USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 739 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 33 THR OG1 : rot 180:sc= 0.897 USER MOD Set 1.2: A 75 THR OG1 : rot -66:sc= 1.06 USER MOD Single : A 20 SER OG : rot 180:sc= 0.331 USER MOD Single : A 21 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.317) USER MOD Single : A 23 GLN : amide:sc=-0.00648 X(o=-0.0065,f=-0.0065) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0208 USER MOD Single : A 28 THR OG1 : rot 172:sc= -0.138 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.429 K(o=-0.43,f=-3.3!) USER MOD Single : A 31 SER OG : rot 180:sc= -0.252 USER MOD Single : A 35 SER OG : rot 180:sc=-0.00579 USER MOD Single : A 37 GLN : amide:sc= -0.0101 X(o=-0.01,f=-0.13) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc=0.000884 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc=-0.00382 USER MOD Single : A 55 SER OG : rot 132:sc= 1.24 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.123 K(o=-0.12,f=-2.6!) USER MOD Single : A 61 SER OG : rot 85:sc= 1.23 USER MOD Single : A 63 GLN : amide:sc= -0.0142 X(o=-0.014,f=-0.43) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0967 USER MOD Single : A 67 ASN : amide:sc= -0.493 X(o=-0.49,f=-0.51) USER MOD Single : A 68 HIS : no HD1:sc= -0.447 X(o=-0.45,f=-0.028) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0.777 K(o=0.78,f=-4.2!) USER MOD Single : A 83 THR OG1 : rot 70:sc= 1.15 USER MOD Single : A 85 TYR OH : rot -15:sc= 0.393 USER MOD Single : A 88 MET CE :methyl 145:sc= 0 (180deg=-0.609) USER MOD Single : A 93 ASN : amide:sc= 0.621 K(o=0.62,f=-10!) USER MOD Single : A 95 GLN : amide:sc= -0.0259 K(o=-0.026,f=-1) USER MOD Single : A 98 SER OG : rot 71:sc= 0.954 USER MOD Single : A 101 SER OG : rot 120:sc= 0.483 USER MOD Single : A 103 MET CE :methyl -140:sc= 0 (180deg=-0.0126) USER MOD Single : A 104 SER OG : rot 170:sc= 0 USER MOD Single : A 109 THR OG1 : rot -161:sc= 1.92 USER MOD Single : A 110 GLN : amide:sc= 1.04 K(o=1,f=-0.06) USER MOD ----------------------------------------------------------------- ATOM 177 N LEU A 15 9.474 -0.536 -1.421 1.00 0.00 N ATOM 178 CA LEU A 15 8.117 -0.104 -1.726 1.00 0.00 C ATOM 179 C LEU A 15 7.845 1.329 -1.246 1.00 0.00 C ATOM 180 O LEU A 15 8.559 1.822 -0.372 1.00 0.00 O ATOM 181 CB LEU A 15 7.148 -1.100 -1.060 1.00 0.00 C ATOM 182 CG LEU A 15 6.835 -2.364 -1.883 1.00 0.00 C ATOM 183 CD1 LEU A 15 6.033 -2.052 -3.150 1.00 0.00 C ATOM 184 CD2 LEU A 15 8.031 -3.193 -2.324 1.00 0.00 C ATOM 0 HA LEU A 15 7.975 -0.093 -2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.569 -1.405 -0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.212 -0.584 -0.847 1.00 0.00 H new ATOM 0 HG LEU A 15 6.262 -2.953 -1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.839 -2.976 -3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.086 -1.586 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.603 -1.371 -3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.686 -4.055 -2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.686 -2.584 -2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.580 -3.535 -1.447 1.00 0.00 H new ATOM 196 N PRO A 16 6.816 2.006 -1.796 1.00 0.00 N ATOM 197 CA PRO A 16 6.436 3.343 -1.366 1.00 0.00 C ATOM 198 C PRO A 16 6.064 3.387 0.116 1.00 0.00 C ATOM 199 O PRO A 16 5.549 2.411 0.670 1.00 0.00 O ATOM 200 CB PRO A 16 5.216 3.751 -2.203 1.00 0.00 C ATOM 201 CG PRO A 16 5.114 2.717 -3.319 1.00 0.00 C ATOM 202 CD PRO A 16 5.906 1.513 -2.816 1.00 0.00 C ATOM 0 HA PRO A 16 7.279 4.020 -1.505 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.311 3.762 -1.596 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.339 4.755 -2.610 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.076 2.451 -3.517 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.528 3.100 -4.251 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.239 0.755 -2.405 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.457 1.044 -3.632 1.00 0.00 H new ATOM 210 N GLY A 17 6.188 4.577 0.699 1.00 0.00 N ATOM 211 CA GLY A 17 5.403 4.979 1.848 1.00 0.00 C ATOM 212 C GLY A 17 3.915 4.856 1.508 1.00 0.00 C ATOM 213 O GLY A 17 3.467 5.479 0.540 1.00 0.00 O ATOM 0 H GLY A 17 6.843 5.290 0.379 1.00 0.00 H new ATOM 0 HA2 GLY A 17 5.645 4.352 2.706 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.641 6.006 2.125 1.00 0.00 H new ATOM 217 N PRO A 18 3.147 4.048 2.249 1.00 0.00 N ATOM 218 CA PRO A 18 1.737 3.812 1.972 1.00 0.00 C ATOM 219 C PRO A 18 0.889 5.048 2.322 1.00 0.00 C ATOM 220 O PRO A 18 1.345 5.904 3.091 1.00 0.00 O ATOM 221 CB PRO A 18 1.376 2.576 2.800 1.00 0.00 C ATOM 222 CG PRO A 18 2.411 2.524 3.920 1.00 0.00 C ATOM 223 CD PRO A 18 3.607 3.308 3.405 1.00 0.00 C ATOM 0 HA PRO A 18 1.537 3.638 0.915 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.366 2.653 3.202 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.409 1.672 2.192 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.019 2.964 4.837 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.687 1.495 4.152 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.987 3.983 4.172 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.424 2.638 3.137 1.00 0.00 H new ATOM 231 N PRO A 19 -0.343 5.154 1.794 1.00 0.00 N ATOM 232 CA PRO A 19 -1.187 6.322 2.015 1.00 0.00 C ATOM 233 C PRO A 19 -1.677 6.370 3.467 1.00 0.00 C ATOM 234 O PRO A 19 -1.712 5.347 4.165 1.00 0.00 O ATOM 235 CB PRO A 19 -2.339 6.204 1.011 1.00 0.00 C ATOM 236 CG PRO A 19 -2.393 4.725 0.639 1.00 0.00 C ATOM 237 CD PRO A 19 -1.033 4.142 1.006 1.00 0.00 C ATOM 0 HA PRO A 19 -0.645 7.255 1.860 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.280 6.534 1.450 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.162 6.825 0.133 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.192 4.217 1.179 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.596 4.599 -0.424 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.148 3.220 1.576 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.464 3.894 0.110 1.00 0.00 H new ATOM 245 N SER A 20 -2.063 7.559 3.934 1.00 0.00 N ATOM 246 CA SER A 20 -2.634 7.741 5.264 1.00 0.00 C ATOM 247 C SER A 20 -4.049 7.151 5.336 1.00 0.00 C ATOM 248 O SER A 20 -4.600 6.704 4.326 1.00 0.00 O ATOM 249 CB SER A 20 -2.590 9.232 5.629 1.00 0.00 C ATOM 250 OG SER A 20 -3.138 10.070 4.628 1.00 0.00 O ATOM 0 H SER A 20 -1.987 8.423 3.397 1.00 0.00 H new ATOM 0 HA SER A 20 -2.044 7.198 6.002 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.134 9.387 6.561 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.556 9.524 5.811 1.00 0.00 H new ATOM 0 HG SER A 20 -3.083 11.005 4.918 1.00 0.00 H new ATOM 256 N LYS A 21 -4.662 7.157 6.531 1.00 0.00 N ATOM 257 CA LYS A 21 -6.075 6.817 6.683 1.00 0.00 C ATOM 258 C LYS A 21 -6.876 7.700 5.727 1.00 0.00 C ATOM 259 O LYS A 21 -6.798 8.926 5.870 1.00 0.00 O ATOM 260 CB LYS A 21 -6.539 7.048 8.130 1.00 0.00 C ATOM 261 CG LYS A 21 -7.930 6.436 8.366 1.00 0.00 C ATOM 262 CD LYS A 21 -8.348 6.569 9.830 1.00 0.00 C ATOM 263 CE LYS A 21 -9.651 5.836 10.153 1.00 0.00 C ATOM 264 NZ LYS A 21 -9.939 5.917 11.600 1.00 0.00 N ATOM 0 H LYS A 21 -4.194 7.395 7.405 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.230 5.763 6.451 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.821 6.606 8.821 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.567 8.117 8.340 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.662 6.932 7.729 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.921 5.384 8.081 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.552 6.180 10.465 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.463 7.625 10.074 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.473 6.274 9.587 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.574 4.792 9.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.435 5.055 11.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.047 6.007 12.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.538 6.746 11.789 1.00 0.00 H new ATOM 278 N PRO A 22 -7.645 7.156 4.776 1.00 0.00 N ATOM 279 CA PRO A 22 -8.538 7.986 3.999 1.00 0.00 C ATOM 280 C PRO A 22 -9.633 8.540 4.907 1.00 0.00 C ATOM 281 O PRO A 22 -10.072 7.903 5.870 1.00 0.00 O ATOM 282 CB PRO A 22 -9.097 7.114 2.875 1.00 0.00 C ATOM 283 CG PRO A 22 -8.678 5.690 3.215 1.00 0.00 C ATOM 284 CD PRO A 22 -7.828 5.748 4.483 1.00 0.00 C ATOM 0 HA PRO A 22 -8.027 8.844 3.563 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -10.182 7.200 2.815 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -8.699 7.419 1.907 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -9.554 5.060 3.370 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -8.111 5.251 2.394 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -8.324 5.239 5.309 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.869 5.253 4.333 1.00 0.00 H new ATOM 292 N GLN A 23 -10.104 9.726 4.558 1.00 0.00 N ATOM 293 CA GLN A 23 -11.373 10.250 5.018 1.00 0.00 C ATOM 294 C GLN A 23 -12.460 9.608 4.193 1.00 0.00 C ATOM 295 O GLN A 23 -12.220 9.009 3.148 1.00 0.00 O ATOM 296 CB GLN A 23 -11.471 11.765 4.775 1.00 0.00 C ATOM 297 CG GLN A 23 -10.558 12.526 5.709 1.00 0.00 C ATOM 298 CD GLN A 23 -11.125 12.645 7.125 1.00 0.00 C ATOM 299 OE1 GLN A 23 -11.994 13.471 7.405 1.00 0.00 O ATOM 300 NE2 GLN A 23 -10.667 11.820 8.055 1.00 0.00 N ATOM 0 H GLN A 23 -9.604 10.361 3.936 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.469 10.044 6.084 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -11.207 11.988 3.741 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -12.500 12.094 4.919 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.590 12.026 5.751 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -10.384 13.524 5.307 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.947 11.137 7.821 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -11.034 11.868 9.005 1.00 0.00 H new ATOM 309 N VAL A 24 -13.651 9.881 4.669 1.00 0.00 N ATOM 310 CA VAL A 24 -14.953 9.591 4.100 1.00 0.00 C ATOM 311 C VAL A 24 -15.635 10.957 3.987 1.00 0.00 C ATOM 312 O VAL A 24 -15.722 11.665 5.000 1.00 0.00 O ATOM 313 CB VAL A 24 -15.669 8.601 5.044 1.00 0.00 C ATOM 314 CG1 VAL A 24 -17.166 8.483 4.759 1.00 0.00 C ATOM 315 CG2 VAL A 24 -15.033 7.202 4.979 1.00 0.00 C ATOM 0 H VAL A 24 -13.745 10.365 5.562 1.00 0.00 H new ATOM 0 HA VAL A 24 -14.941 9.115 3.119 1.00 0.00 H new ATOM 0 HB VAL A 24 -15.547 9.013 6.046 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -17.614 7.773 5.454 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -17.638 9.458 4.882 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -17.315 8.134 3.737 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -15.561 6.530 5.656 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -15.101 6.819 3.961 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -13.986 7.264 5.274 1.00 0.00 H new ATOM 325 N THR A 25 -16.040 11.364 2.781 1.00 0.00 N ATOM 326 CA THR A 25 -16.519 12.720 2.535 1.00 0.00 C ATOM 327 C THR A 25 -17.968 12.705 2.040 1.00 0.00 C ATOM 328 O THR A 25 -18.871 12.824 2.871 1.00 0.00 O ATOM 329 CB THR A 25 -15.495 13.515 1.705 1.00 0.00 C ATOM 330 OG1 THR A 25 -15.252 12.941 0.441 1.00 0.00 O ATOM 331 CG2 THR A 25 -14.138 13.592 2.421 1.00 0.00 C ATOM 0 H THR A 25 -16.044 10.765 1.955 1.00 0.00 H new ATOM 0 HA THR A 25 -16.582 13.286 3.464 1.00 0.00 H new ATOM 0 HB THR A 25 -15.937 14.504 1.582 1.00 0.00 H new ATOM 0 HG1 THR A 25 -14.597 13.485 -0.045 1.00 0.00 H new ATOM 0 HG21 THR A 25 -13.436 14.160 1.810 1.00 0.00 H new ATOM 0 HG22 THR A 25 -14.263 14.086 3.385 1.00 0.00 H new ATOM 0 HG23 THR A 25 -13.751 12.585 2.577 1.00 0.00 H new ATOM 339 N ASP A 26 -18.230 12.529 0.747 1.00 0.00 N ATOM 340 CA ASP A 26 -19.573 12.299 0.207 1.00 0.00 C ATOM 341 C ASP A 26 -19.972 10.858 0.514 1.00 0.00 C ATOM 342 O ASP A 26 -19.106 9.984 0.568 1.00 0.00 O ATOM 343 CB ASP A 26 -19.571 12.498 -1.314 1.00 0.00 C ATOM 344 CG ASP A 26 -20.975 12.516 -1.920 1.00 0.00 C ATOM 345 OD1 ASP A 26 -21.543 11.447 -2.234 1.00 0.00 O ATOM 346 OD2 ASP A 26 -21.494 13.624 -2.183 1.00 0.00 O ATOM 0 H ASP A 26 -17.504 12.542 0.031 1.00 0.00 H new ATOM 0 HA ASP A 26 -20.274 13.001 0.658 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -19.068 13.435 -1.551 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -18.992 11.699 -1.778 1.00 0.00 H new ATOM 351 N VAL A 27 -21.258 10.580 0.687 1.00 0.00 N ATOM 352 CA VAL A 27 -21.806 9.225 0.628 1.00 0.00 C ATOM 353 C VAL A 27 -23.188 9.256 -0.008 1.00 0.00 C ATOM 354 O VAL A 27 -23.917 10.241 0.109 1.00 0.00 O ATOM 355 CB VAL A 27 -21.793 8.554 2.018 1.00 0.00 C ATOM 356 CG1 VAL A 27 -22.736 9.200 3.040 1.00 0.00 C ATOM 357 CG2 VAL A 27 -22.151 7.067 1.958 1.00 0.00 C ATOM 0 H VAL A 27 -21.960 11.295 0.875 1.00 0.00 H new ATOM 0 HA VAL A 27 -21.170 8.605 -0.005 1.00 0.00 H new ATOM 0 HB VAL A 27 -20.763 8.693 2.346 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -22.665 8.667 3.988 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -22.454 10.243 3.187 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -23.761 9.150 2.672 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -22.126 6.646 2.963 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -23.151 6.950 1.540 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -21.431 6.545 1.328 1.00 0.00 H new ATOM 367 N THR A 28 -23.583 8.157 -0.637 1.00 0.00 N ATOM 368 CA THR A 28 -24.882 7.956 -1.255 1.00 0.00 C ATOM 369 C THR A 28 -25.334 6.519 -0.999 1.00 0.00 C ATOM 370 O THR A 28 -24.704 5.776 -0.239 1.00 0.00 O ATOM 371 CB THR A 28 -24.798 8.263 -2.758 1.00 0.00 C ATOM 372 OG1 THR A 28 -23.753 7.523 -3.348 1.00 0.00 O ATOM 373 CG2 THR A 28 -24.519 9.726 -3.049 1.00 0.00 C ATOM 0 H THR A 28 -22.975 7.344 -0.733 1.00 0.00 H new ATOM 0 HA THR A 28 -25.617 8.634 -0.821 1.00 0.00 H new ATOM 0 HB THR A 28 -25.771 7.995 -3.170 1.00 0.00 H new ATOM 0 HG1 THR A 28 -23.789 7.625 -4.322 1.00 0.00 H new ATOM 0 HG21 THR A 28 -24.471 9.880 -4.127 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.317 10.339 -2.630 1.00 0.00 H new ATOM 0 HG23 THR A 28 -23.568 10.012 -2.599 1.00 0.00 H new ATOM 381 N LYS A 29 -26.437 6.112 -1.627 1.00 0.00 N ATOM 382 CA LYS A 29 -26.939 4.752 -1.524 1.00 0.00 C ATOM 383 C LYS A 29 -25.924 3.701 -1.975 1.00 0.00 C ATOM 384 O LYS A 29 -25.871 2.655 -1.354 1.00 0.00 O ATOM 385 CB LYS A 29 -28.286 4.643 -2.245 1.00 0.00 C ATOM 386 CG LYS A 29 -28.210 4.554 -3.771 1.00 0.00 C ATOM 387 CD LYS A 29 -29.624 4.622 -4.347 1.00 0.00 C ATOM 388 CE LYS A 29 -29.678 4.278 -5.827 1.00 0.00 C ATOM 389 NZ LYS A 29 -31.057 4.374 -6.346 1.00 0.00 N ATOM 0 H LYS A 29 -27.003 6.719 -2.220 1.00 0.00 H new ATOM 0 HA LYS A 29 -27.103 4.529 -0.470 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -28.808 3.761 -1.872 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -28.892 5.509 -1.978 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -27.604 5.369 -4.165 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -27.727 3.624 -4.070 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -30.268 3.937 -3.796 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -30.024 5.625 -4.198 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -29.029 4.953 -6.384 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -29.297 3.269 -5.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -31.065 4.134 -7.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -31.670 3.712 -5.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -31.410 5.344 -6.218 1.00 0.00 H new ATOM 403 N ASN A 30 -25.108 3.934 -3.011 1.00 0.00 N ATOM 404 CA ASN A 30 -24.197 2.895 -3.518 1.00 0.00 C ATOM 405 C ASN A 30 -22.802 3.445 -3.810 1.00 0.00 C ATOM 406 O ASN A 30 -22.055 2.845 -4.594 1.00 0.00 O ATOM 407 CB ASN A 30 -24.771 2.204 -4.769 1.00 0.00 C ATOM 408 CG ASN A 30 -26.031 1.399 -4.490 1.00 0.00 C ATOM 409 OD1 ASN A 30 -26.114 0.648 -3.531 1.00 0.00 O ATOM 410 ND2 ASN A 30 -27.039 1.549 -5.322 1.00 0.00 N ATOM 0 H ASN A 30 -25.058 4.822 -3.511 1.00 0.00 H new ATOM 0 HA ASN A 30 -24.103 2.153 -2.725 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -24.991 2.959 -5.523 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -24.013 1.544 -5.190 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -27.906 1.034 -5.171 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -26.953 2.180 -6.118 1.00 0.00 H new ATOM 417 N SER A 31 -22.436 4.617 -3.287 1.00 0.00 N ATOM 418 CA SER A 31 -21.147 5.243 -3.575 1.00 0.00 C ATOM 419 C SER A 31 -20.707 6.110 -2.396 1.00 0.00 C ATOM 420 O SER A 31 -21.538 6.472 -1.562 1.00 0.00 O ATOM 421 CB SER A 31 -21.252 6.069 -4.869 1.00 0.00 C ATOM 422 OG SER A 31 -21.964 5.350 -5.871 1.00 0.00 O ATOM 0 H SER A 31 -23.025 5.157 -2.653 1.00 0.00 H new ATOM 0 HA SER A 31 -20.391 4.471 -3.721 1.00 0.00 H new ATOM 0 HB2 SER A 31 -21.758 7.013 -4.664 1.00 0.00 H new ATOM 0 HB3 SER A 31 -20.254 6.315 -5.231 1.00 0.00 H new ATOM 0 HG SER A 31 -22.021 5.893 -6.685 1.00 0.00 H new ATOM 428 N VAL A 32 -19.420 6.439 -2.322 1.00 0.00 N ATOM 429 CA VAL A 32 -18.815 7.224 -1.252 1.00 0.00 C ATOM 430 C VAL A 32 -17.526 7.820 -1.809 1.00 0.00 C ATOM 431 O VAL A 32 -16.830 7.159 -2.585 1.00 0.00 O ATOM 432 CB VAL A 32 -18.627 6.342 0.012 1.00 0.00 C ATOM 433 CG1 VAL A 32 -17.953 4.992 -0.237 1.00 0.00 C ATOM 434 CG2 VAL A 32 -17.873 7.010 1.167 1.00 0.00 C ATOM 0 H VAL A 32 -18.746 6.155 -3.033 1.00 0.00 H new ATOM 0 HA VAL A 32 -19.449 8.048 -0.924 1.00 0.00 H new ATOM 0 HB VAL A 32 -19.667 6.187 0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -17.866 4.449 0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -18.552 4.410 -0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -16.960 5.153 -0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -17.794 6.313 2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -16.874 7.292 0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -18.414 7.900 1.488 1.00 0.00 H new ATOM 444 N THR A 33 -17.222 9.066 -1.458 1.00 0.00 N ATOM 445 CA THR A 33 -15.956 9.694 -1.798 1.00 0.00 C ATOM 446 C THR A 33 -15.009 9.511 -0.615 1.00 0.00 C ATOM 447 O THR A 33 -15.411 9.602 0.548 1.00 0.00 O ATOM 448 CB THR A 33 -16.181 11.156 -2.211 1.00 0.00 C ATOM 449 OG1 THR A 33 -17.063 11.203 -3.321 1.00 0.00 O ATOM 450 CG2 THR A 33 -14.896 11.874 -2.634 1.00 0.00 C ATOM 0 H THR A 33 -17.852 9.668 -0.928 1.00 0.00 H new ATOM 0 HA THR A 33 -15.491 9.225 -2.665 1.00 0.00 H new ATOM 0 HB THR A 33 -16.586 11.657 -1.332 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.208 12.136 -3.584 1.00 0.00 H new ATOM 0 HG21 THR A 33 -15.128 12.902 -2.913 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.189 11.874 -1.804 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.455 11.358 -3.487 1.00 0.00 H new ATOM 458 N LEU A 34 -13.753 9.224 -0.942 1.00 0.00 N ATOM 459 CA LEU A 34 -12.654 9.005 -0.028 1.00 0.00 C ATOM 460 C LEU A 34 -11.582 10.037 -0.345 1.00 0.00 C ATOM 461 O LEU A 34 -11.392 10.359 -1.520 1.00 0.00 O ATOM 462 CB LEU A 34 -12.083 7.595 -0.241 1.00 0.00 C ATOM 463 CG LEU A 34 -12.980 6.428 0.193 1.00 0.00 C ATOM 464 CD1 LEU A 34 -12.300 5.109 -0.183 1.00 0.00 C ATOM 465 CD2 LEU A 34 -13.224 6.434 1.696 1.00 0.00 C ATOM 0 H LEU A 34 -13.465 9.134 -1.916 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.988 9.098 1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -11.853 7.475 -1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.140 7.522 0.300 1.00 0.00 H new ATOM 0 HG LEU A 34 -13.939 6.535 -0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -12.931 4.274 0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -12.147 5.073 -1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.337 5.039 0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.863 5.593 1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -12.272 6.348 2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.712 7.366 1.982 1.00 0.00 H new ATOM 477 N SER A 35 -10.864 10.518 0.674 1.00 0.00 N ATOM 478 CA SER A 35 -9.814 11.525 0.510 1.00 0.00 C ATOM 479 C SER A 35 -8.628 11.176 1.412 1.00 0.00 C ATOM 480 O SER A 35 -8.795 11.196 2.631 1.00 0.00 O ATOM 481 CB SER A 35 -10.419 12.928 0.752 1.00 0.00 C ATOM 482 OG SER A 35 -10.095 13.562 1.973 1.00 0.00 O ATOM 0 H SER A 35 -10.996 10.218 1.640 1.00 0.00 H new ATOM 0 HA SER A 35 -9.419 11.536 -0.506 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.102 13.579 -0.063 1.00 0.00 H new ATOM 0 HB3 SER A 35 -11.504 12.845 0.690 1.00 0.00 H new ATOM 0 HG SER A 35 -10.531 14.439 2.012 1.00 0.00 H new ATOM 488 N TRP A 36 -7.457 10.844 0.873 1.00 0.00 N ATOM 489 CA TRP A 36 -6.257 10.487 1.638 1.00 0.00 C ATOM 490 C TRP A 36 -5.095 11.404 1.256 1.00 0.00 C ATOM 491 O TRP A 36 -5.220 12.202 0.326 1.00 0.00 O ATOM 492 CB TRP A 36 -5.914 9.003 1.444 1.00 0.00 C ATOM 493 CG TRP A 36 -5.717 8.536 0.034 1.00 0.00 C ATOM 494 CD1 TRP A 36 -4.527 8.398 -0.590 1.00 0.00 C ATOM 495 CD2 TRP A 36 -6.728 8.128 -0.937 1.00 0.00 C ATOM 496 NE1 TRP A 36 -4.723 7.913 -1.866 1.00 0.00 N ATOM 497 CE2 TRP A 36 -6.063 7.726 -2.131 1.00 0.00 C ATOM 498 CE3 TRP A 36 -8.140 8.057 -0.941 1.00 0.00 C ATOM 499 CZ2 TRP A 36 -6.758 7.306 -3.272 1.00 0.00 C ATOM 500 CZ3 TRP A 36 -8.848 7.627 -2.076 1.00 0.00 C ATOM 501 CH2 TRP A 36 -8.160 7.274 -3.251 1.00 0.00 C ATOM 0 H TRP A 36 -7.309 10.814 -0.136 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.453 10.633 2.700 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -5.004 8.788 2.004 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -6.711 8.408 1.891 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.567 8.632 -0.155 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.973 7.718 -2.529 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -8.686 8.339 -0.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.219 7.009 -4.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -9.926 7.567 -2.046 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -8.709 6.980 -4.133 1.00 0.00 H new ATOM 512 N GLN A 37 -3.981 11.328 1.987 1.00 0.00 N ATOM 513 CA GLN A 37 -2.713 11.897 1.560 1.00 0.00 C ATOM 514 C GLN A 37 -1.887 10.764 0.945 1.00 0.00 C ATOM 515 O GLN A 37 -1.951 9.625 1.426 1.00 0.00 O ATOM 516 CB GLN A 37 -1.934 12.512 2.735 1.00 0.00 C ATOM 517 CG GLN A 37 -2.719 13.578 3.508 1.00 0.00 C ATOM 518 CD GLN A 37 -3.071 14.801 2.662 1.00 0.00 C ATOM 519 OE1 GLN A 37 -2.245 15.313 1.917 1.00 0.00 O ATOM 520 NE2 GLN A 37 -4.291 15.308 2.775 1.00 0.00 N ATOM 0 H GLN A 37 -3.939 10.866 2.896 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.903 12.696 0.843 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.645 11.717 3.423 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.014 12.956 2.356 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.637 13.135 3.893 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.133 13.897 4.370 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.969 14.871 3.399 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.551 16.135 2.237 1.00 0.00 H new ATOM 529 N PRO A 38 -1.100 11.072 -0.089 1.00 0.00 N ATOM 530 CA PRO A 38 -0.089 10.189 -0.634 1.00 0.00 C ATOM 531 C PRO A 38 1.045 10.093 0.390 1.00 0.00 C ATOM 532 O PRO A 38 1.492 11.121 0.909 1.00 0.00 O ATOM 533 CB PRO A 38 0.346 10.866 -1.941 1.00 0.00 C ATOM 534 CG PRO A 38 0.097 12.357 -1.708 1.00 0.00 C ATOM 535 CD PRO A 38 -1.008 12.398 -0.667 1.00 0.00 C ATOM 0 HA PRO A 38 -0.425 9.171 -0.833 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.396 10.669 -2.158 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.230 10.496 -2.789 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.997 12.859 -1.352 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.205 12.858 -2.628 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.786 13.138 0.101 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.955 12.686 -1.122 1.00 0.00 H new ATOM 543 N GLY A 39 1.522 8.884 0.685 1.00 0.00 N ATOM 544 CA GLY A 39 2.740 8.695 1.450 1.00 0.00 C ATOM 545 C GLY A 39 3.941 8.988 0.558 1.00 0.00 C ATOM 546 O GLY A 39 3.802 9.334 -0.622 1.00 0.00 O ATOM 0 H GLY A 39 1.072 8.015 0.398 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.746 9.356 2.317 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.792 7.674 1.827 1.00 0.00 H new ATOM 550 N THR A 40 5.132 8.829 1.109 1.00 0.00 N ATOM 551 CA THR A 40 6.398 9.016 0.426 1.00 0.00 C ATOM 552 C THR A 40 6.527 8.010 -0.743 1.00 0.00 C ATOM 553 O THR A 40 5.913 6.941 -0.716 1.00 0.00 O ATOM 554 CB THR A 40 7.508 8.931 1.501 1.00 0.00 C ATOM 555 OG1 THR A 40 7.741 10.210 2.069 1.00 0.00 O ATOM 556 CG2 THR A 40 8.827 8.309 1.080 1.00 0.00 C ATOM 0 H THR A 40 5.247 8.555 2.085 1.00 0.00 H new ATOM 0 HA THR A 40 6.482 9.991 -0.054 1.00 0.00 H new ATOM 0 HB THR A 40 7.104 8.231 2.233 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.444 10.143 2.749 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.516 8.311 1.925 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.657 7.283 0.752 1.00 0.00 H new ATOM 0 HG23 THR A 40 9.256 8.886 0.261 1.00 0.00 H new ATOM 564 N PRO A 41 7.293 8.341 -1.792 1.00 0.00 N ATOM 565 CA PRO A 41 7.731 7.413 -2.835 1.00 0.00 C ATOM 566 C PRO A 41 8.781 6.435 -2.260 1.00 0.00 C ATOM 567 O PRO A 41 8.696 6.046 -1.096 1.00 0.00 O ATOM 568 CB PRO A 41 8.223 8.321 -3.971 1.00 0.00 C ATOM 569 CG PRO A 41 8.575 9.654 -3.315 1.00 0.00 C ATOM 570 CD PRO A 41 7.720 9.702 -2.057 1.00 0.00 C ATOM 0 HA PRO A 41 6.952 6.754 -3.218 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.091 7.889 -4.469 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.452 8.450 -4.730 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.637 9.709 -3.075 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.354 10.492 -3.976 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.289 10.100 -1.217 1.00 0.00 H new ATOM 0 HD3 PRO A 41 6.860 10.357 -2.198 1.00 0.00 H new ATOM 578 N GLY A 42 9.757 5.955 -3.031 1.00 0.00 N ATOM 579 CA GLY A 42 10.933 5.328 -2.448 1.00 0.00 C ATOM 580 C GLY A 42 12.022 5.238 -3.487 1.00 0.00 C ATOM 581 O GLY A 42 12.368 6.249 -4.101 1.00 0.00 O ATOM 0 H GLY A 42 9.753 5.990 -4.050 1.00 0.00 H new ATOM 0 HA2 GLY A 42 11.280 5.906 -1.592 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.683 4.333 -2.080 1.00 0.00 H new ATOM 585 N THR A 43 12.533 4.035 -3.703 1.00 0.00 N ATOM 586 CA THR A 43 13.422 3.630 -4.774 1.00 0.00 C ATOM 587 C THR A 43 12.865 4.091 -6.123 1.00 0.00 C ATOM 588 O THR A 43 13.596 4.520 -7.019 1.00 0.00 O ATOM 589 CB THR A 43 13.481 2.096 -4.679 1.00 0.00 C ATOM 590 OG1 THR A 43 12.182 1.541 -4.675 1.00 0.00 O ATOM 591 CG2 THR A 43 14.223 1.606 -3.434 1.00 0.00 C ATOM 0 H THR A 43 12.317 3.256 -3.081 1.00 0.00 H new ATOM 0 HA THR A 43 14.415 4.071 -4.689 1.00 0.00 H new ATOM 0 HB THR A 43 14.032 1.765 -5.559 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.244 0.565 -4.616 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.232 0.516 -3.421 1.00 0.00 H new ATOM 0 HG22 THR A 43 15.248 1.977 -3.451 1.00 0.00 H new ATOM 0 HG23 THR A 43 13.718 1.975 -2.541 1.00 0.00 H new ATOM 599 N LEU A 44 11.541 4.052 -6.234 1.00 0.00 N ATOM 600 CA LEU A 44 10.752 4.205 -7.433 1.00 0.00 C ATOM 601 C LEU A 44 9.564 5.132 -7.149 1.00 0.00 C ATOM 602 O LEU A 44 9.282 5.453 -5.986 1.00 0.00 O ATOM 603 CB LEU A 44 10.256 2.798 -7.795 1.00 0.00 C ATOM 604 CG LEU A 44 11.317 1.870 -8.402 1.00 0.00 C ATOM 605 CD1 LEU A 44 10.779 0.443 -8.432 1.00 0.00 C ATOM 606 CD2 LEU A 44 11.673 2.307 -9.819 1.00 0.00 C ATOM 0 H LEU A 44 10.952 3.900 -5.415 1.00 0.00 H new ATOM 0 HA LEU A 44 11.328 4.642 -8.249 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.856 2.328 -6.896 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.430 2.891 -8.501 1.00 0.00 H new ATOM 0 HG LEU A 44 12.216 1.919 -7.788 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.530 -0.220 -8.863 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.549 0.120 -7.417 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.874 0.408 -9.038 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.427 1.635 -10.229 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.781 2.276 -10.444 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.066 3.323 -9.798 1.00 0.00 H new ATOM 618 N PRO A 45 8.844 5.547 -8.200 1.00 0.00 N ATOM 619 CA PRO A 45 7.574 6.240 -8.088 1.00 0.00 C ATOM 620 C PRO A 45 6.464 5.246 -7.788 1.00 0.00 C ATOM 621 O PRO A 45 6.622 4.029 -7.902 1.00 0.00 O ATOM 622 CB PRO A 45 7.369 6.887 -9.461 1.00 0.00 C ATOM 623 CG PRO A 45 7.997 5.861 -10.399 1.00 0.00 C ATOM 624 CD PRO A 45 9.169 5.312 -9.600 1.00 0.00 C ATOM 0 HA PRO A 45 7.563 6.975 -7.283 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.314 7.048 -9.682 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.861 7.857 -9.531 1.00 0.00 H new ATOM 0 HG2 PRO A 45 7.290 5.075 -10.664 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.328 6.320 -11.331 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.310 4.249 -9.795 1.00 0.00 H new ATOM 0 HD3 PRO A 45 10.097 5.813 -9.875 1.00 0.00 H new ATOM 632 N ALA A 46 5.302 5.794 -7.463 1.00 0.00 N ATOM 633 CA ALA A 46 4.074 5.055 -7.334 1.00 0.00 C ATOM 634 C ALA A 46 3.305 5.240 -8.642 1.00 0.00 C ATOM 635 O ALA A 46 2.817 6.331 -8.944 1.00 0.00 O ATOM 636 CB ALA A 46 3.343 5.559 -6.102 1.00 0.00 C ATOM 0 H ALA A 46 5.194 6.791 -7.279 1.00 0.00 H new ATOM 0 HA ALA A 46 4.219 3.985 -7.186 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.408 5.012 -5.985 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.966 5.406 -5.221 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.130 6.622 -6.215 1.00 0.00 H new ATOM 642 N SER A 47 3.228 4.172 -9.424 1.00 0.00 N ATOM 643 CA SER A 47 2.564 4.044 -10.710 1.00 0.00 C ATOM 644 C SER A 47 1.092 4.487 -10.643 1.00 0.00 C ATOM 645 O SER A 47 0.644 5.272 -11.487 1.00 0.00 O ATOM 646 CB SER A 47 2.727 2.574 -11.135 1.00 0.00 C ATOM 647 OG SER A 47 3.923 2.391 -11.872 1.00 0.00 O ATOM 0 H SER A 47 3.669 3.295 -9.147 1.00 0.00 H new ATOM 0 HA SER A 47 3.012 4.704 -11.453 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.738 1.935 -10.252 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.872 2.269 -11.739 1.00 0.00 H new ATOM 0 HG SER A 47 4.007 1.449 -12.130 1.00 0.00 H new ATOM 653 N ALA A 48 0.316 4.002 -9.668 1.00 0.00 N ATOM 654 CA ALA A 48 -1.079 4.396 -9.455 1.00 0.00 C ATOM 655 C ALA A 48 -1.450 4.112 -7.993 1.00 0.00 C ATOM 656 O ALA A 48 -0.561 3.954 -7.153 1.00 0.00 O ATOM 657 CB ALA A 48 -1.982 3.682 -10.476 1.00 0.00 C ATOM 0 H ALA A 48 0.647 3.312 -8.993 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.223 5.464 -9.622 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.019 3.978 -10.314 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.679 3.959 -11.486 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.889 2.603 -10.352 1.00 0.00 H new ATOM 663 N TYR A 49 -2.748 4.057 -7.696 1.00 0.00 N ATOM 664 CA TYR A 49 -3.323 3.565 -6.450 1.00 0.00 C ATOM 665 C TYR A 49 -4.458 2.595 -6.809 1.00 0.00 C ATOM 666 O TYR A 49 -4.882 2.535 -7.966 1.00 0.00 O ATOM 667 CB TYR A 49 -3.848 4.726 -5.585 1.00 0.00 C ATOM 668 CG TYR A 49 -2.803 5.646 -4.984 1.00 0.00 C ATOM 669 CD1 TYR A 49 -2.254 5.350 -3.721 1.00 0.00 C ATOM 670 CD2 TYR A 49 -2.413 6.820 -5.656 1.00 0.00 C ATOM 671 CE1 TYR A 49 -1.281 6.189 -3.155 1.00 0.00 C ATOM 672 CE2 TYR A 49 -1.429 7.655 -5.101 1.00 0.00 C ATOM 673 CZ TYR A 49 -0.831 7.320 -3.866 1.00 0.00 C ATOM 674 OH TYR A 49 0.200 8.057 -3.378 1.00 0.00 O ATOM 0 H TYR A 49 -3.461 4.371 -8.354 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.560 3.053 -5.864 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.523 5.327 -6.194 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.441 4.306 -4.773 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.584 4.472 -3.185 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.871 7.079 -6.599 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.878 5.969 -2.177 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.129 8.554 -5.619 1.00 0.00 H new ATOM 0 HH TYR A 49 0.388 8.801 -3.988 1.00 0.00 H new ATOM 684 N ILE A 50 -4.960 1.864 -5.823 1.00 0.00 N ATOM 685 CA ILE A 50 -6.096 0.944 -5.839 1.00 0.00 C ATOM 686 C ILE A 50 -7.023 1.374 -4.702 1.00 0.00 C ATOM 687 O ILE A 50 -6.605 2.133 -3.825 1.00 0.00 O ATOM 688 CB ILE A 50 -5.543 -0.503 -5.693 1.00 0.00 C ATOM 689 CG1 ILE A 50 -5.282 -1.056 -7.106 1.00 0.00 C ATOM 690 CG2 ILE A 50 -6.386 -1.488 -4.871 1.00 0.00 C ATOM 691 CD1 ILE A 50 -4.365 -2.273 -7.117 1.00 0.00 C ATOM 0 H ILE A 50 -4.540 1.903 -4.894 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.670 0.965 -6.765 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.631 -0.415 -5.102 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.234 -1.323 -7.566 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.840 -0.271 -7.720 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.891 -2.459 -4.847 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.497 -1.112 -3.854 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.370 -1.594 -5.328 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.223 -2.612 -8.143 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.400 -2.005 -6.686 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.815 -3.073 -6.530 1.00 0.00 H new ATOM 703 N ILE A 51 -8.263 0.887 -4.693 1.00 0.00 N ATOM 704 CA ILE A 51 -9.127 0.896 -3.527 1.00 0.00 C ATOM 705 C ILE A 51 -9.686 -0.509 -3.394 1.00 0.00 C ATOM 706 O ILE A 51 -10.136 -1.100 -4.381 1.00 0.00 O ATOM 707 CB ILE A 51 -10.240 1.956 -3.643 1.00 0.00 C ATOM 708 CG1 ILE A 51 -9.579 3.324 -3.877 1.00 0.00 C ATOM 709 CG2 ILE A 51 -11.134 1.986 -2.390 1.00 0.00 C ATOM 710 CD1 ILE A 51 -10.534 4.498 -3.912 1.00 0.00 C ATOM 0 H ILE A 51 -8.698 0.468 -5.515 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.568 1.172 -2.633 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.890 1.704 -4.481 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.845 3.495 -3.090 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -9.033 3.291 -4.820 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -11.906 2.746 -2.512 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.603 1.011 -2.254 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -10.527 2.222 -1.516 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.974 5.418 -4.082 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -11.254 4.357 -4.718 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -11.063 4.566 -2.961 1.00 0.00 H new ATOM 722 N GLU A 52 -9.696 -1.012 -2.169 1.00 0.00 N ATOM 723 CA GLU A 52 -10.359 -2.251 -1.797 1.00 0.00 C ATOM 724 C GLU A 52 -11.494 -1.918 -0.851 1.00 0.00 C ATOM 725 O GLU A 52 -11.502 -0.827 -0.289 1.00 0.00 O ATOM 726 CB GLU A 52 -9.340 -3.222 -1.184 1.00 0.00 C ATOM 727 CG GLU A 52 -8.572 -3.829 -2.357 1.00 0.00 C ATOM 728 CD GLU A 52 -7.394 -4.658 -1.904 1.00 0.00 C ATOM 729 OE1 GLU A 52 -7.608 -5.698 -1.253 1.00 0.00 O ATOM 730 OE2 GLU A 52 -6.246 -4.245 -2.193 1.00 0.00 O ATOM 0 H GLU A 52 -9.230 -0.556 -1.385 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.780 -2.751 -2.670 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.665 -2.701 -0.505 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.841 -3.997 -0.604 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.246 -4.451 -2.946 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.221 -3.030 -3.011 1.00 0.00 H new ATOM 737 N ALA A 53 -12.445 -2.835 -0.685 1.00 0.00 N ATOM 738 CA ALA A 53 -13.546 -2.736 0.257 1.00 0.00 C ATOM 739 C ALA A 53 -13.859 -4.114 0.799 1.00 0.00 C ATOM 740 O ALA A 53 -13.768 -5.106 0.071 1.00 0.00 O ATOM 741 CB ALA A 53 -14.807 -2.221 -0.436 1.00 0.00 C ATOM 0 H ALA A 53 -12.466 -3.699 -1.227 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.253 -2.050 1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -15.619 -2.155 0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.614 -1.234 -0.856 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -15.089 -2.907 -1.235 1.00 0.00 H new ATOM 747 N PHE A 54 -14.348 -4.147 2.029 1.00 0.00 N ATOM 748 CA PHE A 54 -14.845 -5.327 2.700 1.00 0.00 C ATOM 749 C PHE A 54 -16.237 -5.011 3.208 1.00 0.00 C ATOM 750 O PHE A 54 -16.474 -3.928 3.746 1.00 0.00 O ATOM 751 CB PHE A 54 -13.898 -5.699 3.850 1.00 0.00 C ATOM 752 CG PHE A 54 -14.417 -6.739 4.827 1.00 0.00 C ATOM 753 CD1 PHE A 54 -15.284 -6.372 5.877 1.00 0.00 C ATOM 754 CD2 PHE A 54 -13.990 -8.073 4.723 1.00 0.00 C ATOM 755 CE1 PHE A 54 -15.712 -7.323 6.815 1.00 0.00 C ATOM 756 CE2 PHE A 54 -14.426 -9.028 5.654 1.00 0.00 C ATOM 757 CZ PHE A 54 -15.290 -8.658 6.701 1.00 0.00 C ATOM 0 H PHE A 54 -14.410 -3.310 2.609 1.00 0.00 H new ATOM 0 HA PHE A 54 -14.891 -6.181 2.024 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -12.964 -6.065 3.422 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.660 -4.793 4.407 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -15.621 -5.349 5.960 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.324 -8.365 3.924 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -16.365 -7.029 7.624 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.097 -10.053 5.566 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.627 -9.397 7.413 1.00 0.00 H new ATOM 767 N SER A 55 -17.132 -5.987 3.114 1.00 0.00 N ATOM 768 CA SER A 55 -18.264 -6.083 4.003 1.00 0.00 C ATOM 769 C SER A 55 -18.513 -7.555 4.237 1.00 0.00 C ATOM 770 O SER A 55 -18.532 -8.367 3.304 1.00 0.00 O ATOM 771 CB SER A 55 -19.502 -5.442 3.390 1.00 0.00 C ATOM 772 OG SER A 55 -20.472 -5.172 4.376 1.00 0.00 O ATOM 0 H SER A 55 -17.086 -6.730 2.417 1.00 0.00 H new ATOM 0 HA SER A 55 -18.056 -5.558 4.935 1.00 0.00 H new ATOM 0 HB2 SER A 55 -19.225 -4.517 2.885 1.00 0.00 H new ATOM 0 HB3 SER A 55 -19.922 -6.105 2.633 1.00 0.00 H new ATOM 0 HG SER A 55 -20.803 -4.256 4.267 1.00 0.00 H new ATOM 778 N GLN A 56 -18.768 -7.874 5.495 1.00 0.00 N ATOM 779 CA GLN A 56 -19.316 -9.150 5.884 1.00 0.00 C ATOM 780 C GLN A 56 -20.692 -9.349 5.233 1.00 0.00 C ATOM 781 O GLN A 56 -20.979 -10.429 4.723 1.00 0.00 O ATOM 782 CB GLN A 56 -19.288 -9.253 7.419 1.00 0.00 C ATOM 783 CG GLN A 56 -19.892 -8.039 8.149 1.00 0.00 C ATOM 784 CD GLN A 56 -19.972 -8.170 9.670 1.00 0.00 C ATOM 785 OE1 GLN A 56 -19.407 -9.077 10.272 1.00 0.00 O ATOM 786 NE2 GLN A 56 -20.671 -7.254 10.322 1.00 0.00 N ATOM 0 H GLN A 56 -18.596 -7.244 6.278 1.00 0.00 H new ATOM 0 HA GLN A 56 -18.714 -9.981 5.517 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -19.830 -10.149 7.721 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -18.255 -9.380 7.744 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -19.299 -7.157 7.907 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -20.896 -7.864 7.762 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -21.136 -6.505 9.808 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -20.745 -7.297 11.338 1.00 0.00 H new ATOM 795 N SER A 57 -21.489 -8.283 5.122 1.00 0.00 N ATOM 796 CA SER A 57 -22.830 -8.242 4.541 1.00 0.00 C ATOM 797 C SER A 57 -22.846 -8.275 2.998 1.00 0.00 C ATOM 798 O SER A 57 -23.853 -7.913 2.387 1.00 0.00 O ATOM 799 CB SER A 57 -23.506 -6.973 5.073 1.00 0.00 C ATOM 800 OG SER A 57 -23.426 -6.950 6.488 1.00 0.00 O ATOM 0 H SER A 57 -21.194 -7.366 5.458 1.00 0.00 H new ATOM 0 HA SER A 57 -23.369 -9.142 4.836 1.00 0.00 H new ATOM 0 HB2 SER A 57 -23.022 -6.089 4.657 1.00 0.00 H new ATOM 0 HB3 SER A 57 -24.549 -6.944 4.757 1.00 0.00 H new ATOM 0 HG SER A 57 -23.857 -6.138 6.827 1.00 0.00 H new ATOM 806 N VAL A 58 -21.739 -8.664 2.360 1.00 0.00 N ATOM 807 CA VAL A 58 -21.585 -8.747 0.910 1.00 0.00 C ATOM 808 C VAL A 58 -21.050 -10.139 0.594 1.00 0.00 C ATOM 809 O VAL A 58 -21.820 -11.001 0.175 1.00 0.00 O ATOM 810 CB VAL A 58 -20.710 -7.571 0.415 1.00 0.00 C ATOM 811 CG1 VAL A 58 -20.182 -7.679 -1.020 1.00 0.00 C ATOM 812 CG2 VAL A 58 -21.515 -6.263 0.503 1.00 0.00 C ATOM 0 H VAL A 58 -20.894 -8.940 2.861 1.00 0.00 H new ATOM 0 HA VAL A 58 -22.525 -8.635 0.370 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.839 -7.594 1.069 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -19.583 -6.799 -1.255 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -19.566 -8.573 -1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -21.021 -7.742 -1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -20.900 -5.433 0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -22.406 -6.341 -0.120 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -21.810 -6.086 1.537 1.00 0.00 H new ATOM 822 N SER A 59 -19.756 -10.376 0.805 1.00 0.00 N ATOM 823 CA SER A 59 -19.118 -11.644 0.470 1.00 0.00 C ATOM 824 C SER A 59 -17.964 -11.930 1.437 1.00 0.00 C ATOM 825 O SER A 59 -17.051 -12.669 1.082 1.00 0.00 O ATOM 826 CB SER A 59 -18.688 -11.602 -1.011 1.00 0.00 C ATOM 827 OG SER A 59 -18.892 -12.852 -1.647 1.00 0.00 O ATOM 0 H SER A 59 -19.121 -9.691 1.214 1.00 0.00 H new ATOM 0 HA SER A 59 -19.814 -12.475 0.586 1.00 0.00 H new ATOM 0 HB2 SER A 59 -19.253 -10.830 -1.533 1.00 0.00 H new ATOM 0 HB3 SER A 59 -17.636 -11.326 -1.078 1.00 0.00 H new ATOM 0 HG SER A 59 -18.611 -12.792 -2.584 1.00 0.00 H new ATOM 833 N ASN A 60 -17.977 -11.299 2.623 1.00 0.00 N ATOM 834 CA ASN A 60 -16.986 -11.393 3.699 1.00 0.00 C ATOM 835 C ASN A 60 -15.563 -11.515 3.154 1.00 0.00 C ATOM 836 O ASN A 60 -14.830 -12.449 3.457 1.00 0.00 O ATOM 837 CB ASN A 60 -17.378 -12.511 4.677 1.00 0.00 C ATOM 838 CG ASN A 60 -16.721 -12.336 6.043 1.00 0.00 C ATOM 839 OD1 ASN A 60 -15.634 -11.794 6.180 1.00 0.00 O ATOM 840 ND2 ASN A 60 -17.386 -12.735 7.108 1.00 0.00 N ATOM 0 H ASN A 60 -18.737 -10.665 2.869 1.00 0.00 H new ATOM 0 HA ASN A 60 -16.986 -10.463 4.267 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -18.461 -12.525 4.796 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -17.091 -13.475 4.258 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -16.993 -12.591 8.038 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -18.294 -13.188 7.002 1.00 0.00 H new ATOM 847 N SER A 61 -15.210 -10.605 2.249 1.00 0.00 N ATOM 848 CA SER A 61 -13.948 -10.590 1.525 1.00 0.00 C ATOM 849 C SER A 61 -13.517 -9.146 1.353 1.00 0.00 C ATOM 850 O SER A 61 -14.373 -8.289 1.106 1.00 0.00 O ATOM 851 CB SER A 61 -14.166 -11.191 0.137 1.00 0.00 C ATOM 852 OG SER A 61 -14.542 -12.550 0.211 1.00 0.00 O ATOM 0 H SER A 61 -15.821 -9.830 1.992 1.00 0.00 H new ATOM 0 HA SER A 61 -13.194 -11.159 2.069 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.938 -10.627 -0.387 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.251 -11.098 -0.448 1.00 0.00 H new ATOM 0 HG SER A 61 -15.511 -12.615 0.345 1.00 0.00 H new ATOM 858 N TRP A 62 -12.216 -8.885 1.431 1.00 0.00 N ATOM 859 CA TRP A 62 -11.634 -7.745 0.747 1.00 0.00 C ATOM 860 C TRP A 62 -11.761 -8.007 -0.748 1.00 0.00 C ATOM 861 O TRP A 62 -11.536 -9.134 -1.188 1.00 0.00 O ATOM 862 CB TRP A 62 -10.165 -7.563 1.157 1.00 0.00 C ATOM 863 CG TRP A 62 -9.966 -7.003 2.533 1.00 0.00 C ATOM 864 CD1 TRP A 62 -9.413 -7.631 3.593 1.00 0.00 C ATOM 865 CD2 TRP A 62 -10.326 -5.677 3.007 1.00 0.00 C ATOM 866 NE1 TRP A 62 -9.417 -6.785 4.686 1.00 0.00 N ATOM 867 CE2 TRP A 62 -10.025 -5.582 4.397 1.00 0.00 C ATOM 868 CE3 TRP A 62 -10.903 -4.552 2.391 1.00 0.00 C ATOM 869 CZ2 TRP A 62 -10.316 -4.431 5.152 1.00 0.00 C ATOM 870 CZ3 TRP A 62 -11.204 -3.400 3.134 1.00 0.00 C ATOM 871 CH2 TRP A 62 -10.908 -3.335 4.505 1.00 0.00 C ATOM 0 H TRP A 62 -11.550 -9.448 1.960 1.00 0.00 H new ATOM 0 HA TRP A 62 -12.152 -6.824 1.014 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.662 -8.528 1.096 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -9.679 -6.904 0.437 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -9.027 -8.640 3.587 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -9.019 -7.022 5.595 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -11.117 -4.575 1.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -10.089 -4.392 6.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -11.668 -2.555 2.646 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -11.136 -2.439 5.063 1.00 0.00 H new ATOM 882 N GLN A 63 -12.150 -6.985 -1.508 1.00 0.00 N ATOM 883 CA GLN A 63 -12.242 -7.015 -2.959 1.00 0.00 C ATOM 884 C GLN A 63 -11.713 -5.696 -3.479 1.00 0.00 C ATOM 885 O GLN A 63 -11.977 -4.661 -2.865 1.00 0.00 O ATOM 886 CB GLN A 63 -13.698 -7.171 -3.429 1.00 0.00 C ATOM 887 CG GLN A 63 -14.394 -8.356 -2.754 1.00 0.00 C ATOM 888 CD GLN A 63 -15.528 -8.961 -3.571 1.00 0.00 C ATOM 889 OE1 GLN A 63 -15.410 -9.144 -4.786 1.00 0.00 O ATOM 890 NE2 GLN A 63 -16.643 -9.273 -2.936 1.00 0.00 N ATOM 0 H GLN A 63 -12.418 -6.084 -1.113 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.669 -7.864 -3.333 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.249 -6.256 -3.213 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -13.717 -7.307 -4.510 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -13.654 -9.130 -2.551 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.788 -8.031 -1.791 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -16.720 -9.114 -1.931 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -17.428 -9.673 -3.450 1.00 0.00 H new ATOM 899 N THR A 64 -11.052 -5.710 -4.632 1.00 0.00 N ATOM 900 CA THR A 64 -10.736 -4.489 -5.372 1.00 0.00 C ATOM 901 C THR A 64 -12.054 -3.849 -5.809 1.00 0.00 C ATOM 902 O THR A 64 -12.865 -4.513 -6.453 1.00 0.00 O ATOM 903 CB THR A 64 -9.806 -4.759 -6.578 1.00 0.00 C ATOM 904 OG1 THR A 64 -9.398 -6.111 -6.699 1.00 0.00 O ATOM 905 CG2 THR A 64 -8.540 -3.898 -6.478 1.00 0.00 C ATOM 0 H THR A 64 -10.720 -6.564 -5.080 1.00 0.00 H new ATOM 0 HA THR A 64 -10.185 -3.806 -4.725 1.00 0.00 H new ATOM 0 HB THR A 64 -10.398 -4.506 -7.457 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.816 -6.208 -7.481 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.895 -4.099 -7.333 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.817 -2.844 -6.472 1.00 0.00 H new ATOM 0 HG23 THR A 64 -8.008 -4.139 -5.558 1.00 0.00 H new ATOM 913 N VAL A 65 -12.277 -2.578 -5.474 1.00 0.00 N ATOM 914 CA VAL A 65 -13.474 -1.826 -5.847 1.00 0.00 C ATOM 915 C VAL A 65 -13.137 -0.543 -6.619 1.00 0.00 C ATOM 916 O VAL A 65 -14.047 0.103 -7.137 1.00 0.00 O ATOM 917 CB VAL A 65 -14.363 -1.561 -4.618 1.00 0.00 C ATOM 918 CG1 VAL A 65 -14.904 -2.878 -4.020 1.00 0.00 C ATOM 919 CG2 VAL A 65 -13.635 -0.718 -3.563 1.00 0.00 C ATOM 0 H VAL A 65 -11.615 -2.031 -4.923 1.00 0.00 H new ATOM 0 HA VAL A 65 -14.051 -2.444 -6.535 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.221 -0.980 -4.956 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -15.528 -2.655 -3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -15.498 -3.401 -4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -14.069 -3.508 -3.713 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -14.295 -0.552 -2.711 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.740 -1.244 -3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.353 0.242 -3.996 1.00 0.00 H new ATOM 929 N ALA A 66 -11.858 -0.186 -6.751 1.00 0.00 N ATOM 930 CA ALA A 66 -11.362 0.631 -7.846 1.00 0.00 C ATOM 931 C ALA A 66 -9.917 0.209 -8.089 1.00 0.00 C ATOM 932 O ALA A 66 -9.231 -0.204 -7.152 1.00 0.00 O ATOM 933 CB ALA A 66 -11.463 2.120 -7.501 1.00 0.00 C ATOM 0 H ALA A 66 -11.133 -0.463 -6.089 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.957 0.484 -8.748 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.086 2.713 -8.334 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.505 2.380 -7.312 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.870 2.328 -6.610 1.00 0.00 H new ATOM 939 N ASN A 67 -9.417 0.335 -9.317 1.00 0.00 N ATOM 940 CA ASN A 67 -8.049 -0.054 -9.639 1.00 0.00 C ATOM 941 C ASN A 67 -7.418 1.069 -10.440 1.00 0.00 C ATOM 942 O ASN A 67 -8.113 1.739 -11.200 1.00 0.00 O ATOM 943 CB ASN A 67 -7.951 -1.365 -10.448 1.00 0.00 C ATOM 944 CG ASN A 67 -8.867 -2.514 -10.051 1.00 0.00 C ATOM 945 OD1 ASN A 67 -10.091 -2.407 -10.102 1.00 0.00 O ATOM 946 ND2 ASN A 67 -8.302 -3.673 -9.756 1.00 0.00 N ATOM 0 H ASN A 67 -9.944 0.706 -10.108 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.530 -0.233 -8.698 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.145 -1.128 -11.494 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.922 -1.720 -10.387 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.883 -4.490 -9.568 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.286 -3.750 -9.717 1.00 0.00 H new ATOM 953 N HIS A 68 -6.098 1.220 -10.320 1.00 0.00 N ATOM 954 CA HIS A 68 -5.270 2.178 -11.049 1.00 0.00 C ATOM 955 C HIS A 68 -5.940 3.559 -11.082 1.00 0.00 C ATOM 956 O HIS A 68 -6.334 4.053 -12.133 1.00 0.00 O ATOM 957 CB HIS A 68 -4.869 1.620 -12.426 1.00 0.00 C ATOM 958 CG HIS A 68 -3.945 0.421 -12.348 1.00 0.00 C ATOM 959 ND1 HIS A 68 -2.726 0.279 -12.979 1.00 0.00 N ATOM 960 CD2 HIS A 68 -4.154 -0.725 -11.624 1.00 0.00 C ATOM 961 CE1 HIS A 68 -2.216 -0.908 -12.617 1.00 0.00 C ATOM 962 NE2 HIS A 68 -3.058 -1.563 -11.805 1.00 0.00 N ATOM 0 H HIS A 68 -5.551 0.647 -9.678 1.00 0.00 H new ATOM 0 HA HIS A 68 -4.329 2.329 -10.520 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.770 1.339 -12.972 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.381 2.408 -13.000 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.021 -0.940 -11.017 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.256 -1.285 -12.937 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -2.922 -2.490 -11.401 1.00 0.00 H new ATOM 970 N VAL A 69 -6.083 4.150 -9.895 1.00 0.00 N ATOM 971 CA VAL A 69 -6.988 5.258 -9.581 1.00 0.00 C ATOM 972 C VAL A 69 -6.307 6.614 -9.731 1.00 0.00 C ATOM 973 O VAL A 69 -6.915 7.605 -10.122 1.00 0.00 O ATOM 974 CB VAL A 69 -7.537 5.012 -8.156 1.00 0.00 C ATOM 975 CG1 VAL A 69 -8.453 6.125 -7.643 1.00 0.00 C ATOM 976 CG2 VAL A 69 -8.308 3.685 -8.093 1.00 0.00 C ATOM 0 H VAL A 69 -5.542 3.853 -9.083 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.815 5.289 -10.290 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.657 4.985 -7.513 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.797 5.879 -6.638 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.904 7.066 -7.618 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.312 6.224 -8.306 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.686 3.531 -7.082 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.144 3.716 -8.792 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.642 2.864 -8.360 1.00 0.00 H new ATOM 986 N LYS A 70 -4.996 6.607 -9.524 1.00 0.00 N ATOM 987 CA LYS A 70 -4.027 7.637 -9.902 1.00 0.00 C ATOM 988 C LYS A 70 -4.283 9.002 -9.263 1.00 0.00 C ATOM 989 O LYS A 70 -3.729 10.010 -9.708 1.00 0.00 O ATOM 990 CB LYS A 70 -3.928 7.729 -11.432 1.00 0.00 C ATOM 991 CG LYS A 70 -4.287 6.425 -12.149 1.00 0.00 C ATOM 992 CD LYS A 70 -3.690 6.352 -13.530 1.00 0.00 C ATOM 993 CE LYS A 70 -4.680 5.695 -14.495 1.00 0.00 C ATOM 994 NZ LYS A 70 -4.311 5.966 -15.895 1.00 0.00 N ATOM 0 H LYS A 70 -4.545 5.823 -9.052 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.064 7.323 -9.499 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.589 8.521 -11.784 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.913 8.017 -11.705 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.936 5.579 -11.558 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.371 6.337 -12.219 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.439 7.353 -13.880 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.762 5.781 -13.504 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.702 4.619 -14.323 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.685 6.069 -14.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.997 5.510 -16.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.314 6.992 -16.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.361 5.587 -16.083 1.00 0.00 H new ATOM 1008 N THR A 71 -5.117 9.045 -8.235 1.00 0.00 N ATOM 1009 CA THR A 71 -5.451 10.236 -7.478 1.00 0.00 C ATOM 1010 C THR A 71 -5.464 9.869 -6.004 1.00 0.00 C ATOM 1011 O THR A 71 -5.182 8.729 -5.628 1.00 0.00 O ATOM 1012 CB THR A 71 -6.773 10.816 -8.009 1.00 0.00 C ATOM 1013 OG1 THR A 71 -7.150 12.049 -7.435 1.00 0.00 O ATOM 1014 CG2 THR A 71 -7.937 9.837 -7.871 1.00 0.00 C ATOM 0 H THR A 71 -5.599 8.214 -7.893 1.00 0.00 H new ATOM 0 HA THR A 71 -4.713 11.029 -7.597 1.00 0.00 H new ATOM 0 HB THR A 71 -6.561 10.997 -9.063 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.997 12.347 -7.828 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.846 10.295 -8.260 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.718 8.930 -8.434 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.079 9.586 -6.820 1.00 0.00 H new ATOM 1022 N THR A 72 -5.804 10.858 -5.196 1.00 0.00 N ATOM 1023 CA THR A 72 -5.866 10.791 -3.748 1.00 0.00 C ATOM 1024 C THR A 72 -7.250 11.217 -3.226 1.00 0.00 C ATOM 1025 O THR A 72 -7.501 11.174 -2.020 1.00 0.00 O ATOM 1026 CB THR A 72 -4.682 11.573 -3.158 1.00 0.00 C ATOM 1027 OG1 THR A 72 -4.603 12.854 -3.748 1.00 0.00 O ATOM 1028 CG2 THR A 72 -3.332 10.890 -3.417 1.00 0.00 C ATOM 0 H THR A 72 -6.058 11.779 -5.553 1.00 0.00 H new ATOM 0 HA THR A 72 -5.760 9.761 -3.408 1.00 0.00 H new ATOM 0 HB THR A 72 -4.864 11.625 -2.085 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.847 13.345 -3.364 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.532 11.487 -2.978 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.334 9.898 -2.966 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.170 10.800 -4.491 1.00 0.00 H new ATOM 1036 N LEU A 73 -8.174 11.570 -4.131 1.00 0.00 N ATOM 1037 CA LEU A 73 -9.570 11.885 -3.857 1.00 0.00 C ATOM 1038 C LEU A 73 -10.377 11.145 -4.918 1.00 0.00 C ATOM 1039 O LEU A 73 -10.224 11.460 -6.101 1.00 0.00 O ATOM 1040 CB LEU A 73 -9.772 13.407 -3.937 1.00 0.00 C ATOM 1041 CG LEU A 73 -11.232 13.866 -3.743 1.00 0.00 C ATOM 1042 CD1 LEU A 73 -11.657 13.892 -2.277 1.00 0.00 C ATOM 1043 CD2 LEU A 73 -11.390 15.275 -4.321 1.00 0.00 C ATOM 0 H LEU A 73 -7.949 11.645 -5.123 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.887 11.578 -2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.150 13.884 -3.180 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.419 13.758 -4.907 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.868 13.146 -4.258 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.693 14.223 -2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.565 12.892 -1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.017 14.580 -1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -12.419 15.609 -4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.717 15.958 -3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.146 15.262 -5.383 1.00 0.00 H new ATOM 1055 N TYR A 74 -11.160 10.129 -4.546 1.00 0.00 N ATOM 1056 CA TYR A 74 -11.899 9.300 -5.500 1.00 0.00 C ATOM 1057 C TYR A 74 -13.237 8.855 -4.928 1.00 0.00 C ATOM 1058 O TYR A 74 -13.380 8.691 -3.719 1.00 0.00 O ATOM 1059 CB TYR A 74 -11.054 8.086 -5.905 1.00 0.00 C ATOM 1060 CG TYR A 74 -11.684 7.262 -7.011 1.00 0.00 C ATOM 1061 CD1 TYR A 74 -11.627 7.717 -8.341 1.00 0.00 C ATOM 1062 CD2 TYR A 74 -12.388 6.083 -6.704 1.00 0.00 C ATOM 1063 CE1 TYR A 74 -12.262 6.988 -9.361 1.00 0.00 C ATOM 1064 CE2 TYR A 74 -13.025 5.348 -7.719 1.00 0.00 C ATOM 1065 CZ TYR A 74 -12.970 5.804 -9.056 1.00 0.00 C ATOM 1066 OH TYR A 74 -13.609 5.145 -10.060 1.00 0.00 O ATOM 0 H TYR A 74 -11.299 9.858 -3.573 1.00 0.00 H new ATOM 0 HA TYR A 74 -12.104 9.901 -6.386 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -10.071 8.428 -6.230 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -10.898 7.452 -5.032 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -11.095 8.627 -8.578 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -12.439 5.740 -5.681 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -12.209 7.334 -10.383 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -13.555 4.438 -7.478 1.00 0.00 H new ATOM 0 HH TYR A 74 -14.051 4.349 -9.699 1.00 0.00 H new ATOM 1076 N THR A 75 -14.200 8.635 -5.818 1.00 0.00 N ATOM 1077 CA THR A 75 -15.552 8.206 -5.525 1.00 0.00 C ATOM 1078 C THR A 75 -15.689 6.721 -5.863 1.00 0.00 C ATOM 1079 O THR A 75 -15.809 6.349 -7.035 1.00 0.00 O ATOM 1080 CB THR A 75 -16.512 9.097 -6.310 1.00 0.00 C ATOM 1081 OG1 THR A 75 -16.337 10.443 -5.897 1.00 0.00 O ATOM 1082 CG2 THR A 75 -17.974 8.670 -6.120 1.00 0.00 C ATOM 0 H THR A 75 -14.043 8.760 -6.818 1.00 0.00 H new ATOM 0 HA THR A 75 -15.795 8.309 -4.467 1.00 0.00 H new ATOM 0 HB THR A 75 -16.283 8.998 -7.371 1.00 0.00 H new ATOM 0 HG1 THR A 75 -16.626 10.540 -4.966 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.623 9.330 -6.695 1.00 0.00 H new ATOM 0 HG22 THR A 75 -18.101 7.644 -6.465 1.00 0.00 H new ATOM 0 HG23 THR A 75 -18.237 8.733 -5.064 1.00 0.00 H new ATOM 1090 N VAL A 76 -15.658 5.888 -4.825 1.00 0.00 N ATOM 1091 CA VAL A 76 -15.986 4.472 -4.867 1.00 0.00 C ATOM 1092 C VAL A 76 -17.462 4.348 -5.231 1.00 0.00 C ATOM 1093 O VAL A 76 -18.287 5.115 -4.733 1.00 0.00 O ATOM 1094 CB VAL A 76 -15.717 3.848 -3.482 1.00 0.00 C ATOM 1095 CG1 VAL A 76 -15.928 2.326 -3.491 1.00 0.00 C ATOM 1096 CG2 VAL A 76 -14.276 4.124 -3.033 1.00 0.00 C ATOM 0 H VAL A 76 -15.391 6.200 -3.891 1.00 0.00 H new ATOM 0 HA VAL A 76 -15.377 3.949 -5.605 1.00 0.00 H new ATOM 0 HB VAL A 76 -16.425 4.307 -2.792 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -15.729 1.925 -2.497 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.957 2.103 -3.772 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.248 1.869 -4.210 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.108 3.675 -2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -13.581 3.693 -3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -14.114 5.200 -2.972 1.00 0.00 H new ATOM 1106 N ARG A 77 -17.810 3.380 -6.077 1.00 0.00 N ATOM 1107 CA ARG A 77 -19.176 3.083 -6.496 1.00 0.00 C ATOM 1108 C ARG A 77 -19.426 1.575 -6.419 1.00 0.00 C ATOM 1109 O ARG A 77 -18.600 0.841 -5.884 1.00 0.00 O ATOM 1110 CB ARG A 77 -19.397 3.624 -7.915 1.00 0.00 C ATOM 1111 CG ARG A 77 -19.203 5.139 -8.045 1.00 0.00 C ATOM 1112 CD ARG A 77 -19.366 5.520 -9.510 1.00 0.00 C ATOM 1113 NE ARG A 77 -19.606 6.961 -9.689 1.00 0.00 N ATOM 1114 CZ ARG A 77 -20.555 7.507 -10.463 1.00 0.00 C ATOM 1115 NH1 ARG A 77 -21.289 6.767 -11.282 1.00 0.00 N ATOM 1116 NH2 ARG A 77 -20.767 8.814 -10.431 1.00 0.00 N ATOM 0 H ARG A 77 -17.123 2.759 -6.504 1.00 0.00 H new ATOM 0 HA ARG A 77 -19.889 3.570 -5.830 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -18.710 3.121 -8.595 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -20.407 3.369 -8.236 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -19.932 5.669 -7.432 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -18.215 5.427 -7.686 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -18.470 5.232 -10.060 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -20.197 4.960 -9.939 1.00 0.00 H new ATOM 0 HE ARG A 77 -18.997 7.601 -9.179 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -21.138 5.760 -11.333 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -22.005 7.205 -11.861 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -20.208 9.406 -9.817 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -21.489 9.228 -11.020 1.00 0.00 H new ATOM 1130 N GLY A 78 -20.560 1.120 -6.958 1.00 0.00 N ATOM 1131 CA GLY A 78 -20.880 -0.300 -7.072 1.00 0.00 C ATOM 1132 C GLY A 78 -21.115 -0.962 -5.715 1.00 0.00 C ATOM 1133 O GLY A 78 -20.844 -2.154 -5.563 1.00 0.00 O ATOM 0 H GLY A 78 -21.285 1.733 -7.329 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -21.771 -0.419 -7.689 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -20.066 -0.812 -7.585 1.00 0.00 H new ATOM 1137 N LEU A 79 -21.582 -0.203 -4.717 1.00 0.00 N ATOM 1138 CA LEU A 79 -21.828 -0.725 -3.372 1.00 0.00 C ATOM 1139 C LEU A 79 -23.264 -1.256 -3.288 1.00 0.00 C ATOM 1140 O LEU A 79 -23.932 -1.454 -4.310 1.00 0.00 O ATOM 1141 CB LEU A 79 -21.520 0.339 -2.297 1.00 0.00 C ATOM 1142 CG LEU A 79 -20.089 0.894 -2.329 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -19.928 1.987 -1.273 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -19.017 -0.175 -2.094 1.00 0.00 C ATOM 0 H LEU A 79 -21.799 0.788 -4.821 1.00 0.00 H new ATOM 0 HA LEU A 79 -21.152 -1.556 -3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -22.218 1.167 -2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -21.704 -0.095 -1.314 1.00 0.00 H new ATOM 0 HG LEU A 79 -19.942 1.293 -3.333 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -18.910 2.375 -1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -20.630 2.795 -1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -20.129 1.571 -0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -18.030 0.286 -2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -19.168 -0.633 -1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -19.089 -0.939 -2.868 1.00 0.00 H new ATOM 1156 N ARG A 80 -23.717 -1.506 -2.063 1.00 0.00 N ATOM 1157 CA ARG A 80 -25.098 -1.796 -1.685 1.00 0.00 C ATOM 1158 C ARG A 80 -25.591 -0.684 -0.767 1.00 0.00 C ATOM 1159 O ARG A 80 -24.761 -0.118 -0.049 1.00 0.00 O ATOM 1160 CB ARG A 80 -25.201 -3.095 -0.897 1.00 0.00 C ATOM 1161 CG ARG A 80 -24.732 -4.290 -1.706 1.00 0.00 C ATOM 1162 CD ARG A 80 -25.159 -5.548 -0.965 1.00 0.00 C ATOM 1163 NE ARG A 80 -26.538 -5.936 -1.296 1.00 0.00 N ATOM 1164 CZ ARG A 80 -26.916 -6.587 -2.402 1.00 0.00 C ATOM 1165 NH1 ARG A 80 -26.024 -6.914 -3.335 1.00 0.00 N ATOM 1166 NH2 ARG A 80 -28.196 -6.892 -2.569 1.00 0.00 N ATOM 0 H ARG A 80 -23.091 -1.512 -1.257 1.00 0.00 H new ATOM 0 HA ARG A 80 -25.686 -1.876 -2.599 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -24.604 -3.016 0.012 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -26.235 -3.250 -0.587 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -25.166 -4.269 -2.706 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -23.649 -4.267 -1.828 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -24.482 -6.365 -1.215 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -25.076 -5.383 0.109 1.00 0.00 H new ATOM 0 HE ARG A 80 -27.267 -5.688 -0.627 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -25.042 -6.668 -3.210 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -26.323 -7.410 -4.175 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -28.880 -6.630 -1.859 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -28.497 -7.388 -3.408 1.00 0.00 H new ATOM 1180 N PRO A 81 -26.903 -0.430 -0.683 1.00 0.00 N ATOM 1181 CA PRO A 81 -27.459 0.556 0.227 1.00 0.00 C ATOM 1182 C PRO A 81 -27.613 0.000 1.643 1.00 0.00 C ATOM 1183 O PRO A 81 -27.680 -1.219 1.839 1.00 0.00 O ATOM 1184 CB PRO A 81 -28.755 0.980 -0.457 1.00 0.00 C ATOM 1185 CG PRO A 81 -29.211 -0.240 -1.257 1.00 0.00 C ATOM 1186 CD PRO A 81 -27.943 -1.050 -1.488 1.00 0.00 C ATOM 0 HA PRO A 81 -26.817 1.421 0.395 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -29.508 1.273 0.275 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -28.592 1.839 -1.109 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -29.955 -0.818 -0.708 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -29.670 0.055 -2.201 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -28.089 -2.090 -1.198 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -27.669 -1.049 -2.543 1.00 0.00 H new ATOM 1194 N ASN A 82 -27.645 0.907 2.630 1.00 0.00 N ATOM 1195 CA ASN A 82 -27.698 0.648 4.078 1.00 0.00 C ATOM 1196 C ASN A 82 -26.743 -0.478 4.516 1.00 0.00 C ATOM 1197 O ASN A 82 -27.063 -1.294 5.383 1.00 0.00 O ATOM 1198 CB ASN A 82 -29.157 0.393 4.495 1.00 0.00 C ATOM 1199 CG ASN A 82 -29.376 0.429 6.007 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -28.539 0.887 6.784 1.00 0.00 O ATOM 1201 ND2 ASN A 82 -30.518 -0.063 6.455 1.00 0.00 N ATOM 0 H ASN A 82 -27.634 1.906 2.426 1.00 0.00 H new ATOM 0 HA ASN A 82 -27.339 1.533 4.604 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -29.796 1.141 4.026 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -29.471 -0.579 4.114 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -30.714 -0.066 7.456 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -31.203 -0.440 5.800 1.00 0.00 H new ATOM 1208 N THR A 83 -25.563 -0.559 3.902 1.00 0.00 N ATOM 1209 CA THR A 83 -24.570 -1.612 4.088 1.00 0.00 C ATOM 1210 C THR A 83 -23.281 -0.946 4.549 1.00 0.00 C ATOM 1211 O THR A 83 -22.872 0.086 4.008 1.00 0.00 O ATOM 1212 CB THR A 83 -24.466 -2.436 2.789 1.00 0.00 C ATOM 1213 OG1 THR A 83 -25.713 -3.063 2.533 1.00 0.00 O ATOM 1214 CG2 THR A 83 -23.411 -3.537 2.853 1.00 0.00 C ATOM 0 H THR A 83 -25.260 0.144 3.228 1.00 0.00 H new ATOM 0 HA THR A 83 -24.840 -2.334 4.859 1.00 0.00 H new ATOM 0 HB THR A 83 -24.182 -1.735 2.004 1.00 0.00 H new ATOM 0 HG1 THR A 83 -26.374 -2.385 2.279 1.00 0.00 H new ATOM 0 HG21 THR A 83 -23.391 -4.077 1.907 1.00 0.00 H new ATOM 0 HG22 THR A 83 -22.433 -3.093 3.038 1.00 0.00 H new ATOM 0 HG23 THR A 83 -23.655 -4.228 3.660 1.00 0.00 H new ATOM 1222 N ILE A 84 -22.700 -1.497 5.615 1.00 0.00 N ATOM 1223 CA ILE A 84 -21.414 -1.068 6.122 1.00 0.00 C ATOM 1224 C ILE A 84 -20.336 -1.463 5.127 1.00 0.00 C ATOM 1225 O ILE A 84 -20.413 -2.534 4.518 1.00 0.00 O ATOM 1226 CB ILE A 84 -21.141 -1.696 7.502 1.00 0.00 C ATOM 1227 CG1 ILE A 84 -22.084 -1.175 8.603 1.00 0.00 C ATOM 1228 CG2 ILE A 84 -19.677 -1.542 7.995 1.00 0.00 C ATOM 1229 CD1 ILE A 84 -22.125 0.343 8.792 1.00 0.00 C ATOM 0 H ILE A 84 -23.119 -2.259 6.149 1.00 0.00 H new ATOM 0 HA ILE A 84 -21.412 0.015 6.245 1.00 0.00 H new ATOM 0 HB ILE A 84 -21.334 -2.755 7.331 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -23.094 -1.520 8.381 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -21.792 -1.631 9.549 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -19.571 -2.011 8.973 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -19.002 -2.023 7.287 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -19.428 -0.484 8.072 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -22.822 0.591 9.593 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -21.130 0.704 9.052 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -22.452 0.816 7.866 1.00 0.00 H new ATOM 1241 N TYR A 85 -19.278 -0.661 5.072 1.00 0.00 N ATOM 1242 CA TYR A 85 -18.057 -1.007 4.369 1.00 0.00 C ATOM 1243 C TYR A 85 -16.839 -0.567 5.139 1.00 0.00 C ATOM 1244 O TYR A 85 -16.824 0.475 5.801 1.00 0.00 O ATOM 1245 CB TYR A 85 -18.032 -0.364 2.977 1.00 0.00 C ATOM 1246 CG TYR A 85 -19.055 -0.969 2.053 1.00 0.00 C ATOM 1247 CD1 TYR A 85 -18.763 -2.192 1.427 1.00 0.00 C ATOM 1248 CD2 TYR A 85 -20.321 -0.375 1.904 1.00 0.00 C ATOM 1249 CE1 TYR A 85 -19.743 -2.835 0.660 1.00 0.00 C ATOM 1250 CE2 TYR A 85 -21.310 -1.016 1.142 1.00 0.00 C ATOM 1251 CZ TYR A 85 -21.019 -2.249 0.520 1.00 0.00 C ATOM 1252 OH TYR A 85 -21.969 -2.867 -0.223 1.00 0.00 O ATOM 0 H TYR A 85 -19.248 0.255 5.520 1.00 0.00 H new ATOM 0 HA TYR A 85 -18.038 -2.092 4.269 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -18.216 0.706 3.070 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -17.039 -0.480 2.543 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -17.785 -2.636 1.537 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -20.532 0.573 2.375 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -19.523 -3.776 0.178 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -22.287 -0.569 1.032 1.00 0.00 H new ATOM 0 HH TYR A 85 -21.552 -3.560 -0.777 1.00 0.00 H new ATOM 1262 N LEU A 86 -15.785 -1.349 4.955 1.00 0.00 N ATOM 1263 CA LEU A 86 -14.413 -0.935 5.150 1.00 0.00 C ATOM 1264 C LEU A 86 -13.770 -0.809 3.807 1.00 0.00 C ATOM 1265 O LEU A 86 -14.310 -1.351 2.848 1.00 0.00 O ATOM 1266 CB LEU A 86 -13.647 -1.903 6.049 1.00 0.00 C ATOM 1267 CG LEU A 86 -14.286 -2.075 7.425 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -13.844 -3.397 8.016 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -13.916 -0.935 8.371 1.00 0.00 C ATOM 0 H LEU A 86 -15.870 -2.320 4.656 1.00 0.00 H new ATOM 0 HA LEU A 86 -14.394 0.027 5.662 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.587 -2.875 5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -12.625 -1.544 6.172 1.00 0.00 H new ATOM 0 HG LEU A 86 -15.369 -2.059 7.301 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -14.297 -3.526 8.999 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.158 -4.211 7.362 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.758 -3.407 8.113 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -14.391 -1.096 9.339 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.834 -0.905 8.499 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -14.258 0.011 7.952 1.00 0.00 H new ATOM 1281 N PHE A 87 -12.642 -0.104 3.767 1.00 0.00 N ATOM 1282 CA PHE A 87 -11.886 0.137 2.560 1.00 0.00 C ATOM 1283 C PHE A 87 -10.395 -0.065 2.815 1.00 0.00 C ATOM 1284 O PHE A 87 -9.962 -0.121 3.968 1.00 0.00 O ATOM 1285 CB PHE A 87 -12.192 1.536 2.012 1.00 0.00 C ATOM 1286 CG PHE A 87 -13.638 1.788 1.656 1.00 0.00 C ATOM 1287 CD1 PHE A 87 -14.245 1.026 0.646 1.00 0.00 C ATOM 1288 CD2 PHE A 87 -14.367 2.801 2.299 1.00 0.00 C ATOM 1289 CE1 PHE A 87 -15.600 1.209 0.329 1.00 0.00 C ATOM 1290 CE2 PHE A 87 -15.701 3.032 1.932 1.00 0.00 C ATOM 1291 CZ PHE A 87 -16.333 2.208 0.982 1.00 0.00 C ATOM 0 H PHE A 87 -12.227 0.321 4.596 1.00 0.00 H new ATOM 0 HA PHE A 87 -12.185 -0.585 1.800 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -11.884 2.274 2.753 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -11.582 1.702 1.124 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -13.664 0.292 0.108 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -13.904 3.398 3.071 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -16.074 0.584 -0.413 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -16.247 3.848 2.382 1.00 0.00 H new ATOM 0 HZ PHE A 87 -17.380 2.346 0.757 1.00 0.00 H new ATOM 1301 N MET A 88 -9.601 -0.146 1.747 1.00 0.00 N ATOM 1302 CA MET A 88 -8.175 0.136 1.793 1.00 0.00 C ATOM 1303 C MET A 88 -7.811 1.026 0.610 1.00 0.00 C ATOM 1304 O MET A 88 -8.629 1.194 -0.295 1.00 0.00 O ATOM 1305 CB MET A 88 -7.346 -1.150 1.757 1.00 0.00 C ATOM 1306 CG MET A 88 -7.698 -2.229 2.768 1.00 0.00 C ATOM 1307 SD MET A 88 -6.585 -3.643 2.552 1.00 0.00 S ATOM 1308 CE MET A 88 -6.562 -4.212 4.254 1.00 0.00 C ATOM 0 H MET A 88 -9.937 -0.412 0.821 1.00 0.00 H new ATOM 0 HA MET A 88 -7.949 0.644 2.731 1.00 0.00 H new ATOM 0 HB2 MET A 88 -7.432 -1.580 0.759 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.299 -0.882 1.899 1.00 0.00 H new ATOM 0 HG2 MET A 88 -7.612 -1.836 3.781 1.00 0.00 H new ATOM 0 HG3 MET A 88 -8.733 -2.543 2.635 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.500 -5.300 4.273 1.00 0.00 H new ATOM 0 HE2 MET A 88 -5.698 -3.790 4.767 1.00 0.00 H new ATOM 0 HE3 MET A 88 -7.475 -3.892 4.757 1.00 0.00 H new ATOM 1318 N VAL A 89 -6.603 1.584 0.598 1.00 0.00 N ATOM 1319 CA VAL A 89 -5.976 2.161 -0.580 1.00 0.00 C ATOM 1320 C VAL A 89 -4.564 1.585 -0.605 1.00 0.00 C ATOM 1321 O VAL A 89 -3.732 1.958 0.223 1.00 0.00 O ATOM 1322 CB VAL A 89 -5.921 3.697 -0.484 1.00 0.00 C ATOM 1323 CG1 VAL A 89 -5.205 4.316 -1.685 1.00 0.00 C ATOM 1324 CG2 VAL A 89 -7.306 4.325 -0.443 1.00 0.00 C ATOM 0 H VAL A 89 -6.020 1.647 1.433 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.536 1.925 -1.485 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.382 3.900 0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.188 5.401 -1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.183 3.940 -1.733 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.733 4.049 -2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.212 5.409 -0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.851 4.064 -1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -7.849 3.953 0.426 1.00 0.00 H new ATOM 1334 N ARG A 90 -4.239 0.695 -1.535 1.00 0.00 N ATOM 1335 CA ARG A 90 -2.840 0.315 -1.756 1.00 0.00 C ATOM 1336 C ARG A 90 -2.305 1.263 -2.810 1.00 0.00 C ATOM 1337 O ARG A 90 -3.008 1.542 -3.783 1.00 0.00 O ATOM 1338 CB ARG A 90 -2.710 -1.169 -2.161 1.00 0.00 C ATOM 1339 CG ARG A 90 -2.757 -2.065 -0.915 1.00 0.00 C ATOM 1340 CD ARG A 90 -3.122 -3.516 -1.241 1.00 0.00 C ATOM 1341 NE ARG A 90 -3.046 -4.328 -0.019 1.00 0.00 N ATOM 1342 CZ ARG A 90 -3.852 -5.310 0.394 1.00 0.00 C ATOM 1343 NH1 ARG A 90 -4.847 -5.758 -0.352 1.00 0.00 N ATOM 1344 NH2 ARG A 90 -3.652 -5.834 1.596 1.00 0.00 N ATOM 0 H ARG A 90 -4.911 0.226 -2.143 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.254 0.402 -0.841 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.516 -1.439 -2.843 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.774 -1.327 -2.696 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.786 -2.042 -0.420 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.484 -1.662 -0.210 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.127 -3.564 -1.660 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.443 -3.912 -1.996 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.267 -4.111 0.603 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.017 -5.352 -1.272 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.445 -6.509 -0.007 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -2.895 -5.486 2.184 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.255 -6.585 1.932 1.00 0.00 H new ATOM 1358 N ALA A 91 -1.063 1.716 -2.670 1.00 0.00 N ATOM 1359 CA ALA A 91 -0.369 2.396 -3.753 1.00 0.00 C ATOM 1360 C ALA A 91 0.265 1.300 -4.603 1.00 0.00 C ATOM 1361 O ALA A 91 0.644 0.257 -4.069 1.00 0.00 O ATOM 1362 CB ALA A 91 0.715 3.322 -3.189 1.00 0.00 C ATOM 0 H ALA A 91 -0.517 1.623 -1.814 1.00 0.00 H new ATOM 0 HA ALA A 91 -1.051 3.011 -4.339 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.227 3.825 -4.009 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.256 4.066 -2.538 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.434 2.735 -2.618 1.00 0.00 H new ATOM 1368 N ILE A 92 0.382 1.527 -5.908 1.00 0.00 N ATOM 1369 CA ILE A 92 1.026 0.607 -6.834 1.00 0.00 C ATOM 1370 C ILE A 92 2.297 1.265 -7.288 1.00 0.00 C ATOM 1371 O ILE A 92 2.363 2.485 -7.435 1.00 0.00 O ATOM 1372 CB ILE A 92 0.090 0.207 -8.002 1.00 0.00 C ATOM 1373 CG1 ILE A 92 -0.313 -1.253 -7.749 1.00 0.00 C ATOM 1374 CG2 ILE A 92 0.676 0.335 -9.416 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -1.423 -1.733 -8.672 1.00 0.00 C ATOM 0 H ILE A 92 0.025 2.370 -6.357 1.00 0.00 H new ATOM 0 HA ILE A 92 1.259 -0.339 -6.345 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.744 0.909 -8.000 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.560 -1.892 -7.877 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.637 -1.360 -6.714 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.070 0.027 -10.148 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.959 1.371 -9.600 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.556 -0.303 -9.504 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.663 -2.772 -8.444 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.310 -1.116 -8.527 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.093 -1.656 -9.708 1.00 0.00 H new ATOM 1387 N ASN A 93 3.296 0.442 -7.549 1.00 0.00 N ATOM 1388 CA ASN A 93 4.636 0.872 -7.894 1.00 0.00 C ATOM 1389 C ASN A 93 5.270 -0.214 -8.775 1.00 0.00 C ATOM 1390 O ASN A 93 4.708 -1.304 -8.887 1.00 0.00 O ATOM 1391 CB ASN A 93 5.382 1.200 -6.584 1.00 0.00 C ATOM 1392 CG ASN A 93 6.649 0.412 -6.354 1.00 0.00 C ATOM 1393 OD1 ASN A 93 6.631 -0.807 -6.351 1.00 0.00 O ATOM 1394 ND2 ASN A 93 7.756 1.083 -6.140 1.00 0.00 N ATOM 0 H ASN A 93 3.193 -0.573 -7.526 1.00 0.00 H new ATOM 0 HA ASN A 93 4.669 1.786 -8.487 1.00 0.00 H new ATOM 0 HB2 ASN A 93 5.627 2.262 -6.580 1.00 0.00 H new ATOM 0 HB3 ASN A 93 4.707 1.026 -5.746 1.00 0.00 H new ATOM 0 HD21 ASN A 93 8.629 0.585 -5.966 1.00 0.00 H new ATOM 0 HD22 ASN A 93 7.744 2.103 -6.148 1.00 0.00 H new ATOM 1401 N PRO A 94 6.383 0.059 -9.469 1.00 0.00 N ATOM 1402 CA PRO A 94 6.937 -0.892 -10.420 1.00 0.00 C ATOM 1403 C PRO A 94 7.410 -2.221 -9.815 1.00 0.00 C ATOM 1404 O PRO A 94 7.506 -3.197 -10.558 1.00 0.00 O ATOM 1405 CB PRO A 94 8.065 -0.159 -11.148 1.00 0.00 C ATOM 1406 CG PRO A 94 7.760 1.319 -10.918 1.00 0.00 C ATOM 1407 CD PRO A 94 7.038 1.346 -9.577 1.00 0.00 C ATOM 0 HA PRO A 94 6.147 -1.210 -11.100 1.00 0.00 H new ATOM 0 HB2 PRO A 94 9.041 -0.431 -10.747 1.00 0.00 H new ATOM 0 HB3 PRO A 94 8.078 -0.403 -12.210 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.672 1.915 -10.891 1.00 0.00 H new ATOM 0 HG3 PRO A 94 7.137 1.726 -11.714 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.738 1.501 -8.756 1.00 0.00 H new ATOM 0 HD3 PRO A 94 6.314 2.160 -9.536 1.00 0.00 H new ATOM 1415 N GLN A 95 7.690 -2.287 -8.513 1.00 0.00 N ATOM 1416 CA GLN A 95 8.157 -3.478 -7.807 1.00 0.00 C ATOM 1417 C GLN A 95 6.996 -4.253 -7.188 1.00 0.00 C ATOM 1418 O GLN A 95 6.992 -5.482 -7.247 1.00 0.00 O ATOM 1419 CB GLN A 95 9.173 -3.049 -6.731 1.00 0.00 C ATOM 1420 CG GLN A 95 10.545 -2.762 -7.365 1.00 0.00 C ATOM 1421 CD GLN A 95 11.363 -4.029 -7.605 1.00 0.00 C ATOM 1422 OE1 GLN A 95 11.076 -4.799 -8.524 1.00 0.00 O ATOM 1423 NE2 GLN A 95 12.384 -4.295 -6.808 1.00 0.00 N ATOM 0 H GLN A 95 7.593 -1.479 -7.898 1.00 0.00 H new ATOM 0 HA GLN A 95 8.639 -4.149 -8.518 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.811 -2.159 -6.216 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.270 -3.834 -5.981 1.00 0.00 H new ATOM 0 HG2 GLN A 95 10.401 -2.243 -8.313 1.00 0.00 H new ATOM 0 HG3 GLN A 95 11.107 -2.090 -6.716 1.00 0.00 H new ATOM 0 HE21 GLN A 95 12.618 -3.655 -6.049 1.00 0.00 H new ATOM 0 HE22 GLN A 95 12.937 -5.140 -6.953 1.00 0.00 H new ATOM 1432 N GLY A 96 5.989 -3.576 -6.643 1.00 0.00 N ATOM 1433 CA GLY A 96 4.877 -4.215 -5.958 1.00 0.00 C ATOM 1434 C GLY A 96 3.749 -3.233 -5.689 1.00 0.00 C ATOM 1435 O GLY A 96 3.514 -2.285 -6.443 1.00 0.00 O ATOM 0 H GLY A 96 5.924 -2.558 -6.667 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.504 -5.043 -6.561 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.224 -4.639 -5.016 1.00 0.00 H new ATOM 1439 N LEU A 97 3.032 -3.485 -4.602 1.00 0.00 N ATOM 1440 CA LEU A 97 2.008 -2.633 -4.032 1.00 0.00 C ATOM 1441 C LEU A 97 2.424 -2.367 -2.580 1.00 0.00 C ATOM 1442 O LEU A 97 3.214 -3.123 -2.017 1.00 0.00 O ATOM 1443 CB LEU A 97 0.646 -3.328 -4.177 1.00 0.00 C ATOM 1444 CG LEU A 97 0.515 -4.669 -3.419 1.00 0.00 C ATOM 1445 CD1 LEU A 97 0.106 -4.458 -1.956 1.00 0.00 C ATOM 1446 CD2 LEU A 97 -0.492 -5.561 -4.145 1.00 0.00 C ATOM 0 H LEU A 97 3.161 -4.343 -4.065 1.00 0.00 H new ATOM 0 HA LEU A 97 1.907 -1.674 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.131 -2.650 -3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.456 -3.506 -5.236 1.00 0.00 H new ATOM 0 HG LEU A 97 1.489 -5.157 -3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.025 -5.424 -1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.859 -3.852 -1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.856 -3.948 -1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.588 -6.508 -3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.461 -5.064 -4.178 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.146 -5.748 -5.161 1.00 0.00 H new ATOM 1458 N SER A 98 1.948 -1.277 -1.991 1.00 0.00 N ATOM 1459 CA SER A 98 2.405 -0.796 -0.693 1.00 0.00 C ATOM 1460 C SER A 98 1.843 -1.620 0.478 1.00 0.00 C ATOM 1461 O SER A 98 0.880 -2.377 0.323 1.00 0.00 O ATOM 1462 CB SER A 98 2.050 0.692 -0.568 1.00 0.00 C ATOM 1463 OG SER A 98 0.651 0.901 -0.408 1.00 0.00 O ATOM 0 H SER A 98 1.223 -0.693 -2.408 1.00 0.00 H new ATOM 0 HA SER A 98 3.487 -0.919 -0.636 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.579 1.119 0.284 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.395 1.222 -1.456 1.00 0.00 H new ATOM 0 HG SER A 98 0.375 0.598 0.482 1.00 0.00 H new ATOM 1469 N ASP A 99 2.405 -1.422 1.676 1.00 0.00 N ATOM 1470 CA ASP A 99 1.750 -1.816 2.932 1.00 0.00 C ATOM 1471 C ASP A 99 0.318 -1.248 3.014 1.00 0.00 C ATOM 1472 O ASP A 99 -0.029 -0.314 2.275 1.00 0.00 O ATOM 1473 CB ASP A 99 2.537 -1.307 4.156 1.00 0.00 C ATOM 1474 CG ASP A 99 3.065 -2.360 5.127 1.00 0.00 C ATOM 1475 OD1 ASP A 99 3.229 -3.544 4.748 1.00 0.00 O ATOM 1476 OD2 ASP A 99 3.250 -1.964 6.299 1.00 0.00 O ATOM 0 H ASP A 99 3.319 -0.988 1.804 1.00 0.00 H new ATOM 0 HA ASP A 99 1.719 -2.906 2.940 1.00 0.00 H new ATOM 0 HB2 ASP A 99 3.384 -0.724 3.795 1.00 0.00 H new ATOM 0 HB3 ASP A 99 1.894 -0.625 4.712 1.00 0.00 H new ATOM 1481 N PRO A 100 -0.511 -1.767 3.936 1.00 0.00 N ATOM 1482 CA PRO A 100 -1.902 -1.387 4.038 1.00 0.00 C ATOM 1483 C PRO A 100 -2.042 -0.066 4.806 1.00 0.00 C ATOM 1484 O PRO A 100 -1.571 0.070 5.943 1.00 0.00 O ATOM 1485 CB PRO A 100 -2.587 -2.562 4.739 1.00 0.00 C ATOM 1486 CG PRO A 100 -1.491 -3.071 5.669 1.00 0.00 C ATOM 1487 CD PRO A 100 -0.205 -2.811 4.902 1.00 0.00 C ATOM 0 HA PRO A 100 -2.364 -1.202 3.068 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.473 -2.246 5.290 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.907 -3.327 4.031 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.500 -2.543 6.623 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.616 -4.131 5.890 1.00 0.00 H new ATOM 0 HD2 PRO A 100 0.593 -2.497 5.575 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.139 -3.716 4.401 1.00 0.00 H new ATOM 1495 N SER A 101 -2.745 0.891 4.204 1.00 0.00 N ATOM 1496 CA SER A 101 -3.295 2.076 4.853 1.00 0.00 C ATOM 1497 C SER A 101 -4.068 1.715 6.137 1.00 0.00 C ATOM 1498 O SER A 101 -4.609 0.604 6.232 1.00 0.00 O ATOM 1499 CB SER A 101 -4.214 2.806 3.855 1.00 0.00 C ATOM 1500 OG SER A 101 -5.103 1.914 3.189 1.00 0.00 O ATOM 0 H SER A 101 -2.955 0.859 3.206 1.00 0.00 H new ATOM 0 HA SER A 101 -2.474 2.729 5.149 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.792 3.564 4.384 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.604 3.327 3.117 1.00 0.00 H new ATOM 0 HG SER A 101 -6.029 2.171 3.381 1.00 0.00 H new ATOM 1506 N PRO A 102 -4.209 2.639 7.102 1.00 0.00 N ATOM 1507 CA PRO A 102 -5.182 2.517 8.177 1.00 0.00 C ATOM 1508 C PRO A 102 -6.586 2.424 7.562 1.00 0.00 C ATOM 1509 O PRO A 102 -6.948 3.316 6.792 1.00 0.00 O ATOM 1510 CB PRO A 102 -5.031 3.782 9.035 1.00 0.00 C ATOM 1511 CG PRO A 102 -3.750 4.450 8.558 1.00 0.00 C ATOM 1512 CD PRO A 102 -3.584 3.944 7.130 1.00 0.00 C ATOM 0 HA PRO A 102 -5.027 1.627 8.787 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.888 4.444 8.911 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -4.972 3.532 10.094 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -3.830 5.537 8.590 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -2.899 4.174 9.181 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.057 4.620 6.418 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -2.531 3.880 6.857 1.00 0.00 H new ATOM 1520 N MET A 103 -7.367 1.374 7.857 1.00 0.00 N ATOM 1521 CA MET A 103 -8.752 1.289 7.404 1.00 0.00 C ATOM 1522 C MET A 103 -9.526 2.520 7.864 1.00 0.00 C ATOM 1523 O MET A 103 -9.594 2.804 9.062 1.00 0.00 O ATOM 1524 CB MET A 103 -9.435 0.019 7.913 1.00 0.00 C ATOM 1525 CG MET A 103 -9.064 -1.195 7.062 1.00 0.00 C ATOM 1526 SD MET A 103 -7.574 -2.099 7.537 1.00 0.00 S ATOM 1527 CE MET A 103 -8.248 -2.983 8.974 1.00 0.00 C ATOM 0 H MET A 103 -7.057 0.574 8.408 1.00 0.00 H new ATOM 0 HA MET A 103 -8.746 1.249 6.315 1.00 0.00 H new ATOM 0 HB2 MET A 103 -9.148 -0.160 8.949 1.00 0.00 H new ATOM 0 HB3 MET A 103 -10.516 0.156 7.901 1.00 0.00 H new ATOM 0 HG2 MET A 103 -9.903 -1.891 7.079 1.00 0.00 H new ATOM 0 HG3 MET A 103 -8.946 -0.863 6.031 1.00 0.00 H new ATOM 0 HE1 MET A 103 -7.505 -3.001 9.771 1.00 0.00 H new ATOM 0 HE2 MET A 103 -9.146 -2.474 9.326 1.00 0.00 H new ATOM 0 HE3 MET A 103 -8.498 -4.005 8.688 1.00 0.00 H new ATOM 1537 N SER A 104 -10.139 3.215 6.911 1.00 0.00 N ATOM 1538 CA SER A 104 -10.847 4.486 7.042 1.00 0.00 C ATOM 1539 C SER A 104 -11.962 4.512 8.098 1.00 0.00 C ATOM 1540 O SER A 104 -12.348 5.591 8.555 1.00 0.00 O ATOM 1541 CB SER A 104 -11.350 4.853 5.651 1.00 0.00 C ATOM 1542 OG SER A 104 -12.400 4.027 5.204 1.00 0.00 O ATOM 0 H SER A 104 -10.155 2.877 5.949 1.00 0.00 H new ATOM 0 HA SER A 104 -10.151 5.232 7.426 1.00 0.00 H new ATOM 0 HB2 SER A 104 -11.689 5.889 5.656 1.00 0.00 H new ATOM 0 HB3 SER A 104 -10.522 4.791 4.945 1.00 0.00 H new ATOM 0 HG SER A 104 -12.787 4.404 4.386 1.00 0.00 H new ATOM 1548 N ASP A 105 -12.386 3.326 8.535 1.00 0.00 N ATOM 1549 CA ASP A 105 -13.245 2.930 9.656 1.00 0.00 C ATOM 1550 C ASP A 105 -14.703 2.842 9.181 1.00 0.00 C ATOM 1551 O ASP A 105 -15.072 3.586 8.266 1.00 0.00 O ATOM 1552 CB ASP A 105 -13.063 3.862 10.860 1.00 0.00 C ATOM 1553 CG ASP A 105 -12.992 3.130 12.189 1.00 0.00 C ATOM 1554 OD1 ASP A 105 -12.135 2.224 12.330 1.00 0.00 O ATOM 1555 OD2 ASP A 105 -13.709 3.535 13.126 1.00 0.00 O ATOM 0 H ASP A 105 -12.087 2.491 8.031 1.00 0.00 H new ATOM 0 HA ASP A 105 -12.950 1.940 10.004 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.150 4.443 10.725 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -13.890 4.571 10.889 1.00 0.00 H new ATOM 1560 N PRO A 106 -15.530 1.923 9.719 1.00 0.00 N ATOM 1561 CA PRO A 106 -16.681 1.366 9.013 1.00 0.00 C ATOM 1562 C PRO A 106 -17.691 2.457 8.654 1.00 0.00 C ATOM 1563 O PRO A 106 -18.342 3.011 9.545 1.00 0.00 O ATOM 1564 CB PRO A 106 -17.264 0.264 9.904 1.00 0.00 C ATOM 1565 CG PRO A 106 -16.682 0.532 11.285 1.00 0.00 C ATOM 1566 CD PRO A 106 -15.370 1.255 10.998 1.00 0.00 C ATOM 0 HA PRO A 106 -16.390 0.933 8.056 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -18.353 0.303 9.919 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -16.985 -0.726 9.543 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -17.352 1.145 11.888 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -16.515 -0.394 11.835 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -15.145 1.975 11.785 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -14.539 0.550 10.965 1.00 0.00 H new ATOM 1574 N VAL A 107 -17.773 2.798 7.367 1.00 0.00 N ATOM 1575 CA VAL A 107 -18.783 3.707 6.841 1.00 0.00 C ATOM 1576 C VAL A 107 -20.064 2.905 6.660 1.00 0.00 C ATOM 1577 O VAL A 107 -20.019 1.675 6.655 1.00 0.00 O ATOM 1578 CB VAL A 107 -18.295 4.339 5.515 1.00 0.00 C ATOM 1579 CG1 VAL A 107 -18.176 3.329 4.362 1.00 0.00 C ATOM 1580 CG2 VAL A 107 -19.128 5.533 5.033 1.00 0.00 C ATOM 0 H VAL A 107 -17.132 2.445 6.656 1.00 0.00 H new ATOM 0 HA VAL A 107 -18.969 4.534 7.526 1.00 0.00 H new ATOM 0 HB VAL A 107 -17.302 4.703 5.779 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -17.829 3.841 3.464 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -17.464 2.549 4.633 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -19.150 2.880 4.170 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -18.714 5.912 4.098 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -20.158 5.216 4.872 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -19.104 6.321 5.786 1.00 0.00 H new ATOM 1590 N ARG A 108 -21.175 3.579 6.392 1.00 0.00 N ATOM 1591 CA ARG A 108 -22.418 3.006 5.921 1.00 0.00 C ATOM 1592 C ARG A 108 -22.832 3.748 4.661 1.00 0.00 C ATOM 1593 O ARG A 108 -22.564 4.941 4.545 1.00 0.00 O ATOM 1594 CB ARG A 108 -23.447 3.246 7.017 1.00 0.00 C ATOM 1595 CG ARG A 108 -24.696 2.380 6.865 1.00 0.00 C ATOM 1596 CD ARG A 108 -25.814 3.091 7.614 1.00 0.00 C ATOM 1597 NE ARG A 108 -26.616 2.162 8.410 1.00 0.00 N ATOM 1598 CZ ARG A 108 -26.368 1.825 9.680 1.00 0.00 C ATOM 1599 NH1 ARG A 108 -25.317 2.286 10.350 1.00 0.00 N ATOM 1600 NH2 ARG A 108 -27.175 0.991 10.304 1.00 0.00 N ATOM 0 H ARG A 108 -21.231 4.591 6.505 1.00 0.00 H new ATOM 0 HA ARG A 108 -22.327 1.943 5.700 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -22.990 3.047 7.986 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -23.737 4.297 7.011 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -24.954 2.254 5.814 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -24.528 1.384 7.274 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -25.387 3.852 8.267 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -26.457 3.607 6.901 1.00 0.00 H new ATOM 0 HE ARG A 108 -27.428 1.738 7.961 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -24.662 2.923 9.896 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -25.165 2.003 11.318 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -27.985 0.605 9.818 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -26.990 0.731 11.273 1.00 0.00 H new ATOM 1614 N THR A 109 -23.494 3.094 3.721 1.00 0.00 N ATOM 1615 CA THR A 109 -24.175 3.791 2.640 1.00 0.00 C ATOM 1616 C THR A 109 -25.493 4.409 3.129 1.00 0.00 C ATOM 1617 O THR A 109 -25.979 4.122 4.231 1.00 0.00 O ATOM 1618 CB THR A 109 -24.369 2.806 1.483 1.00 0.00 C ATOM 1619 OG1 THR A 109 -24.759 1.531 1.964 1.00 0.00 O ATOM 1620 CG2 THR A 109 -23.074 2.633 0.681 1.00 0.00 C ATOM 0 H THR A 109 -23.575 2.078 3.684 1.00 0.00 H new ATOM 0 HA THR A 109 -23.574 4.628 2.284 1.00 0.00 H new ATOM 0 HB THR A 109 -25.149 3.220 0.843 1.00 0.00 H new ATOM 0 HG1 THR A 109 -24.587 0.855 1.276 1.00 0.00 H new ATOM 0 HG21 THR A 109 -23.242 1.928 -0.134 1.00 0.00 H new ATOM 0 HG22 THR A 109 -22.769 3.596 0.271 1.00 0.00 H new ATOM 0 HG23 THR A 109 -22.289 2.252 1.335 1.00 0.00 H new ATOM 1628 N GLN A 110 -26.083 5.280 2.307 1.00 0.00 N ATOM 1629 CA GLN A 110 -27.435 5.784 2.525 1.00 0.00 C ATOM 1630 C GLN A 110 -28.466 4.726 2.110 1.00 0.00 C ATOM 1631 O GLN A 110 -28.111 3.633 1.657 1.00 0.00 O ATOM 1632 CB GLN A 110 -27.647 7.126 1.805 1.00 0.00 C ATOM 1633 CG GLN A 110 -26.608 8.179 2.230 1.00 0.00 C ATOM 1634 CD GLN A 110 -27.131 9.603 2.041 1.00 0.00 C ATOM 1635 OE1 GLN A 110 -28.147 9.972 2.617 1.00 0.00 O ATOM 1636 NE2 GLN A 110 -26.469 10.430 1.253 1.00 0.00 N ATOM 0 H GLN A 110 -25.634 5.654 1.471 1.00 0.00 H new ATOM 0 HA GLN A 110 -27.575 5.978 3.588 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -27.588 6.973 0.727 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -28.649 7.498 2.019 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -26.342 8.026 3.276 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -25.697 8.046 1.647 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -25.624 10.114 0.777 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -26.803 11.385 1.120 1.00 0.00 H new ATOM 1645 N ASP A 111 -29.746 5.043 2.291 1.00 0.00 N ATOM 1646 CA ASP A 111 -30.864 4.231 1.812 1.00 0.00 C ATOM 1647 C ASP A 111 -31.116 4.493 0.321 1.00 0.00 C ATOM 1648 O ASP A 111 -30.593 5.459 -0.240 1.00 0.00 O ATOM 1649 CB ASP A 111 -32.105 4.492 2.679 1.00 0.00 C ATOM 1650 CG ASP A 111 -33.219 5.249 1.962 1.00 0.00 C ATOM 1651 OD1 ASP A 111 -33.212 6.497 2.031 1.00 0.00 O ATOM 1652 OD2 ASP A 111 -34.091 4.561 1.388 1.00 0.00 O ATOM 0 H ASP A 111 -30.041 5.886 2.783 1.00 0.00 H new ATOM 0 HA ASP A 111 -30.619 3.173 1.906 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -32.497 3.537 3.030 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -31.806 5.058 3.561 1.00 0.00 H new