ATOM 0 HE ARG A 74 7.128 5.967 6.665 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.095 8.766 7.371 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.188 9.393 8.609 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.527 6.779 8.258 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.122 8.273 9.109 1.00 0.00 H new ATOM 1130 N ILE A 75 4.199 5.981 0.864 1.00 0.00 N ATOM 1131 CA ILE A 75 4.230 6.661 -0.425 1.00 0.00 C ATOM 1132 C ILE A 75 4.300 8.174 -0.247 1.00 0.00 C ATOM 1133 O ILE A 75 3.279 8.861 -0.273 1.00 0.00 O ATOM 1134 CB ILE A 75 2.994 6.312 -1.275 1.00 0.00 C ATOM 1135 CG1 ILE A 75 2.868 4.795 -1.432 1.00 0.00 C ATOM 1136 CG2 ILE A 75 3.081 6.985 -2.637 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.507 4.349 -1.917 1.00 0.00 C ATOM 0 H ILE A 75 3.285 5.978 1.317 1.00 0.00 H new ATOM 0 HA ILE A 75 5.126 6.317 -0.942 1.00 0.00 H new ATOM 0 HB ILE A 75 2.104 6.681 -0.765 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.627 4.446 -2.133 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.077 4.320 -0.473 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.200 6.729 -3.226 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.128 8.066 -2.506 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.977 6.643 -3.155 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.490 3.263 -2.005 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.745 4.667 -1.206 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.303 4.795 -2.890 1.00 0.00 H new ATOM 1149 N PHE A 76 5.512 8.687 -0.068 1.00 0.00 N ATOM 1150 CA PHE A 76 5.717 10.120 0.113 1.00 0.00 C ATOM 1151 C PHE A 76 5.480 10.872 -1.193 1.00 0.00 C ATOM 1152 O PHE A 76 5.405 10.270 -2.263 1.00 0.00 O ATOM 1153 CB PHE A 76 7.133 10.394 0.624 1.00 0.00 C ATOM 1154 CG PHE A 76 7.536 9.518 1.775 1.00 0.00 C ATOM 1155 CD1 PHE A 76 7.187 9.854 3.073 1.00 0.00 C ATOM 1156 CD2 PHE A 76 8.263 8.358 1.559 1.00 0.00 C ATOM 1157 CE1 PHE A 76 7.556 9.050 4.135 1.00 0.00 C ATOM 1158 CE2 PHE A 76 8.633 7.550 2.617 1.00 0.00 C ATOM 1159 CZ PHE A 76 8.281 7.897 3.907 1.00 0.00 C ATOM 0 H PHE A 76 6.368 8.132 -0.044 1.00 0.00 H new ATOM 0 HA PHE A 76 4.998 10.474 0.851 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.839 10.253 -0.194 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.204 11.438 0.930 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.620 10.755 3.257 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.543 8.083 0.553 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.278 9.323 5.142 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.197 6.647 2.435 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.572 7.268 4.735 1.00 0.00 H new ATOM 1169 N GLU A 77 5.362 12.193 -1.095 1.00 0.00 N ATOM 1170 CA GLU A 77 5.132 13.028 -2.268 1.00 0.00 C ATOM 1171 C GLU A 77 6.170 14.143 -2.354 1.00 0.00 C ATOM 1172 O GLU A 77 6.123 15.111 -1.594 1.00 0.00 O ATOM 1173 CB GLU A 77 3.725 13.627 -2.227 1.00 0.00 C ATOM 1174 CG GLU A 77 3.333 14.347 -3.506 1.00 0.00 C ATOM 1175 CD GLU A 77 2.332 15.461 -3.265 1.00 0.00 C ATOM 1176 OE1 GLU A 77 1.121 15.164 -3.194 1.00 0.00 O ATOM 1177 OE2 GLU A 77 2.759 16.628 -3.148 1.00 0.00 O ATOM 0 H GLU A 77 5.422 12.707 -0.216 1.00 0.00 H new ATOM 0 HA GLU A 77 5.225 12.400 -3.154 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.006 12.831 -2.033 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.661 14.325 -1.393 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.226 14.761 -3.974 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.909 13.629 -4.208 1.00 0.00 H new ATOM 1184 N LYS A 78 7.107 14.001 -3.285 1.00 0.00 N ATOM 1185 CA LYS A 78 8.157 14.995 -3.473 1.00 0.00 C ATOM 1186 C LYS A 78 8.210 15.463 -4.924 1.00 0.00 C ATOM 1187 O LYS A 78 8.151 14.653 -5.849 1.00 0.00 O ATOM 1188 CB LYS A 78 9.513 14.418 -3.062 1.00 0.00 C ATOM 1189 CG LYS A 78 10.695 15.124 -3.705 1.00 0.00 C ATOM 1190 CD LYS A 78 12.012 14.676 -3.094 1.00 0.00 C ATOM 1191 CE LYS A 78 12.346 15.475 -1.843 1.00 0.00 C ATOM 1192 NZ LYS A 78 12.951 16.795 -2.173 1.00 0.00 N ATOM 0 H LYS A 78 7.161 13.206 -3.922 1.00 0.00 H new ATOM 0 HA LYS A 78 7.928 15.853 -2.841 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.610 14.478 -1.978 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.544 13.361 -3.327 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.702 14.921 -4.776 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.585 16.202 -3.585 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.958 13.616 -2.846 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.812 14.792 -3.825 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.440 15.627 -1.257 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.036 14.905 -1.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.164 17.309 -1.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.829 16.650 -2.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.283 17.350 -2.745 1.00 0.00 H new ATOM 1206 N ASP A 79 8.323 16.773 -5.115 1.00 0.00 N ATOM 1207 CA ASP A 79 8.388 17.348 -6.453 1.00 0.00 C ATOM 1208 C ASP A 79 7.266 16.803 -7.333 1.00 0.00 C ATOM 1209 O ASP A 79 7.439 16.629 -8.539 1.00 0.00 O ATOM 1210 CB ASP A 79 9.744 17.052 -7.094 1.00 0.00 C ATOM 1211 CG ASP A 79 10.778 18.115 -6.777 1.00 0.00 C ATOM 1212 OD1 ASP A 79 11.142 18.253 -5.591 1.00 0.00 O ATOM 1213 OD2 ASP A 79 11.222 18.809 -7.716 1.00 0.00 O ATOM 0 H ASP A 79 8.371 17.457 -4.360 1.00 0.00 H new ATOM 0 HA ASP A 79 8.265 18.427 -6.364 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.104 16.084 -6.746 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.623 16.977 -8.175 1.00 0.00 H new ATOM 1218 N SER A 80 6.117 16.535 -6.720 1.00 0.00 N ATOM 1219 CA SER A 80 4.969 16.006 -7.446 1.00 0.00 C ATOM 1220 C SER A 80 5.262 14.607 -7.980 1.00 0.00 C ATOM 1221 O SER A 80 4.766 14.216 -9.037 1.00 0.00 O ATOM 1222 CB SER A 80 4.596 16.937 -8.601 1.00 0.00 C ATOM 1223 OG SER A 80 4.345 18.252 -8.136 1.00 0.00 O ATOM 0 H SER A 80 5.957 16.676 -5.723 1.00 0.00 H new ATOM 0 HA SER A 80 4.130 15.944 -6.753 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.403 16.955 -9.333 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.712 16.553 -9.111 1.00 0.00 H new ATOM 0 HG SER A 80 4.110 18.828 -8.894 1.00 0.00 H new ATOM 1229 N LYS A 81 6.072 13.856 -7.242 1.00 0.00 N ATOM 1230 CA LYS A 81 6.433 12.500 -7.638 1.00 0.00 C ATOM 1231 C LYS A 81 6.481 11.574 -6.426 1.00 0.00 C ATOM 1232 O LYS A 81 7.216 11.824 -5.471 1.00 0.00 O ATOM 1233 CB LYS A 81 7.787 12.497 -8.350 1.00 0.00 C ATOM 1234 CG LYS A 81 7.883 13.509 -9.478 1.00 0.00 C ATOM 1235 CD LYS A 81 8.826 13.036 -10.572 1.00 0.00 C ATOM 1236 CE LYS A 81 9.109 14.140 -11.580 1.00 0.00 C ATOM 1237 NZ LYS A 81 9.380 13.594 -12.939 1.00 0.00 N ATOM 0 H LYS A 81 6.492 14.164 -6.365 1.00 0.00 H new ATOM 0 HA LYS A 81 5.669 12.133 -8.324 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.572 12.702 -7.622 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.976 11.501 -8.750 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.892 13.681 -9.899 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.232 14.463 -9.083 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.762 12.700 -10.127 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.390 12.178 -11.084 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.257 14.818 -11.624 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.966 14.726 -11.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.568 14.377 -13.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.208 12.966 -12.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.553 13.056 -13.268 1.00 0.00 H new ATOM 1251 N PHE A 82 5.694 10.504 -6.473 1.00 0.00 N ATOM 1252 CA PHE A 82 5.648 9.541 -5.380 1.00 0.00 C ATOM 1253 C PHE A 82 6.971 8.790 -5.261 1.00 0.00 C ATOM 1254 O PHE A 82 7.553 8.373 -6.262 1.00 0.00 O ATOM 1255 CB PHE A 82 4.503 8.549 -5.594 1.00 0.00 C ATOM 1256 CG PHE A 82 3.216 9.201 -6.012 1.00 0.00 C ATOM 1257 CD1 PHE A 82 2.629 10.176 -5.221 1.00 0.00 C ATOM 1258 CD2 PHE A 82 2.593 8.838 -7.195 1.00 0.00 C ATOM 1259 CE1 PHE A 82 1.444 10.776 -5.603 1.00 0.00 C ATOM 1260 CE2 PHE A 82 1.408 9.436 -7.583 1.00 0.00 C ATOM 1261 CZ PHE A 82 0.834 10.407 -6.786 1.00 0.00 C ATOM 0 H PHE A 82 5.080 10.282 -7.256 1.00 0.00 H new ATOM 0 HA PHE A 82 5.477 10.089 -4.453 1.00 0.00 H new ATOM 0 HB2 PHE A 82 4.798 7.825 -6.353 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.337 7.994 -4.671 1.00 0.00 H new ATOM 0 HD1 PHE A 82 3.103 10.470 -4.296 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.038 8.079 -7.822 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.995 11.533 -4.977 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.932 9.144 -8.508 1.00 0.00 H new ATOM 0 HZ PHE A 82 -0.090 10.877 -7.087 1.00 0.00 H new ATOM 1271 N TYR A 83 7.439 8.621 -4.029 1.00 0.00 N ATOM 1272 CA TYR A 83 8.695 7.923 -3.778 1.00 0.00 C ATOM 1273 C TYR A 83 8.657 7.202 -2.434 1.00 0.00 C ATOM 1274 O TYR A 83 7.859 7.537 -1.558 1.00 0.00 O ATOM 1275 CB TYR A 83 9.865 8.908 -3.809 1.00 0.00 C ATOM 1276 CG TYR A 83 9.966 9.767 -2.569 1.00 0.00 C ATOM 1277 CD1 TYR A 83 10.713 9.353 -1.472 1.00 0.00 C ATOM 1278 CD2 TYR A 83 9.315 10.992 -2.493 1.00 0.00 C ATOM 1279 CE1 TYR A 83 10.808 10.134 -0.337 1.00 0.00 C ATOM 1280 CE2 TYR A 83 9.405 11.780 -1.362 1.00 0.00 C ATOM 1281 CZ TYR A 83 10.153 11.347 -0.287 1.00 0.00 C ATOM 1282 OH TYR A 83 10.244 12.129 0.842 1.00 0.00 O ATOM 0 H TYR A 83 6.968 8.957 -3.189 1.00 0.00 H new ATOM 0 HA TYR A 83 8.833 7.181 -4.564 1.00 0.00 H new ATOM 0 HB2 TYR A 83 10.794 8.352 -3.932 1.00 0.00 H new ATOM 0 HB3 TYR A 83 9.762 9.554 -4.681 1.00 0.00 H new ATOM 0 HD1 TYR A 83 11.228 8.404 -1.508 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.728 11.334 -3.333 1.00 0.00 H new ATOM 0 HE1 TYR A 83 11.392 9.797 0.507 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.893 12.730 -1.320 1.00 0.00 H new ATOM 0 HH TYR A 83 9.726 12.951 0.713 1.00 0.00 H new ATOM 1292 N LEU A 84 9.528 6.210 -2.278 1.00 0.00 N ATOM 1293 CA LEU A 84 9.597 5.440 -1.041 1.00 0.00 C ATOM 1294 C LEU A 84 10.987 5.529 -0.421 1.00 0.00 C ATOM 1295 O LEU A 84 11.162 5.283 0.772 1.00 0.00 O ATOM 1296 CB LEU A 84 9.237 3.977 -1.307 1.00 0.00 C ATOM 1297 CG LEU A 84 8.165 3.732 -2.369 1.00 0.00 C ATOM 1298 CD1 LEU A 84 8.029 2.245 -2.656 1.00 0.00 C ATOM 1299 CD2 LEU A 84 6.832 4.316 -1.927 1.00 0.00 C ATOM 0 H LEU A 84 10.196 5.920 -2.993 1.00 0.00 H new ATOM 0 HA LEU A 84 8.879 5.863 -0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.143 3.449 -1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.902 3.530 -0.371 1.00 0.00 H new ATOM 0 HG LEU A 84 8.470 4.232 -3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.262 2.089 -3.414 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.981 1.856 -3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.747 1.722 -1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.081 4.132 -2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.520 3.845 -0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.938 5.390 -1.773 1.00 0.00 H new ATOM 1311 N GLU A 85 11.973 5.885 -1.239 1.00 0.00 N ATOM 1312 CA GLU A 85 13.348 6.008 -0.770 1.00 0.00 C ATOM 1313 C GLU A 85 13.751 7.474 -0.645 1.00 0.00 C ATOM 1314 O GLU A 85 14.304 7.893 0.371 1.00 0.00 O ATOM 1315 CB GLU A 85 14.302 5.284 -1.722 1.00 0.00 C ATOM 1316 CG GLU A 85 13.830 5.277 -3.167 1.00 0.00 C ATOM 1317 CD GLU A 85 12.643 4.360 -3.388 1.00 0.00 C ATOM 1318 OE1 GLU A 85 12.676 3.215 -2.891 1.00 0.00 O ATOM 1319 OE2 GLU A 85 11.680 4.789 -4.058 1.00 0.00 O ATOM 0 H GLU A 85 11.845 6.093 -2.229 1.00 0.00 H new ATOM 0 HA GLU A 85 13.411 5.547 0.216 1.00 0.00 H new ATOM 0 HB2 GLU A 85 15.282 5.758 -1.671 1.00 0.00 H new ATOM 0 HB3 GLU A 85 14.428 4.255 -1.384 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.561 6.291 -3.462 1.00 0.00 H new ATOM 0 HG3 GLU A 85 14.651 4.964 -3.812 1.00 0.00 H new ATOM 1326 N GLY A 86 13.470 8.250 -1.687 1.00 0.00 N ATOM 1327 CA GLY A 86 13.811 9.661 -1.675 1.00 0.00 C ATOM 1328 C GLY A 86 14.283 10.155 -3.028 1.00 0.00 C ATOM 1329 O GLY A 86 13.562 10.875 -3.719 1.00 0.00 O ATOM 0 H GLY A 86 13.012 7.927 -2.539 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.941 10.239 -1.364 1.00 0.00 H new ATOM 0 HA3 GLY A 86 14.592 9.837 -0.935 1.00 0.00 H new ATOM 1333 N GLU A 87 15.497 9.769 -3.407 1.00 0.00 N ATOM 1334 CA GLU A 87 16.065 10.180 -4.686 1.00 0.00 C ATOM 1335 C GLU A 87 15.324 9.522 -5.847 1.00 0.00 C ATOM 1336 O GLU A 87 15.253 10.074 -6.945 1.00 0.00 O ATOM 1337 CB GLU A 87 17.552 9.823 -4.748 1.00 0.00 C ATOM 1338 CG GLU A 87 17.827 8.336 -4.594 1.00 0.00 C ATOM 1339 CD GLU A 87 19.307 8.010 -4.641 1.00 0.00 C ATOM 1340 OE1 GLU A 87 19.913 8.153 -5.724 1.00 0.00 O ATOM 1341 OE2 GLU A 87 19.860 7.610 -3.595 1.00 0.00 O ATOM 0 H GLU A 87 16.106 9.173 -2.847 1.00 0.00 H new ATOM 0 HA GLU A 87 15.955 11.261 -4.773 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.959 10.163 -5.700 1.00 0.00 H new ATOM 0 HB3 GLU A 87 18.080 10.365 -3.964 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.412 7.989 -3.648 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.313 7.791 -5.386 1.00 0.00 H new ATOM 1348 N VAL A 88 14.773 8.339 -5.595 1.00 0.00 N ATOM 1349 CA VAL A 88 14.037 7.605 -6.618 1.00 0.00 C ATOM 1350 C VAL A 88 12.534 7.803 -6.461 1.00 0.00 C ATOM 1351 O VAL A 88 11.904 7.194 -5.594 1.00 0.00 O ATOM 1352 CB VAL A 88 14.355 6.099 -6.566 1.00 0.00 C ATOM 1353 CG1 VAL A 88 13.582 5.353 -7.644 1.00 0.00 C ATOM 1354 CG2 VAL A 88 15.851 5.865 -6.712 1.00 0.00 C ATOM 0 H VAL A 88 14.822 7.868 -4.691 1.00 0.00 H new ATOM 0 HA VAL A 88 14.354 8.002 -7.583 1.00 0.00 H new ATOM 0 HB VAL A 88 14.044 5.712 -5.596 1.00 0.00 H new ATOM 0 HG11 VAL A 88 13.819 4.290 -7.592 1.00 0.00 H new ATOM 0 HG12 VAL A 88 12.512 5.494 -7.488 1.00 0.00 H new ATOM 0 HG13 VAL A 88 13.860 5.739 -8.625 1.00 0.00 H new ATOM 0 HG21 VAL A 88 16.057 4.795 -6.673 1.00 0.00 H new ATOM 0 HG22 VAL A 88 16.190 6.265 -7.667 1.00 0.00 H new ATOM 0 HG23 VAL A 88 16.379 6.366 -5.900 1.00 0.00 H new ATOM 1364 N LEU A 89 11.963 8.656 -7.304 1.00 0.00 N ATOM 1365 CA LEU A 89 10.532 8.934 -7.259 1.00 0.00 C ATOM 1366 C LEU A 89 9.863 8.556 -8.577 1.00 0.00 C ATOM 1367 O LEU A 89 10.507 8.026 -9.482 1.00 0.00 O ATOM 1368 CB LEU A 89 10.289 10.414 -6.957 1.00 0.00 C ATOM 1369 CG LEU A 89 11.322 11.094 -6.057 1.00 0.00 C ATOM 1370 CD1 LEU A 89 12.444 11.692 -6.891 1.00 0.00 C ATOM 1371 CD2 LEU A 89 10.661 12.165 -5.202 1.00 0.00 C ATOM 0 H LEU A 89 12.469 9.167 -8.027 1.00 0.00 H new ATOM 0 HA LEU A 89 10.094 8.331 -6.464 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.248 10.955 -7.902 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.309 10.513 -6.490 1.00 0.00 H new ATOM 0 HG LEU A 89 11.751 10.342 -5.394 1.00 0.00 H new ATOM 0 HD11 LEU A 89 13.170 12.172 -6.234 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.935 10.902 -7.459 1.00 0.00 H new ATOM 0 HD13 LEU A 89 12.032 12.431 -7.578 1.00 0.00 H new ATOM 0 HD21 LEU A 89 11.411 12.638 -4.568 1.00 0.00 H new ATOM 0 HD22 LEU A 89 10.205 12.916 -5.847 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.893 11.709 -4.577 1.00 0.00 H new ATOM 1383 N PHE A 90 8.567 8.835 -8.678 1.00 0.00 N ATOM 1384 CA PHE A 90 7.811 8.525 -9.885 1.00 0.00 C ATOM 1385 C PHE A 90 6.651 9.500 -10.065 1.00 0.00 C ATOM 1386 O PHE A 90 5.720 9.530 -9.260 1.00 0.00 O ATOM 1387 CB PHE A 90 7.282 7.090 -9.827 1.00 0.00 C ATOM 1388 CG PHE A 90 8.366 6.056 -9.714 1.00 0.00 C ATOM 1389 CD1 PHE A 90 8.819 5.642 -8.472 1.00 0.00 C ATOM 1390 CD2 PHE A 90 8.930 5.498 -10.850 1.00 0.00 C ATOM 1391 CE1 PHE A 90 9.817 4.691 -8.366 1.00 0.00 C ATOM 1392 CE2 PHE A 90 9.928 4.547 -10.750 1.00 0.00 C ATOM 1393 CZ PHE A 90 10.371 4.142 -9.506 1.00 0.00 C ATOM 0 H PHE A 90 8.019 9.275 -7.938 1.00 0.00 H new ATOM 0 HA PHE A 90 8.481 8.623 -10.739 1.00 0.00 H new ATOM 0 HB2 PHE A 90 6.609 6.994 -8.975 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.693 6.892 -10.723 1.00 0.00 H new ATOM 0 HD1 PHE A 90 8.388 6.067 -7.577 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.586 5.810 -11.825 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.163 4.378 -7.392 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.361 4.121 -11.643 1.00 0.00 H new ATOM 0 HZ PHE A 90 11.149 3.397 -9.425 1.00 0.00 H new ATOM 1403 N VAL A 91 6.714 10.296 -11.128 1.00 0.00 N ATOM 1404 CA VAL A 91 5.669 11.272 -11.415 1.00 0.00 C ATOM 1405 C VAL A 91 4.299 10.749 -10.998 1.00 0.00 C ATOM 1406 O VAL A 91 3.448 11.508 -10.534 1.00 0.00 O ATOM 1407 CB VAL A 91 5.635 11.633 -12.911 1.00 0.00 C ATOM 1408 CG1 VAL A 91 4.859 10.587 -13.696 1.00 0.00 C ATOM 1409 CG2 VAL A 91 5.033 13.016 -13.111 1.00 0.00 C ATOM 0 H VAL A 91 7.477 10.284 -11.804 1.00 0.00 H new ATOM 0 HA VAL A 91 5.904 12.167 -10.838 1.00 0.00 H new ATOM 0 HB VAL A 91 6.658 11.649 -13.286 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.846 10.860 -14.751 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.337 9.615 -13.578 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.836 10.536 -13.322 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.017 13.255 -14.174 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.016 13.030 -12.720 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.635 13.755 -12.582 1.00 0.00 H new ATOM 1419 N SER A 92 4.092 9.447 -11.166 1.00 0.00 N ATOM 1420 CA SER A 92 2.824 8.822 -10.811 1.00 0.00 C ATOM 1421 C SER A 92 3.044 7.407 -10.285 1.00 0.00 C ATOM 1422 O SER A 92 4.097 6.808 -10.503 1.00 0.00 O ATOM 1423 CB SER A 92 1.890 8.789 -12.022 1.00 0.00 C ATOM 1424 OG SER A 92 1.471 10.095 -12.380 1.00 0.00 O ATOM 0 H SER A 92 4.787 8.804 -11.546 1.00 0.00 H new ATOM 0 HA SER A 92 2.363 9.416 -10.022 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.400 8.323 -12.866 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.019 8.173 -11.797 1.00 0.00 H new ATOM 0 HG SER A 92 0.877 10.046 -13.158 1.00 0.00 H new ATOM 1430 N VAL A 93 2.041 6.878 -9.590 1.00 0.00 N ATOM 1431 CA VAL A 93 2.123 5.533 -9.033 1.00 0.00 C ATOM 1432 C VAL A 93 2.369 4.499 -10.127 1.00 0.00 C ATOM 1433 O VAL A 93 3.207 3.611 -9.980 1.00 0.00 O ATOM 1434 CB VAL A 93 0.838 5.162 -8.271 1.00 0.00 C ATOM 1435 CG1 VAL A 93 0.927 3.743 -7.731 1.00 0.00 C ATOM 1436 CG2 VAL A 93 0.581 6.154 -7.146 1.00 0.00 C ATOM 0 H VAL A 93 1.163 7.361 -9.400 1.00 0.00 H new ATOM 0 HA VAL A 93 2.963 5.529 -8.338 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.001 5.208 -8.965 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.009 3.499 -7.196 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.060 3.046 -8.559 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.775 3.665 -7.051 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.331 5.877 -6.618 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.421 6.142 -6.451 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.469 7.155 -7.562 1.00 0.00 H new ATOM 1446 N GLY A 94 1.630 4.622 -11.226 1.00 0.00 N ATOM 1447 CA GLY A 94 1.782 3.692 -12.329 1.00 0.00 C ATOM 1448 C GLY A 94 3.235 3.445 -12.683 1.00 0.00 C ATOM 1449 O GLY A 94 3.746 2.339 -12.502 1.00 0.00 O ATOM 0 H GLY A 94 0.929 5.349 -11.371 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.308 2.745 -12.070 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.259 4.081 -13.203 1.00 0.00 H new ATOM 1453 N SER A 95 3.903 4.476 -13.191 1.00 0.00 N ATOM 1454 CA SER A 95 5.305 4.364 -13.576 1.00 0.00 C ATOM 1455 C SER A 95 6.103 3.618 -12.512 1.00 0.00 C ATOM 1456 O SER A 95 6.902 2.736 -12.824 1.00 0.00 O ATOM 1457 CB SER A 95 5.906 5.753 -13.801 1.00 0.00 C ATOM 1458 OG SER A 95 5.720 6.179 -15.140 1.00 0.00 O ATOM 0 H SER A 95 3.496 5.398 -13.345 1.00 0.00 H new ATOM 0 HA SER A 95 5.357 3.798 -14.506 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.442 6.468 -13.121 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.970 5.734 -13.567 1.00 0.00 H new ATOM 0 HG SER A 95 6.111 7.070 -15.257 1.00 0.00 H new ATOM 1464 N MET A 96 5.880 3.979 -11.252 1.00 0.00 N ATOM 1465 CA MET A 96 6.577 3.344 -10.140 1.00 0.00 C ATOM 1466 C MET A 96 6.380 1.831 -10.168 1.00 0.00 C ATOM 1467 O MET A 96 7.346 1.070 -10.214 1.00 0.00 O ATOM 1468 CB MET A 96 6.081 3.910 -8.808 1.00 0.00 C ATOM 1469 CG MET A 96 6.795 3.331 -7.598 1.00 0.00 C ATOM 1470 SD MET A 96 6.435 4.236 -6.081 1.00 0.00 S ATOM 1471 CE MET A 96 4.697 3.861 -5.867 1.00 0.00 C ATOM 0 H MET A 96 5.222 4.708 -10.976 1.00 0.00 H new ATOM 0 HA MET A 96 7.641 3.556 -10.242 1.00 0.00 H new ATOM 0 HB2 MET A 96 6.210 4.992 -8.812 1.00 0.00 H new ATOM 0 HB3 MET A 96 5.012 3.717 -8.716 1.00 0.00 H new ATOM 0 HG2 MET A 96 6.502 2.288 -7.473 1.00 0.00 H new ATOM 0 HG3 MET A 96 7.870 3.341 -7.776 1.00 0.00 H new ATOM 0 HE1 MET A 96 4.362 4.231 -4.898 1.00 0.00 H new ATOM 0 HE2 MET A 96 4.121 4.342 -6.658 1.00 0.00 H new ATOM 0 HE3 MET A 96 4.549 2.782 -5.915 1.00 0.00 H new ATOM 1481 N VAL A 97 5.122 1.402 -10.140 1.00 0.00 N ATOM 1482 CA VAL A 97 4.799 -0.019 -10.163 1.00 0.00 C ATOM 1483 C VAL A 97 5.545 -0.735 -11.284 1.00 0.00 C ATOM 1484 O VAL A 97 6.098 -1.815 -11.083 1.00 0.00 O ATOM 1485 CB VAL A 97 3.286 -0.248 -10.342 1.00 0.00 C ATOM 1486 CG1 VAL A 97 2.957 -1.731 -10.268 1.00 0.00 C ATOM 1487 CG2 VAL A 97 2.503 0.533 -9.297 1.00 0.00 C ATOM 0 H VAL A 97 4.310 2.019 -10.101 1.00 0.00 H new ATOM 0 HA VAL A 97 5.111 -0.429 -9.203 1.00 0.00 H new ATOM 0 HB VAL A 97 2.995 0.115 -11.328 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.884 -1.872 -10.397 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.490 -2.262 -11.057 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.261 -2.123 -9.297 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.436 0.360 -9.438 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.796 0.202 -8.301 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.715 1.597 -9.403 1.00 0.00 H new ATOM 1497 N GLU A 98 5.556 -0.124 -12.464 1.00 0.00 N ATOM 1498 CA GLU A 98 6.235 -0.704 -13.617 1.00 0.00 C ATOM 1499 C GLU A 98 7.741 -0.775 -13.383 1.00 0.00 C ATOM 1500 O GLU A 98 8.425 -1.644 -13.925 1.00 0.00 O ATOM 1501 CB GLU A 98 5.942 0.116 -14.875 1.00 0.00 C ATOM 1502 CG GLU A 98 4.584 0.799 -14.855 1.00 0.00 C ATOM 1503 CD GLU A 98 3.994 0.965 -16.241 1.00 0.00 C ATOM 1504 OE1 GLU A 98 4.721 1.434 -17.142 1.00 0.00 O ATOM 1505 OE2 GLU A 98 2.806 0.628 -16.426 1.00 0.00 O ATOM 0 H GLU A 98 5.103 0.771 -12.647 1.00 0.00 H new ATOM 0 HA GLU A 98 5.858 -1.717 -13.756 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.718 0.872 -14.994 1.00 0.00 H new ATOM 0 HB3 GLU A 98 5.998 -0.538 -15.746 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.898 0.217 -14.240 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.681 1.778 -14.386 1.00 0.00 H new ATOM 1512 N HIS A 99 8.252 0.146 -12.572 1.00 0.00 N ATOM 1513 CA HIS A 99 9.677 0.189 -12.265 1.00 0.00 C ATOM 1514 C HIS A 99 10.065 -0.949 -11.326 1.00 0.00 C ATOM 1515 O HIS A 99 11.069 -1.630 -11.540 1.00 0.00 O ATOM 1516 CB HIS A 99 10.045 1.533 -11.635 1.00 0.00 C ATOM 1517 CG HIS A 99 11.410 1.552 -11.019 1.00 0.00 C ATOM 1518 ND1 HIS A 99 11.893 0.930 -9.918 1.00 0.00 N flip ATOM 1519 CD2 HIS A 99 12.461 2.277 -11.539 1.00 0.00 C flip ATOM 1520 CE1 HIS A 99 13.213 1.287 -9.795 1.00 0.00 C flip ATOM 1521 NE2 HIS A 99 13.531 2.100 -10.786 1.00 0.00 N flip ATOM 0 H HIS A 99 7.700 0.872 -12.116 1.00 0.00 H new ATOM 0 HA HIS A 99 10.228 0.071 -13.198 1.00 0.00 H new ATOM 0 HB2 HIS A 99 9.989 2.310 -12.397 1.00 0.00 H new ATOM 0 HB3 HIS A 99 9.307 1.781 -10.872 1.00 0.00 H new ATOM 0 HD1 HIS A 99 11.373 0.311 -9.296 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.416 2.894 -12.424 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.883 0.957 -9.015 1.00 0.00 H new ATOM 1530 N TYR A 100 9.264 -1.150 -10.285 1.00 0.00 N ATOM 1531 CA TYR A 100 9.526 -2.203 -9.312 1.00 0.00 C ATOM 1532 C TYR A 100 9.341 -3.582 -9.938 1.00 0.00 C ATOM 1533 O TYR A 100 9.985 -4.551 -9.535 1.00 0.00 O ATOM 1534 CB TYR A 100 8.600 -2.051 -8.104 1.00 0.00 C ATOM 1535 CG TYR A 100 8.836 -0.783 -7.315 1.00 0.00 C ATOM 1536 CD1 TYR A 100 10.125 -0.319 -7.079 1.00 0.00 C ATOM 1537 CD2 TYR A 100 7.772 -0.050 -6.805 1.00 0.00 C ATOM 1538 CE1 TYR A 100 10.346 0.839 -6.359 1.00 0.00 C ATOM 1539 CE2 TYR A 100 7.984 1.109 -6.084 1.00 0.00 C ATOM 1540 CZ TYR A 100 9.272 1.550 -5.864 1.00 0.00 C ATOM 1541 OH TYR A 100 9.487 2.703 -5.145 1.00 0.00 O ATOM 0 H TYR A 100 8.428 -0.597 -10.094 1.00 0.00 H new ATOM 0 HA TYR A 100 10.561 -2.109 -8.983 1.00 0.00 H new ATOM 0 HB2 TYR A 100 7.565 -2.069 -8.446 1.00 0.00 H new ATOM 0 HB3 TYR A 100 8.733 -2.909 -7.445 1.00 0.00 H new ATOM 0 HD1 TYR A 100 10.968 -0.873 -7.465 1.00 0.00 H new ATOM 0 HD2 TYR A 100 6.762 -0.392 -6.975 1.00 0.00 H new ATOM 0 HE1 TYR A 100 11.354 1.186 -6.184 1.00 0.00 H new ATOM 0 HE2 TYR A 100 7.145 1.667 -5.695 1.00 0.00 H new ATOM 0 HH TYR A 100 8.719 3.302 -5.251 1.00 0.00 H new ATOM 1551 N HIS A 101 8.456 -3.662 -10.927 1.00 0.00 N ATOM 1552 CA HIS A 101 8.186 -4.921 -11.611 1.00 0.00 C ATOM 1553 C HIS A 101 9.482 -5.679 -11.886 1.00 0.00 C ATOM 1554 O HIS A 101 9.484 -6.905 -12.001 1.00 0.00 O ATOM 1555 CB HIS A 101 7.445 -4.664 -12.924 1.00 0.00 C ATOM 1556 CG HIS A 101 5.954 -4.663 -12.779 1.00 0.00 C ATOM 1557 ND1 HIS A 101 5.095 -4.864 -13.838 1.00 0.00 N ATOM 1558 CD2 HIS A 101 5.170 -4.485 -11.689 1.00 0.00 C ATOM 1559 CE1 HIS A 101 3.847 -4.808 -13.407 1.00 0.00 C ATOM 1560 NE2 HIS A 101 3.865 -4.580 -12.106 1.00 0.00 N ATOM 0 H HIS A 101 7.914 -2.870 -11.272 1.00 0.00 H new ATOM 0 HA HIS A 101 7.559 -5.531 -10.961 1.00 0.00 H new ATOM 0 HB2 HIS A 101 7.763 -3.704 -13.329 1.00 0.00 H new ATOM 0 HB3 HIS A 101 7.731 -5.426 -13.649 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.508 -4.302 -10.680 1.00 0.00 H new ATOM 0 HE1 HIS A 101 2.963 -4.928 -14.015 1.00 0.00 H new ATOM 0 HE2 HIS A 101 3.043 -4.489 -11.508 1.00 0.00 H new ATOM 1569 N THR A 102 10.583 -4.941 -11.990 1.00 0.00 N ATOM 1570 CA THR A 102 11.884 -5.543 -12.253 1.00 0.00 C ATOM 1571 C THR A 102 12.856 -5.272 -11.111 1.00 0.00 C ATOM 1572 O THR A 102 13.776 -6.052 -10.866 1.00 0.00 O ATOM 1573 CB THR A 102 12.492 -5.015 -13.566 1.00 0.00 C ATOM 1574 OG1 THR A 102 13.921 -5.011 -13.477 1.00 0.00 O ATOM 1575 CG2 THR A 102 11.994 -3.610 -13.866 1.00 0.00 C ATOM 0 H THR A 102 10.599 -3.925 -11.896 1.00 0.00 H new ATOM 0 HA THR A 102 11.723 -6.617 -12.342 1.00 0.00 H new ATOM 0 HB THR A 102 12.181 -5.675 -14.376 1.00 0.00 H new ATOM 0 HG1 THR A 102 14.300 -4.675 -14.316 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.437 -3.258 -14.798 1.00 0.00 H new ATOM 0 HG22 THR A 102 10.908 -3.622 -13.962 1.00 0.00 H new ATOM 0 HG23 THR A 102 12.279 -2.942 -13.054 1.00 0.00 H new ATOM 1583 N HIS A 103 12.645 -4.160 -10.412 1.00 0.00 N ATOM 1584 CA HIS A 103 13.503 -3.787 -9.293 1.00 0.00 C ATOM 1585 C HIS A 103 12.798 -4.031 -7.963 1.00 0.00 C ATOM 1586 O HIS A 103 11.997 -3.212 -7.513 1.00 0.00 O ATOM 1587 CB HIS A 103 13.912 -2.317 -9.405 1.00 0.00 C ATOM 1588 CG HIS A 103 15.062 -2.084 -10.335 1.00 0.00 C ATOM 1589 ND1 HIS A 103 16.071 -1.182 -10.073 1.00 0.00 N ATOM 1590 CD2 HIS A 103 15.361 -2.644 -11.531 1.00 0.00 C ATOM 1591 CE1 HIS A 103 16.940 -1.195 -11.068 1.00 0.00 C ATOM 1592 NE2 HIS A 103 16.532 -2.075 -11.966 1.00 0.00 N ATOM 0 H HIS A 103 11.888 -3.503 -10.601 1.00 0.00 H new ATOM 0 HA HIS A 103 14.397 -4.409 -9.329 1.00 0.00 H new ATOM 0 HB2 HIS A 103 13.056 -1.735 -9.747 1.00 0.00 H new ATOM 0 HB3 HIS A 103 14.175 -1.945 -8.415 1.00 0.00 H new ATOM 0 HD2 HIS A 103 14.785 -3.398 -12.047 1.00 0.00 H new ATOM 0 HE1 HIS A 103 17.832 -0.590 -11.136 1.00 0.00 H new ATOM 0 HE2 HIS A 103 17.010 -2.295 -12.840 1.00 0.00 H new ATOM 1601 N VAL A 104 13.101 -5.165 -7.337 1.00 0.00 N ATOM 1602 CA VAL A 104 12.496 -5.517 -6.058 1.00 0.00 C ATOM 1603 C VAL A 104 12.456 -4.316 -5.120 1.00 0.00 C ATOM 1604 O VAL A 104 13.340 -3.459 -5.152 1.00 0.00 O ATOM 1605 CB VAL A 104 13.262 -6.665 -5.373 1.00 0.00 C ATOM 1606 CG1 VAL A 104 14.758 -6.522 -5.605 1.00 0.00 C ATOM 1607 CG2 VAL A 104 12.946 -6.702 -3.886 1.00 0.00 C ATOM 0 H VAL A 104 13.762 -5.855 -7.695 1.00 0.00 H new ATOM 0 HA VAL A 104 11.478 -5.844 -6.268 1.00 0.00 H new ATOM 0 HB VAL A 104 12.939 -7.608 -5.814 1.00 0.00 H new ATOM 0 HG11 VAL A 104 15.282 -7.342 -5.114 1.00 0.00 H new ATOM 0 HG12 VAL A 104 14.964 -6.549 -6.675 1.00 0.00 H new ATOM 0 HG13 VAL A 104 15.101 -5.573 -5.193 1.00 0.00 H new ATOM 0 HG21 VAL A 104 13.495 -7.519 -3.418 1.00 0.00 H new ATOM 0 HG22 VAL A 104 13.240 -5.757 -3.428 1.00 0.00 H new ATOM 0 HG23 VAL A 104 11.876 -6.856 -3.745 1.00 0.00 H new ATOM 1617 N LEU A 105 11.426 -4.260 -4.284 1.00 0.00 N ATOM 1618 CA LEU A 105 11.270 -3.164 -3.334 1.00 0.00 C ATOM 1619 C LEU A 105 12.338 -3.228 -2.248 1.00 0.00 C ATOM 1620 O LEU A 105 12.880 -4.289 -1.937 1.00 0.00 O ATOM 1621 CB LEU A 105 9.878 -3.206 -2.700 1.00 0.00 C ATOM 1622 CG LEU A 105 8.719 -3.528 -3.644 1.00 0.00 C ATOM 1623 CD1 LEU A 105 7.490 -3.953 -2.856 1.00 0.00 C ATOM 1624 CD2 LEU A 105 8.402 -2.329 -4.526 1.00 0.00 C ATOM 0 H LEU A 105 10.686 -4.961 -4.244 1.00 0.00 H new ATOM 0 HA LEU A 105 11.387 -2.226 -3.877 1.00 0.00 H new ATOM 0 HB2 LEU A 105 9.887 -3.948 -1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.683 -2.240 -2.235 1.00 0.00 H new ATOM 0 HG LEU A 105 9.017 -4.357 -4.285 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.676 -4.178 -3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 105 7.724 -4.841 -2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.188 -3.145 -2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.575 -2.576 -5.192 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.124 -1.481 -3.901 1.00 0.00 H new ATOM 0 HD23 LEU A 105 9.280 -2.071 -5.118 1.00 0.00 H new ATOM 1636 N PRO A 106 12.649 -2.067 -1.653 1.00 0.00 N ATOM 1637 CA PRO A 106 13.653 -1.965 -0.590 1.00 0.00 C ATOM 1638 C PRO A 106 13.191 -2.619 0.708 1.00 0.00 C ATOM 1639 O PRO A 106 11.993 -2.742 0.960 1.00 0.00 O ATOM 1640 CB PRO A 106 13.817 -0.455 -0.400 1.00 0.00 C ATOM 1641 CG PRO A 106 12.525 0.127 -0.860 1.00 0.00 C ATOM 1642 CD PRO A 106 12.043 -0.763 -1.973 1.00 0.00 C ATOM 0 HA PRO A 106 14.578 -2.478 -0.853 1.00 0.00 H new ATOM 0 HB2 PRO A 106 14.014 -0.206 0.643 1.00 0.00 H new ATOM 0 HB3 PRO A 106 14.654 -0.071 -0.983 1.00 0.00 H new ATOM 0 HG2 PRO A 106 11.801 0.161 -0.046 1.00 0.00 H new ATOM 0 HG3 PRO A 106 12.660 1.151 -1.210 1.00 0.00 H new ATOM 0 HD2 PRO A 106 10.955 -0.821 -1.999 1.00 0.00 H new ATOM 0 HD3 PRO A 106 12.366 -0.398 -2.948 1.00 0.00 H new ATOM 1650 N SER A 107 14.150 -3.035 1.529 1.00 0.00 N ATOM 1651 CA SER A 107 13.841 -3.679 2.800 1.00 0.00 C ATOM 1652 C SER A 107 13.323 -5.098 2.579 1.00 0.00 C ATOM 1653 O SER A 107 12.595 -5.642 3.410 1.00 0.00 O ATOM 1654 CB SER A 107 12.804 -2.861 3.572 1.00 0.00 C ATOM 1655 OG SER A 107 13.112 -1.478 3.531 1.00 0.00 O ATOM 0 H SER A 107 15.147 -2.938 1.337 1.00 0.00 H new ATOM 0 HA SER A 107 14.760 -3.733 3.384 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.814 -3.029 3.147 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.768 -3.198 4.608 1.00 0.00 H new ATOM 0 HG SER A 107 12.434 -0.977 4.030 1.00 0.00 H new ATOM 1661 N HIS A 108 13.705 -5.691 1.452 1.00 0.00 N ATOM 1662 CA HIS A 108 13.281 -7.046 1.120 1.00 0.00 C ATOM 1663 C HIS A 108 14.287 -7.719 0.192 1.00 0.00 C ATOM 1664 O HIS A 108 15.203 -7.073 -0.317 1.00 0.00 O ATOM 1665 CB HIS A 108 11.899 -7.025 0.465 1.00 0.00 C ATOM 1666 CG HIS A 108 11.092 -8.259 0.729 1.00 0.00 C ATOM 1667 ND1 HIS A 108 11.211 -9.410 -0.020 1.00 0.00 N ATOM 1668 CD2 HIS A 108 10.152 -8.517 1.668 1.00 0.00 C ATOM 1669 CE1 HIS A 108 10.377 -10.323 0.445 1.00 0.00 C ATOM 1670 NE2 HIS A 108 9.723 -9.807 1.470 1.00 0.00 N ATOM 0 H HIS A 108 14.307 -5.254 0.754 1.00 0.00 H new ATOM 0 HA HIS A 108 13.227 -7.620 2.045 1.00 0.00 H new ATOM 0 HB2 HIS A 108 11.348 -6.156 0.826 1.00 0.00 H new ATOM 0 HB3 HIS A 108 12.018 -6.902 -0.611 1.00 0.00 H new ATOM 0 HD2 HIS A 108 9.804 -7.836 2.431 1.00 0.00 H new ATOM 0 HE1 HIS A 108 10.251 -11.322 0.054 1.00 0.00 H new ATOM 0 HE2 HIS A 108 9.015 -10.288 2.024 1.00 0.00 H new ATOM 1679 N GLN A 109 14.110 -9.018 -0.024 1.00 0.00 N ATOM 1680 CA GLN A 109 15.004 -9.777 -0.890 1.00 0.00 C ATOM 1681 C GLN A 109 14.648 -9.567 -2.358 1.00 0.00 C ATOM 1682 O GLN A 109 15.325 -8.828 -3.072 1.00 0.00 O ATOM 1683 CB GLN A 109 14.941 -11.266 -0.546 1.00 0.00 C ATOM 1684 CG GLN A 109 13.615 -11.693 0.063 1.00 0.00 C ATOM 1685 CD GLN A 109 13.593 -11.550 1.572 1.00 0.00 C ATOM 1686 OE1 GLN A 109 13.355 -10.464 2.101 1.00 0.00 O ATOM 1687 NE2 GLN A 109 13.840 -12.649 2.275 1.00 0.00 N ATOM 0 H GLN A 109 13.356 -9.567 0.389 1.00 0.00 H new ATOM 0 HA GLN A 109 16.019 -9.417 -0.726 1.00 0.00 H new ATOM 0 HB2 GLN A 109 15.120 -11.847 -1.450 1.00 0.00 H new ATOM 0 HB3 GLN A 109 15.745 -11.504 0.151 1.00 0.00 H new ATOM 0 HG2 GLN A 109 12.812 -11.094 -0.367 1.00 0.00 H new ATOM 0 HG3 GLN A 109 13.415 -12.731 -0.203 1.00 0.00 H new ATOM 0 HE21 GLN A 109 14.032 -13.529 1.796 1.00 0.00 H new ATOM 0 HE22 GLN A 109 13.837 -12.614 3.294 1.00 0.00 H new ATOM 1696 N SER A 110 13.580 -10.223 -2.802 1.00 0.00 N ATOM 1697 CA SER A 110 13.136 -10.111 -4.187 1.00 0.00 C ATOM 1698 C SER A 110 11.624 -9.919 -4.258 1.00 0.00 C ATOM 1699 O SER A 110 10.943 -10.555 -5.064 1.00 0.00 O ATOM 1700 CB SER A 110 13.541 -11.358 -4.977 1.00 0.00 C ATOM 1701 OG SER A 110 13.598 -11.084 -6.366 1.00 0.00 O ATOM 0 H SER A 110 13.007 -10.837 -2.223 1.00 0.00 H new ATOM 0 HA SER A 110 13.617 -9.238 -4.628 1.00 0.00 H new ATOM 0 HB2 SER A 110 14.513 -11.711 -4.632 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.826 -12.159 -4.790 1.00 0.00 H new ATOM 0 HG SER A 110 13.860 -11.895 -6.849 1.00 0.00 H new ATOM 1707 N LEU A 111 11.105 -9.038 -3.410 1.00 0.00 N ATOM 1708 CA LEU A 111 9.673 -8.761 -3.376 1.00 0.00 C ATOM 1709 C LEU A 111 9.282 -7.782 -4.478 1.00 0.00 C ATOM 1710 O LEU A 111 9.596 -6.593 -4.408 1.00 0.00 O ATOM 1711 CB LEU A 111 9.276 -8.195 -2.011 1.00 0.00 C ATOM 1712 CG LEU A 111 7.870 -7.603 -1.914 1.00 0.00 C ATOM 1713 CD1 LEU A 111 6.824 -8.651 -2.257 1.00 0.00 C ATOM 1714 CD2 LEU A 111 7.625 -7.037 -0.522 1.00 0.00 C ATOM 0 H LEU A 111 11.654 -8.503 -2.737 1.00 0.00 H new ATOM 0 HA LEU A 111 9.142 -9.698 -3.543 1.00 0.00 H new ATOM 0 HB2 LEU A 111 9.366 -8.990 -1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 111 9.994 -7.422 -1.738 1.00 0.00 H new ATOM 0 HG LEU A 111 7.789 -6.790 -2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 111 5.830 -8.211 -2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 111 6.987 -9.009 -3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 111 6.904 -9.486 -1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.619 -6.620 -0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.726 -7.832 0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.354 -6.254 -0.314 1.00 0.00 H new ATOM 1726 N LEU A 112 8.592 -8.289 -5.494 1.00 0.00 N ATOM 1727 CA LEU A 112 8.155 -7.459 -6.611 1.00 0.00 C ATOM 1728 C LEU A 112 6.633 -7.444 -6.716 1.00 0.00 C ATOM 1729 O LEU A 112 5.949 -8.252 -6.086 1.00 0.00 O ATOM 1730 CB LEU A 112 8.762 -7.968 -7.920 1.00 0.00 C ATOM 1731 CG LEU A 112 10.260 -8.276 -7.889 1.00 0.00 C ATOM 1732 CD1 LEU A 112 10.583 -9.449 -8.802 1.00 0.00 C ATOM 1733 CD2 LEU A 112 11.065 -7.048 -8.290 1.00 0.00 C ATOM 0 H LEU A 112 8.323 -9.270 -5.567 1.00 0.00 H new ATOM 0 HA LEU A 112 8.499 -6.441 -6.430 1.00 0.00 H new ATOM 0 HB2 LEU A 112 8.231 -8.873 -8.216 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.580 -7.224 -8.695 1.00 0.00 H new ATOM 0 HG LEU A 112 10.534 -8.549 -6.870 1.00 0.00 H new ATOM 0 HD11 LEU A 112 11.653 -9.653 -8.767 1.00 0.00 H new ATOM 0 HD12 LEU A 112 10.034 -10.330 -8.470 1.00 0.00 H new ATOM 0 HD13 LEU A 112 10.294 -9.205 -9.824 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.129 -7.285 -8.262 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.787 -6.744 -9.299 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.857 -6.234 -7.596 1.00 0.00 H new ATOM 1745 N LEU A 113 6.109 -6.523 -7.517 1.00 0.00 N ATOM 1746 CA LEU A 113 4.668 -6.405 -7.706 1.00 0.00 C ATOM 1747 C LEU A 113 4.202 -7.253 -8.885 1.00 0.00 C ATOM 1748 O LEU A 113 4.388 -6.879 -10.043 1.00 0.00 O ATOM 1749 CB LEU A 113 4.281 -4.942 -7.932 1.00 0.00 C ATOM 1750 CG LEU A 113 4.902 -3.928 -6.970 1.00 0.00 C ATOM 1751 CD1 LEU A 113 4.576 -2.508 -7.407 1.00 0.00 C ATOM 1752 CD2 LEU A 113 4.415 -4.174 -5.549 1.00 0.00 C ATOM 0 H LEU A 113 6.660 -5.847 -8.046 1.00 0.00 H new ATOM 0 HA LEU A 113 4.178 -6.769 -6.803 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.560 -4.666 -8.949 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.196 -4.859 -7.865 1.00 0.00 H new ATOM 0 HG LEU A 113 5.985 -4.053 -6.990 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.026 -1.801 -6.711 1.00 0.00 H new ATOM 0 HD12 LEU A 113 4.973 -2.335 -8.407 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.495 -2.369 -7.417 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.867 -3.444 -4.878 1.00 0.00 H new ATOM 0 HD22 LEU A 113 3.330 -4.076 -5.514 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.699 -5.179 -5.236 1.00 0.00 H new ATOM 1764 N ARG A 114 3.593 -8.395 -8.582 1.00 0.00 N ATOM 1765 CA ARG A 114 3.100 -9.296 -9.617 1.00 0.00 C ATOM 1766 C ARG A 114 1.617 -9.057 -9.883 1.00 0.00 C ATOM 1767 O ARG A 114 1.223 -8.713 -10.998 1.00 0.00 O ATOM 1768 CB ARG A 114 3.327 -10.752 -9.206 1.00 0.00 C ATOM 1769 CG ARG A 114 4.795 -11.129 -9.088 1.00 0.00 C ATOM 1770 CD ARG A 114 5.012 -12.197 -8.027 1.00 0.00 C ATOM 1771 NE ARG A 114 6.410 -12.283 -7.615 1.00 0.00 N ATOM 1772 CZ ARG A 114 6.929 -13.335 -6.990 1.00 0.00 C ATOM 1773 NH1 ARG A 114 6.168 -14.383 -6.707 1.00 0.00 N ATOM 1774 NH2 ARG A 114 8.211 -13.338 -6.648 1.00 0.00 N ATOM 0 H ARG A 114 3.429 -8.718 -7.628 1.00 0.00 H new ATOM 0 HA ARG A 114 3.654 -9.094 -10.534 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.836 -10.932 -8.249 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.850 -11.406 -9.936 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.157 -11.491 -10.050 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.380 -10.244 -8.840 1.00 0.00 H new ATOM 0 HD2 ARG A 114 4.391 -11.977 -7.159 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.688 -13.163 -8.414 1.00 0.00 H new ATOM 0 HE ARG A 114 7.022 -11.493 -7.818 1.00 0.00 H new ATOM 0 HH11 ARG A 114 5.182 -14.383 -6.969 1.00 0.00 H new ATOM 0 HH12 ARG A 114 6.568 -15.189 -6.227 1.00 0.00 H new ATOM 0 HH21 ARG A 114 8.799 -12.533 -6.865 1.00 0.00 H new ATOM 0 HH22 ARG A 114 8.609 -14.145 -6.168 1.00 0.00 H new ATOM 1788 N HIS A 115 0.798 -9.242 -8.852 1.00 0.00 N ATOM 1789 CA HIS A 115 -0.642 -9.046 -8.975 1.00 0.00 C ATOM 1790 C HIS A 115 -1.155 -8.094 -7.898 1.00 0.00 C ATOM 1791 O HIS A 115 -0.814 -8.208 -6.721 1.00 0.00 O ATOM 1792 CB HIS A 115 -1.371 -10.387 -8.876 1.00 0.00 C ATOM 1793 CG HIS A 115 -0.574 -11.541 -9.402 1.00 0.00 C ATOM 1794 ND1 HIS A 115 -0.338 -11.742 -10.746 1.00 0.00 N ATOM 1795 CD2 HIS A 115 0.042 -12.559 -8.757 1.00 0.00 C ATOM 1796 CE1 HIS A 115 0.389 -12.834 -10.904 1.00 0.00 C ATOM 1797 NE2 HIS A 115 0.633 -13.348 -9.713 1.00 0.00 N ATOM 0 H HIS A 115 1.107 -9.527 -7.923 1.00 0.00 H new ATOM 0 HA HIS A 115 -0.841 -8.604 -9.951 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -1.626 -10.577 -7.833 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -2.309 -10.323 -9.427 1.00 0.00 H new ATOM 0 HD2 HIS A 115 0.065 -12.721 -7.689 1.00 0.00 H new ATOM 0 HE1 HIS A 115 0.726 -13.237 -11.847 1.00 0.00 H new ATOM 0 HE2 HIS A 115 1.173 -14.194 -9.532 1.00 0.00 H new ATOM 1806 N PRO A 116 -1.994 -7.132 -8.309 1.00 0.00 N ATOM 1807 CA PRO A 116 -2.572 -6.142 -7.395 1.00 0.00 C ATOM 1808 C PRO A 116 -3.589 -6.758 -6.441 1.00 0.00 C ATOM 1809 O PRO A 116 -3.858 -7.958 -6.495 1.00 0.00 O ATOM 1810 CB PRO A 116 -3.255 -5.147 -8.336 1.00 0.00 C ATOM 1811 CG PRO A 116 -3.556 -5.933 -9.565 1.00 0.00 C ATOM 1812 CD PRO A 116 -2.445 -6.937 -9.697 1.00 0.00 C ATOM 0 HA PRO A 116 -1.816 -5.691 -6.752 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -4.165 -4.743 -7.892 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -2.605 -4.301 -8.557 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.523 -6.429 -9.484 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -3.603 -5.285 -10.441 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -2.796 -7.869 -10.140 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -1.641 -6.565 -10.332 1.00 0.00 H new ATOM 1820 N TYR A 117 -4.152 -5.929 -5.568 1.00 0.00 N ATOM 1821 CA TYR A 117 -5.139 -6.393 -4.601 1.00 0.00 C ATOM 1822 C TYR A 117 -6.556 -6.187 -5.126 1.00 0.00 C ATOM 1823 O TYR A 117 -6.816 -5.265 -5.898 1.00 0.00 O ATOM 1824 CB TYR A 117 -4.964 -5.659 -3.270 1.00 0.00 C ATOM 1825 CG TYR A 117 -6.202 -5.676 -2.402 1.00 0.00 C ATOM 1826 CD1 TYR A 117 -6.767 -6.875 -1.987 1.00 0.00 C ATOM 1827 CD2 TYR A 117 -6.805 -4.492 -1.996 1.00 0.00 C ATOM 1828 CE1 TYR A 117 -7.898 -6.894 -1.194 1.00 0.00 C ATOM 1829 CE2 TYR A 117 -7.936 -4.502 -1.203 1.00 0.00 C ATOM 1830 CZ TYR A 117 -8.479 -5.706 -0.805 1.00 0.00 C ATOM 1831 OH TYR A 117 -9.605 -5.721 -0.014 1.00 0.00 O ATOM 0 H TYR A 117 -3.941 -4.933 -5.511 1.00 0.00 H new ATOM 0 HA TYR A 117 -4.982 -7.460 -4.444 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -4.139 -6.112 -2.720 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.684 -4.625 -3.469 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -6.315 -7.808 -2.289 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -6.382 -3.548 -2.306 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -8.325 -7.835 -0.880 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -8.393 -3.573 -0.896 1.00 0.00 H new ATOM 0 HH TYR A 117 -9.887 -4.801 0.171 1.00 0.00 H new ATOM 1841 N GLY A 118 -7.470 -7.053 -4.700 1.00 0.00 N ATOM 1842 CA GLY A 118 -8.850 -6.950 -5.137 1.00 0.00 C ATOM 1843 C GLY A 118 -9.070 -7.545 -6.513 1.00 0.00 C ATOM 1844 O GLY A 118 -10.022 -8.295 -6.729 1.00 0.00 O ATOM 0 H GLY A 118 -7.280 -7.824 -4.060 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -9.494 -7.457 -4.418 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -9.147 -5.901 -5.147 1.00 0.00 H new ATOM 1848 N TYR A 119 -8.188 -7.209 -7.448 1.00 0.00 N ATOM 1849 CA TYR A 119 -8.291 -7.712 -8.813 1.00 0.00 C ATOM 1850 C TYR A 119 -8.291 -9.237 -8.833 1.00 0.00 C ATOM 1851 O TYR A 119 -7.427 -9.879 -8.235 1.00 0.00 O ATOM 1852 CB TYR A 119 -7.137 -7.179 -9.664 1.00 0.00 C ATOM 1853 CG TYR A 119 -7.315 -7.423 -11.146 1.00 0.00 C ATOM 1854 CD1 TYR A 119 -7.324 -8.714 -11.661 1.00 0.00 C ATOM 1855 CD2 TYR A 119 -7.473 -6.364 -12.031 1.00 0.00 C ATOM 1856 CE1 TYR A 119 -7.485 -8.942 -13.014 1.00 0.00 C ATOM 1857 CE2 TYR A 119 -7.636 -6.583 -13.385 1.00 0.00 C ATOM 1858 CZ TYR A 119 -7.641 -7.873 -13.872 1.00 0.00 C ATOM 1859 OH TYR A 119 -7.802 -8.095 -15.220 1.00 0.00 O ATOM 0 H TYR A 119 -7.394 -6.590 -7.286 1.00 0.00 H new ATOM 0 HA TYR A 119 -9.234 -7.362 -9.232 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -7.033 -6.108 -9.490 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.209 -7.647 -9.336 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -7.203 -9.553 -10.992 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -7.468 -5.352 -11.654 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -7.489 -9.951 -13.398 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -7.759 -5.748 -14.059 1.00 0.00 H new ATOM 0 HH TYR A 119 -7.900 -7.237 -15.683 1.00 0.00 H new