USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 765 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 26 THR OG1 : rot 103:sc= 1.21 USER MOD Set 1.2: A 29 HIS : no HE2:sc= -0.278 K(o=0.93,f=-4.7!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.478 K(o=-0.48,f=-3.7!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.291 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0.004 (180deg=0.004) USER MOD Single : A 39 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.21) USER MOD Single : A 66 CYS SG : rot -167:sc= 0.367 USER MOD Single : A 72 THR OG1 : rot 150:sc= 0.342 USER MOD Single : A 74 CYS SG : rot 84:sc= -5.61! USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -2.07! C(o=-2.1!,f=-5!) USER MOD Single : A 83 GLN : amide:sc= -0.727 K(o=-0.73,f=-1.9!) USER MOD Single : A 87 MET CE :methyl -150:sc= -6.83! (180deg=-9.8!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot -50:sc= -0.565 USER MOD Single : A 97 ASN :FLIP amide:sc= -1.07 F(o=-2!,f=-1.1) USER MOD Single : A 98 SER OG : rot -69:sc= -0.452 USER MOD Single : A 102 MET CE :methyl -164:sc= -4.93! (180deg=-7.53!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 119:sc= -0.909! USER MOD Single : A 107 MET CE :methyl 177:sc= 0 (180deg=-0.0275) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 71:sc= -0.43 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN :FLIP amide:sc= -0.683 F(o=-1.5,f=-0.68) USER MOD Single : A 132 ASN : amide:sc= -0.312 K(o=-0.31,f=-9.4!) USER MOD Single : A 134 SER OG : rot 45:sc= -0.713! USER MOD ----------------------------------------------------------------- ATOM 205 N PHE A 16 16.349 -0.426 -6.130 1.00 0.00 N ATOM 206 CA PHE A 16 14.919 -0.329 -5.893 1.00 0.00 C ATOM 207 C PHE A 16 14.388 1.047 -6.299 1.00 0.00 C ATOM 208 O PHE A 16 15.158 1.996 -6.443 1.00 0.00 O ATOM 209 CB PHE A 16 14.700 -0.525 -4.392 1.00 0.00 C ATOM 210 CG PHE A 16 14.923 -1.961 -3.912 1.00 0.00 C ATOM 211 CD1 PHE A 16 16.112 -2.579 -4.145 1.00 0.00 C ATOM 212 CD2 PHE A 16 13.932 -2.619 -3.254 1.00 0.00 C ATOM 213 CE1 PHE A 16 16.318 -3.911 -3.700 1.00 0.00 C ATOM 214 CE2 PHE A 16 14.138 -3.952 -2.809 1.00 0.00 C ATOM 215 CZ PHE A 16 15.327 -4.570 -3.042 1.00 0.00 C ATOM 0 HA PHE A 16 14.392 -1.080 -6.482 1.00 0.00 H new ATOM 0 HB2 PHE A 16 15.373 0.138 -3.848 1.00 0.00 H new ATOM 0 HB3 PHE A 16 13.683 -0.223 -4.141 1.00 0.00 H new ATOM 0 HD1 PHE A 16 16.899 -2.056 -4.668 1.00 0.00 H new ATOM 0 HD2 PHE A 16 12.988 -2.128 -3.070 1.00 0.00 H new ATOM 0 HE1 PHE A 16 17.262 -4.401 -3.884 1.00 0.00 H new ATOM 0 HE2 PHE A 16 13.351 -4.475 -2.286 1.00 0.00 H new ATOM 0 HZ PHE A 16 15.484 -5.584 -2.705 1.00 0.00 H new ATOM 225 N VAL A 17 13.076 1.113 -6.471 1.00 0.00 N ATOM 226 CA VAL A 17 12.433 2.357 -6.858 1.00 0.00 C ATOM 227 C VAL A 17 11.745 2.971 -5.637 1.00 0.00 C ATOM 228 O VAL A 17 11.947 2.516 -4.512 1.00 0.00 O ATOM 229 CB VAL A 17 11.473 2.110 -8.023 1.00 0.00 C ATOM 230 CG1 VAL A 17 12.236 1.985 -9.344 1.00 0.00 C ATOM 231 CG2 VAL A 17 10.609 0.874 -7.770 1.00 0.00 C ATOM 0 H VAL A 17 12.440 0.325 -6.349 1.00 0.00 H new ATOM 0 HA VAL A 17 13.173 3.076 -7.211 1.00 0.00 H new ATOM 0 HB VAL A 17 10.810 2.971 -8.099 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.531 1.810 -10.156 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.787 2.906 -9.534 1.00 0.00 H new ATOM 0 HG13 VAL A 17 12.934 1.150 -9.283 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.936 0.722 -8.614 1.00 0.00 H new ATOM 0 HG22 VAL A 17 11.250 -0.000 -7.654 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.025 1.018 -6.861 1.00 0.00 H new ATOM 241 N LYS A 18 10.947 3.995 -5.900 1.00 0.00 N ATOM 242 CA LYS A 18 10.228 4.676 -4.836 1.00 0.00 C ATOM 243 C LYS A 18 8.751 4.794 -5.219 1.00 0.00 C ATOM 244 O LYS A 18 8.335 4.294 -6.263 1.00 0.00 O ATOM 245 CB LYS A 18 10.890 6.018 -4.516 1.00 0.00 C ATOM 246 CG LYS A 18 12.347 5.824 -4.091 1.00 0.00 C ATOM 247 CD LYS A 18 12.636 6.552 -2.777 1.00 0.00 C ATOM 248 CE LYS A 18 14.121 6.900 -2.659 1.00 0.00 C ATOM 249 NZ LYS A 18 14.750 6.122 -1.568 1.00 0.00 N ATOM 0 H LYS A 18 10.782 4.370 -6.834 1.00 0.00 H new ATOM 0 HA LYS A 18 10.273 4.097 -3.914 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.846 6.667 -5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.339 6.519 -3.720 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.558 4.761 -3.976 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.010 6.197 -4.871 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.040 7.463 -2.723 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.338 5.925 -1.937 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.626 6.690 -3.602 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.237 7.967 -2.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.758 6.370 -1.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.279 6.343 -0.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.656 5.106 -1.768 1.00 0.00 H new ATOM 263 N VAL A 19 8.000 5.458 -4.353 1.00 0.00 N ATOM 264 CA VAL A 19 6.579 5.648 -4.587 1.00 0.00 C ATOM 265 C VAL A 19 6.381 6.742 -5.638 1.00 0.00 C ATOM 266 O VAL A 19 5.572 6.591 -6.553 1.00 0.00 O ATOM 267 CB VAL A 19 5.867 5.952 -3.267 1.00 0.00 C ATOM 268 CG1 VAL A 19 4.375 6.206 -3.495 1.00 0.00 C ATOM 269 CG2 VAL A 19 6.083 4.825 -2.256 1.00 0.00 C ATOM 0 H VAL A 19 8.349 5.871 -3.488 1.00 0.00 H new ATOM 0 HA VAL A 19 6.132 4.735 -4.980 1.00 0.00 H new ATOM 0 HB VAL A 19 6.302 6.861 -2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.892 6.420 -2.541 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.249 7.057 -4.164 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.920 5.322 -3.942 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.567 5.066 -1.327 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.687 3.893 -2.660 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.149 4.712 -2.060 1.00 0.00 H new ATOM 279 N GLU A 20 7.133 7.820 -5.473 1.00 0.00 N ATOM 280 CA GLU A 20 7.051 8.939 -6.396 1.00 0.00 C ATOM 281 C GLU A 20 7.632 8.549 -7.757 1.00 0.00 C ATOM 282 O GLU A 20 7.541 9.312 -8.717 1.00 0.00 O ATOM 283 CB GLU A 20 7.761 10.171 -5.830 1.00 0.00 C ATOM 284 CG GLU A 20 9.279 9.977 -5.831 1.00 0.00 C ATOM 285 CD GLU A 20 10.003 11.323 -5.760 1.00 0.00 C ATOM 286 OE1 GLU A 20 10.119 11.962 -6.828 1.00 0.00 O ATOM 287 OE2 GLU A 20 10.424 11.683 -4.640 1.00 0.00 O ATOM 0 H GLU A 20 7.802 7.942 -4.713 1.00 0.00 H new ATOM 0 HA GLU A 20 6.000 9.196 -6.531 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.502 11.049 -6.423 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.415 10.360 -4.814 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.571 9.358 -4.983 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.581 9.445 -6.733 1.00 0.00 H new ATOM 294 N GLN A 21 8.217 7.360 -7.796 1.00 0.00 N ATOM 295 CA GLN A 21 8.813 6.859 -9.023 1.00 0.00 C ATOM 296 C GLN A 21 7.807 5.995 -9.787 1.00 0.00 C ATOM 297 O GLN A 21 8.094 5.532 -10.890 1.00 0.00 O ATOM 298 CB GLN A 21 10.096 6.079 -8.730 1.00 0.00 C ATOM 299 CG GLN A 21 11.303 6.738 -9.400 1.00 0.00 C ATOM 300 CD GLN A 21 11.864 5.851 -10.514 1.00 0.00 C ATOM 301 OE1 GLN A 21 11.519 4.689 -10.650 1.00 0.00 O ATOM 302 NE2 GLN A 21 12.746 6.462 -11.300 1.00 0.00 N ATOM 0 H GLN A 21 8.291 6.730 -6.998 1.00 0.00 H new ATOM 0 HA GLN A 21 9.080 7.710 -9.649 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.257 6.027 -7.653 1.00 0.00 H new ATOM 0 HB3 GLN A 21 9.992 5.054 -9.086 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.012 7.705 -9.812 1.00 0.00 H new ATOM 0 HG3 GLN A 21 12.077 6.928 -8.657 1.00 0.00 H new ATOM 0 HE21 GLN A 21 12.990 7.438 -11.130 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.178 5.955 -12.072 1.00 0.00 H new ATOM 311 N LEU A 22 6.651 5.804 -9.169 1.00 0.00 N ATOM 312 CA LEU A 22 5.602 5.003 -9.777 1.00 0.00 C ATOM 313 C LEU A 22 4.832 5.859 -10.786 1.00 0.00 C ATOM 314 O LEU A 22 4.737 7.075 -10.628 1.00 0.00 O ATOM 315 CB LEU A 22 4.715 4.375 -8.701 1.00 0.00 C ATOM 316 CG LEU A 22 5.445 3.658 -7.564 1.00 0.00 C ATOM 317 CD1 LEU A 22 4.453 3.081 -6.552 1.00 0.00 C ATOM 318 CD2 LEU A 22 6.394 2.589 -8.110 1.00 0.00 C ATOM 0 H LEU A 22 6.418 6.190 -8.254 1.00 0.00 H new ATOM 0 HA LEU A 22 6.033 4.168 -10.329 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.092 5.158 -8.269 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.044 3.663 -9.181 1.00 0.00 H new ATOM 0 HG LEU A 22 6.055 4.390 -7.035 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.999 2.577 -5.754 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.855 3.888 -6.129 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.798 2.367 -7.051 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.900 2.094 -7.281 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.825 1.853 -8.679 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.134 3.057 -8.760 1.00 0.00 H new ATOM 330 N LYS A 23 4.304 5.190 -11.800 1.00 0.00 N ATOM 331 CA LYS A 23 3.546 5.875 -12.834 1.00 0.00 C ATOM 332 C LYS A 23 2.727 4.850 -13.622 1.00 0.00 C ATOM 333 O LYS A 23 2.985 3.650 -13.543 1.00 0.00 O ATOM 334 CB LYS A 23 4.474 6.723 -13.705 1.00 0.00 C ATOM 335 CG LYS A 23 4.535 8.165 -13.198 1.00 0.00 C ATOM 336 CD LYS A 23 4.568 9.156 -14.364 1.00 0.00 C ATOM 337 CE LYS A 23 6.005 9.560 -14.700 1.00 0.00 C ATOM 338 NZ LYS A 23 6.274 9.367 -16.142 1.00 0.00 N ATOM 0 H LYS A 23 4.386 4.181 -11.928 1.00 0.00 H new ATOM 0 HA LYS A 23 2.838 6.575 -12.389 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.475 6.291 -13.704 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.122 6.711 -14.737 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.670 8.369 -12.567 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.421 8.299 -12.577 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.098 8.708 -15.240 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.987 10.043 -14.109 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.168 10.603 -14.430 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.703 8.965 -14.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.253 9.646 -16.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.138 8.366 -16.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.620 9.953 -16.699 1.00 0.00 H new ATOM 352 N PRO A 24 1.732 5.375 -14.386 1.00 0.00 N ATOM 353 CA PRO A 24 0.874 4.520 -15.188 1.00 0.00 C ATOM 354 C PRO A 24 1.610 4.018 -16.432 1.00 0.00 C ATOM 355 O PRO A 24 2.160 4.811 -17.195 1.00 0.00 O ATOM 356 CB PRO A 24 -0.337 5.377 -15.520 1.00 0.00 C ATOM 357 CG PRO A 24 0.095 6.816 -15.288 1.00 0.00 C ATOM 358 CD PRO A 24 1.397 6.791 -14.504 1.00 0.00 C ATOM 0 HA PRO A 24 0.572 3.615 -14.661 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.652 5.225 -16.552 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.185 5.117 -14.887 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.232 7.332 -16.239 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.672 7.361 -14.737 1.00 0.00 H new ATOM 0 HD2 PRO A 24 2.182 7.342 -15.022 1.00 0.00 H new ATOM 0 HD3 PRO A 24 1.278 7.253 -13.524 1.00 0.00 H new ATOM 366 N GLY A 25 1.595 2.704 -16.598 1.00 0.00 N ATOM 367 CA GLY A 25 2.255 2.086 -17.737 1.00 0.00 C ATOM 368 C GLY A 25 3.530 1.361 -17.305 1.00 0.00 C ATOM 369 O GLY A 25 4.461 1.209 -18.095 1.00 0.00 O ATOM 0 H GLY A 25 1.137 2.050 -15.964 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.576 1.381 -18.216 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.499 2.848 -18.478 1.00 0.00 H new ATOM 373 N THR A 26 3.533 0.932 -16.051 1.00 0.00 N ATOM 374 CA THR A 26 4.679 0.226 -15.504 1.00 0.00 C ATOM 375 C THR A 26 4.226 -1.033 -14.762 1.00 0.00 C ATOM 376 O THR A 26 3.054 -1.162 -14.410 1.00 0.00 O ATOM 377 CB THR A 26 5.460 1.203 -14.623 1.00 0.00 C ATOM 378 OG1 THR A 26 4.589 1.452 -13.524 1.00 0.00 O ATOM 379 CG2 THR A 26 5.633 2.574 -15.280 1.00 0.00 C ATOM 0 H THR A 26 2.760 1.060 -15.398 1.00 0.00 H new ATOM 0 HA THR A 26 5.343 -0.123 -16.295 1.00 0.00 H new ATOM 0 HB THR A 26 6.440 0.783 -14.396 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.893 0.943 -12.744 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.194 3.229 -14.613 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.175 2.462 -16.219 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.653 3.009 -15.477 1.00 0.00 H new ATOM 387 N THR A 27 5.178 -1.928 -14.545 1.00 0.00 N ATOM 388 CA THR A 27 4.891 -3.172 -13.850 1.00 0.00 C ATOM 389 C THR A 27 6.148 -3.694 -13.150 1.00 0.00 C ATOM 390 O THR A 27 7.248 -3.202 -13.394 1.00 0.00 O ATOM 391 CB THR A 27 4.308 -4.157 -14.865 1.00 0.00 C ATOM 392 OG1 THR A 27 5.068 -3.927 -16.049 1.00 0.00 O ATOM 393 CG2 THR A 27 2.875 -3.803 -15.268 1.00 0.00 C ATOM 0 H THR A 27 6.149 -1.817 -14.838 1.00 0.00 H new ATOM 0 HA THR A 27 4.155 -3.023 -13.060 1.00 0.00 H new ATOM 0 HB THR A 27 4.330 -5.163 -14.447 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.757 -4.526 -16.759 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.509 -4.533 -15.990 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.236 -3.813 -14.385 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.858 -2.810 -15.717 1.00 0.00 H new ATOM 401 N GLY A 28 5.941 -4.683 -12.293 1.00 0.00 N ATOM 402 CA GLY A 28 7.044 -5.277 -11.556 1.00 0.00 C ATOM 403 C GLY A 28 7.999 -4.201 -11.037 1.00 0.00 C ATOM 404 O GLY A 28 8.908 -3.776 -11.748 1.00 0.00 O ATOM 0 H GLY A 28 5.027 -5.088 -12.092 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.656 -5.858 -10.719 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.586 -5.969 -12.201 1.00 0.00 H new ATOM 408 N HIS A 29 7.760 -3.790 -9.800 1.00 0.00 N ATOM 409 CA HIS A 29 8.587 -2.771 -9.176 1.00 0.00 C ATOM 410 C HIS A 29 9.188 -3.320 -7.881 1.00 0.00 C ATOM 411 O HIS A 29 8.687 -4.296 -7.325 1.00 0.00 O ATOM 412 CB HIS A 29 7.792 -1.482 -8.962 1.00 0.00 C ATOM 413 CG HIS A 29 7.287 -0.852 -10.238 1.00 0.00 C ATOM 414 ND1 HIS A 29 8.022 0.071 -10.961 1.00 0.00 N ATOM 415 CD2 HIS A 29 6.114 -1.024 -10.913 1.00 0.00 C ATOM 416 CE1 HIS A 29 7.314 0.433 -12.020 1.00 0.00 C ATOM 417 NE2 HIS A 29 6.131 -0.247 -11.989 1.00 0.00 N ATOM 0 H HIS A 29 7.005 -4.145 -9.213 1.00 0.00 H new ATOM 0 HA HIS A 29 9.414 -2.513 -9.838 1.00 0.00 H new ATOM 0 HB2 HIS A 29 6.942 -1.695 -8.313 1.00 0.00 H new ATOM 0 HB3 HIS A 29 8.421 -0.762 -8.438 1.00 0.00 H new ATOM 0 HD1 HIS A 29 8.952 0.414 -10.719 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.308 -1.681 -10.621 1.00 0.00 H new ATOM 0 HE1 HIS A 29 7.619 1.142 -12.776 1.00 0.00 H new ATOM 425 N THR A 30 10.253 -2.668 -7.437 1.00 0.00 N ATOM 426 CA THR A 30 10.927 -3.078 -6.217 1.00 0.00 C ATOM 427 C THR A 30 11.277 -1.857 -5.365 1.00 0.00 C ATOM 428 O THR A 30 12.122 -1.050 -5.747 1.00 0.00 O ATOM 429 CB THR A 30 12.146 -3.915 -6.609 1.00 0.00 C ATOM 430 OG1 THR A 30 11.686 -4.709 -7.699 1.00 0.00 O ATOM 431 CG2 THR A 30 12.523 -4.939 -5.536 1.00 0.00 C ATOM 0 H THR A 30 10.666 -1.859 -7.901 1.00 0.00 H new ATOM 0 HA THR A 30 10.278 -3.694 -5.595 1.00 0.00 H new ATOM 0 HB THR A 30 12.994 -3.256 -6.796 1.00 0.00 H new ATOM 0 HG1 THR A 30 12.415 -5.282 -8.017 1.00 0.00 H new ATOM 0 HG21 THR A 30 13.394 -5.506 -5.864 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.757 -4.422 -4.605 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.687 -5.620 -5.373 1.00 0.00 H new ATOM 439 N LEU A 31 10.608 -1.760 -4.225 1.00 0.00 N ATOM 440 CA LEU A 31 10.838 -0.650 -3.315 1.00 0.00 C ATOM 441 C LEU A 31 10.341 -1.030 -1.919 1.00 0.00 C ATOM 442 O LEU A 31 9.602 -2.001 -1.762 1.00 0.00 O ATOM 443 CB LEU A 31 10.209 0.632 -3.864 1.00 0.00 C ATOM 444 CG LEU A 31 8.682 0.646 -3.949 1.00 0.00 C ATOM 445 CD1 LEU A 31 8.198 1.708 -4.939 1.00 0.00 C ATOM 446 CD2 LEU A 31 8.138 -0.743 -4.288 1.00 0.00 C ATOM 0 H LEU A 31 9.907 -2.431 -3.911 1.00 0.00 H new ATOM 0 HA LEU A 31 11.905 -0.442 -3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.526 1.466 -3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.610 0.812 -4.861 1.00 0.00 H new ATOM 0 HG LEU A 31 8.288 0.915 -2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.109 1.697 -4.981 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.539 2.691 -4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.601 1.493 -5.929 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.050 -0.704 -4.342 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.538 -1.066 -5.249 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.438 -1.450 -3.514 1.00 0.00 H new ATOM 458 N THR A 32 10.766 -0.245 -0.940 1.00 0.00 N ATOM 459 CA THR A 32 10.374 -0.487 0.438 1.00 0.00 C ATOM 460 C THR A 32 9.206 0.422 0.827 1.00 0.00 C ATOM 461 O THR A 32 9.352 1.643 0.867 1.00 0.00 O ATOM 462 CB THR A 32 11.609 -0.301 1.321 1.00 0.00 C ATOM 463 OG1 THR A 32 12.690 -0.737 0.502 1.00 0.00 O ATOM 464 CG2 THR A 32 11.630 -1.265 2.509 1.00 0.00 C ATOM 0 H THR A 32 11.378 0.560 -1.074 1.00 0.00 H new ATOM 0 HA THR A 32 10.011 -1.506 0.573 1.00 0.00 H new ATOM 0 HB THR A 32 11.643 0.726 1.686 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.531 -0.649 0.997 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.527 -1.091 3.103 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.748 -1.100 3.127 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.630 -2.292 2.144 1.00 0.00 H new ATOM 472 N VAL A 33 8.074 -0.208 1.104 1.00 0.00 N ATOM 473 CA VAL A 33 6.882 0.529 1.489 1.00 0.00 C ATOM 474 C VAL A 33 6.588 0.278 2.969 1.00 0.00 C ATOM 475 O VAL A 33 6.678 -0.855 3.440 1.00 0.00 O ATOM 476 CB VAL A 33 5.715 0.150 0.575 1.00 0.00 C ATOM 477 CG1 VAL A 33 6.051 0.438 -0.890 1.00 0.00 C ATOM 478 CG2 VAL A 33 5.319 -1.314 0.770 1.00 0.00 C ATOM 0 H VAL A 33 7.957 -1.221 1.070 1.00 0.00 H new ATOM 0 HA VAL A 33 7.039 1.601 1.366 1.00 0.00 H new ATOM 0 HB VAL A 33 4.859 0.767 0.850 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.205 0.160 -1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.261 1.501 -1.013 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.927 -0.141 -1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.487 -1.557 0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.169 -1.955 0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.018 -1.475 1.805 1.00 0.00 H new ATOM 488 N LYS A 34 6.243 1.353 3.662 1.00 0.00 N ATOM 489 CA LYS A 34 5.935 1.263 5.079 1.00 0.00 C ATOM 490 C LYS A 34 4.437 1.495 5.287 1.00 0.00 C ATOM 491 O LYS A 34 3.912 2.547 4.925 1.00 0.00 O ATOM 492 CB LYS A 34 6.822 2.217 5.881 1.00 0.00 C ATOM 493 CG LYS A 34 6.457 2.187 7.367 1.00 0.00 C ATOM 494 CD LYS A 34 6.065 3.579 7.864 1.00 0.00 C ATOM 495 CE LYS A 34 5.921 3.598 9.387 1.00 0.00 C ATOM 496 NZ LYS A 34 4.612 4.168 9.777 1.00 0.00 N ATOM 0 H LYS A 34 6.170 2.291 3.268 1.00 0.00 H new ATOM 0 HA LYS A 34 6.158 0.264 5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.868 1.939 5.754 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.712 3.231 5.496 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.632 1.494 7.528 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.303 1.815 7.945 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.819 4.304 7.558 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.125 3.882 7.403 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.015 2.586 9.780 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.726 4.186 9.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.531 4.173 10.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.537 5.141 9.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.847 3.590 9.373 1.00 0.00 H new ATOM 510 N VAL A 35 3.791 0.495 5.869 1.00 0.00 N ATOM 511 CA VAL A 35 2.364 0.577 6.129 1.00 0.00 C ATOM 512 C VAL A 35 2.103 1.656 7.182 1.00 0.00 C ATOM 513 O VAL A 35 2.895 1.831 8.107 1.00 0.00 O ATOM 514 CB VAL A 35 1.827 -0.797 6.536 1.00 0.00 C ATOM 515 CG1 VAL A 35 0.314 -0.879 6.321 1.00 0.00 C ATOM 516 CG2 VAL A 35 2.549 -1.913 5.780 1.00 0.00 C ATOM 0 H VAL A 35 4.230 -0.376 6.168 1.00 0.00 H new ATOM 0 HA VAL A 35 1.827 0.867 5.226 1.00 0.00 H new ATOM 0 HB VAL A 35 2.023 -0.932 7.600 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.043 -1.865 6.618 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.181 -0.118 6.924 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.087 -0.713 5.268 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.149 -2.879 6.088 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.399 -1.783 4.708 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.615 -1.874 6.004 1.00 0.00 H new ATOM 526 N ILE A 36 0.989 2.353 7.006 1.00 0.00 N ATOM 527 CA ILE A 36 0.614 3.410 7.929 1.00 0.00 C ATOM 528 C ILE A 36 -0.717 3.052 8.593 1.00 0.00 C ATOM 529 O ILE A 36 -0.845 3.126 9.814 1.00 0.00 O ATOM 530 CB ILE A 36 0.602 4.764 7.216 1.00 0.00 C ATOM 531 CG1 ILE A 36 1.650 4.807 6.103 1.00 0.00 C ATOM 532 CG2 ILE A 36 0.778 5.910 8.214 1.00 0.00 C ATOM 533 CD1 ILE A 36 3.064 4.859 6.683 1.00 0.00 C ATOM 0 H ILE A 36 0.335 2.206 6.238 1.00 0.00 H new ATOM 0 HA ILE A 36 1.353 3.502 8.725 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.372 4.894 6.745 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.546 3.928 5.467 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.480 5.679 5.472 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.766 6.861 7.682 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.036 5.889 8.939 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.730 5.797 8.734 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.790 4.889 5.870 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.172 5.752 7.299 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.240 3.973 7.294 1.00 0.00 H new ATOM 545 N GLU A 37 -1.674 2.672 7.760 1.00 0.00 N ATOM 546 CA GLU A 37 -2.991 2.303 8.251 1.00 0.00 C ATOM 547 C GLU A 37 -3.498 1.055 7.526 1.00 0.00 C ATOM 548 O GLU A 37 -3.029 0.734 6.435 1.00 0.00 O ATOM 549 CB GLU A 37 -3.978 3.463 8.101 1.00 0.00 C ATOM 550 CG GLU A 37 -3.341 4.784 8.536 1.00 0.00 C ATOM 551 CD GLU A 37 -4.381 5.715 9.161 1.00 0.00 C ATOM 552 OE1 GLU A 37 -4.597 5.584 10.386 1.00 0.00 O ATOM 553 OE2 GLU A 37 -4.938 6.536 8.401 1.00 0.00 O ATOM 0 H GLU A 37 -1.564 2.612 6.748 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.909 2.074 9.314 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.304 3.536 7.063 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.867 3.269 8.701 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.545 4.589 9.254 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.882 5.271 7.676 1.00 0.00 H new ATOM 560 N ALA A 38 -4.448 0.385 8.161 1.00 0.00 N ATOM 561 CA ALA A 38 -5.023 -0.821 7.590 1.00 0.00 C ATOM 562 C ALA A 38 -6.473 -0.961 8.058 1.00 0.00 C ATOM 563 O ALA A 38 -6.726 -1.268 9.222 1.00 0.00 O ATOM 564 CB ALA A 38 -4.166 -2.028 7.977 1.00 0.00 C ATOM 0 H ALA A 38 -4.834 0.654 9.066 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.032 -0.763 6.502 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.597 -2.933 7.549 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.154 -1.893 7.596 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.135 -2.119 9.063 1.00 0.00 H new ATOM 570 N ASN A 39 -7.387 -0.729 7.127 1.00 0.00 N ATOM 571 CA ASN A 39 -8.804 -0.825 7.430 1.00 0.00 C ATOM 572 C ASN A 39 -9.526 -1.503 6.264 1.00 0.00 C ATOM 573 O ASN A 39 -9.076 -1.426 5.122 1.00 0.00 O ATOM 574 CB ASN A 39 -9.421 0.562 7.625 1.00 0.00 C ATOM 575 CG ASN A 39 -8.553 1.424 8.544 1.00 0.00 C ATOM 576 OD1 ASN A 39 -8.667 1.390 9.759 1.00 0.00 O ATOM 577 ND2 ASN A 39 -7.683 2.196 7.899 1.00 0.00 N ATOM 0 H ASN A 39 -7.173 -0.475 6.163 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.914 -1.401 8.349 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.533 1.053 6.658 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.420 0.463 8.050 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.058 2.809 8.423 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.640 2.175 6.880 1.00 0.00 H new ATOM 584 N ILE A 40 -10.633 -2.154 6.592 1.00 0.00 N ATOM 585 CA ILE A 40 -11.420 -2.845 5.586 1.00 0.00 C ATOM 586 C ILE A 40 -11.785 -1.867 4.468 1.00 0.00 C ATOM 587 O ILE A 40 -11.818 -0.656 4.684 1.00 0.00 O ATOM 588 CB ILE A 40 -12.632 -3.524 6.228 1.00 0.00 C ATOM 589 CG1 ILE A 40 -13.375 -2.558 7.153 1.00 0.00 C ATOM 590 CG2 ILE A 40 -12.222 -4.809 6.951 1.00 0.00 C ATOM 591 CD1 ILE A 40 -14.814 -3.023 7.389 1.00 0.00 C ATOM 0 H ILE A 40 -11.003 -2.217 7.540 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.837 -3.646 5.131 1.00 0.00 H new ATOM 0 HB ILE A 40 -13.324 -3.808 5.435 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -12.851 -2.486 8.106 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -13.379 -1.560 6.715 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -13.102 -5.271 7.398 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -11.772 -5.500 6.238 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -11.500 -4.572 7.732 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -15.320 -2.319 8.050 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -15.342 -3.070 6.437 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -14.806 -4.011 7.849 1.00 0.00 H new ATOM 954 N ILE A 63 -10.269 -8.761 2.231 1.00 0.00 N ATOM 955 CA ILE A 63 -9.513 -7.707 1.577 1.00 0.00 C ATOM 956 C ILE A 63 -9.566 -6.440 2.433 1.00 0.00 C ATOM 957 O ILE A 63 -10.646 -5.976 2.795 1.00 0.00 O ATOM 958 CB ILE A 63 -10.009 -7.502 0.144 1.00 0.00 C ATOM 959 CG1 ILE A 63 -9.462 -8.587 -0.786 1.00 0.00 C ATOM 960 CG2 ILE A 63 -9.673 -6.096 -0.357 1.00 0.00 C ATOM 961 CD1 ILE A 63 -8.125 -8.163 -1.398 1.00 0.00 C ATOM 0 HA ILE A 63 -8.464 -7.989 1.490 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.095 -7.594 0.143 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.333 -9.516 -0.230 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -10.182 -8.787 -1.580 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -10.037 -5.977 -1.378 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.150 -5.357 0.287 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.593 -5.951 -0.337 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.759 -8.952 -2.055 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.262 -7.247 -1.973 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.400 -7.987 -0.603 1.00 0.00 H new ATOM 973 N VAL A 64 -8.386 -5.915 2.731 1.00 0.00 N ATOM 974 CA VAL A 64 -8.285 -4.711 3.537 1.00 0.00 C ATOM 975 C VAL A 64 -7.363 -3.710 2.838 1.00 0.00 C ATOM 976 O VAL A 64 -6.333 -4.091 2.284 1.00 0.00 O ATOM 977 CB VAL A 64 -7.819 -5.066 4.951 1.00 0.00 C ATOM 978 CG1 VAL A 64 -7.553 -3.803 5.773 1.00 0.00 C ATOM 979 CG2 VAL A 64 -8.834 -5.972 5.651 1.00 0.00 C ATOM 0 H VAL A 64 -7.492 -6.302 2.428 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.261 -4.237 3.640 1.00 0.00 H new ATOM 0 HB VAL A 64 -6.881 -5.615 4.867 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.223 -4.083 6.774 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.778 -3.210 5.288 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.468 -3.215 5.844 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.479 -6.209 6.654 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.794 -5.460 5.718 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -8.953 -6.893 5.081 1.00 0.00 H new ATOM 989 N GLU A 65 -7.767 -2.449 2.886 1.00 0.00 N ATOM 990 CA GLU A 65 -6.990 -1.390 2.264 1.00 0.00 C ATOM 991 C GLU A 65 -6.014 -0.784 3.274 1.00 0.00 C ATOM 992 O GLU A 65 -6.431 -0.195 4.270 1.00 0.00 O ATOM 993 CB GLU A 65 -7.904 -0.315 1.672 1.00 0.00 C ATOM 994 CG GLU A 65 -8.126 -0.548 0.176 1.00 0.00 C ATOM 995 CD GLU A 65 -9.175 0.418 -0.379 1.00 0.00 C ATOM 996 OE1 GLU A 65 -8.984 1.638 -0.183 1.00 0.00 O ATOM 997 OE2 GLU A 65 -10.144 -0.085 -0.987 1.00 0.00 O ATOM 0 H GLU A 65 -8.622 -2.137 3.346 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.414 -1.822 1.446 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.863 -0.321 2.191 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.463 0.669 1.829 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.186 -0.417 -0.360 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.448 -1.576 0.008 1.00 0.00 H new ATOM 1004 N CYS A 66 -4.732 -0.950 2.983 1.00 0.00 N ATOM 1005 CA CYS A 66 -3.693 -0.426 3.853 1.00 0.00 C ATOM 1006 C CYS A 66 -2.950 0.681 3.103 1.00 0.00 C ATOM 1007 O CYS A 66 -2.874 0.661 1.875 1.00 0.00 O ATOM 1008 CB CYS A 66 -2.744 -1.529 4.328 1.00 0.00 C ATOM 1009 SG CYS A 66 -3.688 -3.055 4.687 1.00 0.00 S ATOM 0 H CYS A 66 -4.389 -1.440 2.157 1.00 0.00 H new ATOM 0 HA CYS A 66 -4.145 -0.012 4.754 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.993 -1.728 3.564 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -2.212 -1.202 5.221 1.00 0.00 H new ATOM 0 HG CYS A 66 -2.934 -3.888 5.340 1.00 0.00 H new ATOM 1015 N LEU A 67 -2.422 1.622 3.872 1.00 0.00 N ATOM 1016 CA LEU A 67 -1.689 2.736 3.296 1.00 0.00 C ATOM 1017 C LEU A 67 -0.187 2.480 3.438 1.00 0.00 C ATOM 1018 O LEU A 67 0.324 2.367 4.551 1.00 0.00 O ATOM 1019 CB LEU A 67 -2.149 4.057 3.914 1.00 0.00 C ATOM 1020 CG LEU A 67 -1.930 5.309 3.061 1.00 0.00 C ATOM 1021 CD1 LEU A 67 -2.957 6.391 3.401 1.00 0.00 C ATOM 1022 CD2 LEU A 67 -0.494 5.819 3.194 1.00 0.00 C ATOM 0 H LEU A 67 -2.487 1.636 4.890 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.899 2.820 2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.212 3.978 4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.629 4.192 4.862 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.080 5.040 2.015 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.779 7.269 2.781 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.961 6.011 3.213 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.864 6.664 4.452 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.365 6.709 2.578 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.291 6.066 4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.199 5.045 2.863 1.00 0.00 H new ATOM 1034 N ILE A 68 0.477 2.396 2.295 1.00 0.00 N ATOM 1035 CA ILE A 68 1.910 2.155 2.278 1.00 0.00 C ATOM 1036 C ILE A 68 2.583 3.174 1.356 1.00 0.00 C ATOM 1037 O ILE A 68 1.951 3.702 0.443 1.00 0.00 O ATOM 1038 CB ILE A 68 2.205 0.701 1.907 1.00 0.00 C ATOM 1039 CG1 ILE A 68 2.266 0.524 0.388 1.00 0.00 C ATOM 1040 CG2 ILE A 68 1.193 -0.247 2.554 1.00 0.00 C ATOM 1041 CD1 ILE A 68 0.963 0.985 -0.270 1.00 0.00 C ATOM 0 H ILE A 68 0.049 2.490 1.374 1.00 0.00 H new ATOM 0 HA ILE A 68 2.332 2.297 3.273 1.00 0.00 H new ATOM 0 HB ILE A 68 3.187 0.441 2.301 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.103 1.094 -0.015 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.449 -0.523 0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.426 -1.274 2.274 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.242 -0.147 3.638 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.189 0.004 2.212 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.032 0.849 -1.349 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.132 0.396 0.117 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.796 2.039 -0.047 1.00 0.00 H new ATOM 1053 N GLY A 69 3.857 3.419 1.627 1.00 0.00 N ATOM 1054 CA GLY A 69 4.622 4.365 0.833 1.00 0.00 C ATOM 1055 C GLY A 69 5.994 4.624 1.461 1.00 0.00 C ATOM 1056 O GLY A 69 6.432 3.876 2.333 1.00 0.00 O ATOM 0 H GLY A 69 4.378 2.979 2.385 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.748 3.978 -0.178 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.073 5.303 0.750 1.00 0.00 H new ATOM 1060 N ASP A 70 6.633 5.685 0.991 1.00 0.00 N ATOM 1061 CA ASP A 70 7.946 6.052 1.495 1.00 0.00 C ATOM 1062 C ASP A 70 8.000 7.565 1.710 1.00 0.00 C ATOM 1063 O ASP A 70 7.017 8.265 1.473 1.00 0.00 O ATOM 1064 CB ASP A 70 9.043 5.675 0.498 1.00 0.00 C ATOM 1065 CG ASP A 70 10.374 5.260 1.127 1.00 0.00 C ATOM 1066 OD1 ASP A 70 10.479 4.072 1.501 1.00 0.00 O ATOM 1067 OD2 ASP A 70 11.257 6.140 1.221 1.00 0.00 O ATOM 0 H ASP A 70 6.266 6.302 0.267 1.00 0.00 H new ATOM 0 HA ASP A 70 8.110 5.517 2.430 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.682 4.856 -0.124 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.220 6.524 -0.163 1.00 0.00 H new ATOM 1072 N GLU A 71 9.160 8.026 2.156 1.00 0.00 N ATOM 1073 CA GLU A 71 9.356 9.444 2.405 1.00 0.00 C ATOM 1074 C GLU A 71 8.835 10.267 1.226 1.00 0.00 C ATOM 1075 O GLU A 71 8.251 11.333 1.417 1.00 0.00 O ATOM 1076 CB GLU A 71 10.828 9.754 2.683 1.00 0.00 C ATOM 1077 CG GLU A 71 11.600 9.962 1.378 1.00 0.00 C ATOM 1078 CD GLU A 71 13.109 9.909 1.619 1.00 0.00 C ATOM 1079 OE1 GLU A 71 13.588 8.812 1.982 1.00 0.00 O ATOM 1080 OE2 GLU A 71 13.751 10.966 1.436 1.00 0.00 O ATOM 0 H GLU A 71 9.973 7.442 2.351 1.00 0.00 H new ATOM 0 HA GLU A 71 8.787 9.719 3.293 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.905 10.648 3.302 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.275 8.936 3.248 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.316 9.195 0.657 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.331 10.924 0.942 1.00 0.00 H new ATOM 1087 N THR A 72 9.065 9.742 0.031 1.00 0.00 N ATOM 1088 CA THR A 72 8.626 10.415 -1.180 1.00 0.00 C ATOM 1089 C THR A 72 7.106 10.592 -1.170 1.00 0.00 C ATOM 1090 O THR A 72 6.605 11.660 -0.820 1.00 0.00 O ATOM 1091 CB THR A 72 9.136 9.612 -2.378 1.00 0.00 C ATOM 1092 OG1 THR A 72 8.837 8.260 -2.043 1.00 0.00 O ATOM 1093 CG2 THR A 72 10.662 9.638 -2.493 1.00 0.00 C ATOM 0 H THR A 72 9.550 8.858 -0.124 1.00 0.00 H new ATOM 0 HA THR A 72 9.039 11.422 -1.245 1.00 0.00 H new ATOM 0 HB THR A 72 8.696 10.007 -3.293 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.671 7.749 -2.863 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.972 9.053 -3.359 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.001 10.667 -2.610 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.102 9.212 -1.591 1.00 0.00 H new ATOM 1101 N GLY A 73 6.416 9.530 -1.559 1.00 0.00 N ATOM 1102 CA GLY A 73 4.964 9.556 -1.600 1.00 0.00 C ATOM 1103 C GLY A 73 4.378 8.239 -1.085 1.00 0.00 C ATOM 1104 O GLY A 73 5.106 7.389 -0.574 1.00 0.00 O ATOM 0 H GLY A 73 6.835 8.646 -1.848 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.594 10.384 -0.995 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.628 9.733 -2.622 1.00 0.00 H new ATOM 1108 N CYS A 74 3.068 8.112 -1.238 1.00 0.00 N ATOM 1109 CA CYS A 74 2.376 6.913 -0.796 1.00 0.00 C ATOM 1110 C CYS A 74 1.259 6.607 -1.795 1.00 0.00 C ATOM 1111 O CYS A 74 0.849 7.479 -2.559 1.00 0.00 O ATOM 1112 CB CYS A 74 1.841 7.063 0.630 1.00 0.00 C ATOM 1113 SG CYS A 74 2.967 8.118 1.614 1.00 0.00 S ATOM 0 H CYS A 74 2.468 8.819 -1.662 1.00 0.00 H new ATOM 0 HA CYS A 74 3.074 6.077 -0.766 1.00 0.00 H new ATOM 0 HB2 CYS A 74 0.844 7.502 0.609 1.00 0.00 H new ATOM 0 HB3 CYS A 74 1.747 6.083 1.097 1.00 0.00 H new ATOM 0 HG CYS A 74 2.688 9.369 1.399 1.00 0.00 H new ATOM 1119 N ILE A 75 0.798 5.365 -1.757 1.00 0.00 N ATOM 1120 CA ILE A 75 -0.263 4.933 -2.650 1.00 0.00 C ATOM 1121 C ILE A 75 -1.113 3.871 -1.948 1.00 0.00 C ATOM 1122 O ILE A 75 -0.696 3.304 -0.939 1.00 0.00 O ATOM 1123 CB ILE A 75 0.317 4.470 -3.988 1.00 0.00 C ATOM 1124 CG1 ILE A 75 0.001 2.995 -4.242 1.00 0.00 C ATOM 1125 CG2 ILE A 75 1.818 4.756 -4.062 1.00 0.00 C ATOM 1126 CD1 ILE A 75 0.651 2.104 -3.181 1.00 0.00 C ATOM 0 H ILE A 75 1.140 4.644 -1.121 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.924 5.767 -2.887 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.160 5.042 -4.784 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.079 2.845 -4.237 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.358 2.708 -5.231 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.206 4.417 -5.023 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.990 5.827 -3.958 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.329 4.227 -3.258 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.411 1.061 -3.385 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.732 2.239 -3.206 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.274 2.377 -2.196 1.00 0.00 H new ATOM 1138 N LEU A 76 -2.289 3.634 -2.510 1.00 0.00 N ATOM 1139 CA LEU A 76 -3.201 2.651 -1.952 1.00 0.00 C ATOM 1140 C LEU A 76 -2.888 1.276 -2.545 1.00 0.00 C ATOM 1141 O LEU A 76 -2.918 1.100 -3.762 1.00 0.00 O ATOM 1142 CB LEU A 76 -4.653 3.091 -2.152 1.00 0.00 C ATOM 1143 CG LEU A 76 -5.325 3.755 -0.948 1.00 0.00 C ATOM 1144 CD1 LEU A 76 -6.693 4.323 -1.328 1.00 0.00 C ATOM 1145 CD2 LEU A 76 -5.415 2.785 0.232 1.00 0.00 C ATOM 0 H LEU A 76 -2.631 4.106 -3.347 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.062 2.573 -0.874 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.689 3.785 -2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.241 2.218 -2.435 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.706 4.594 -0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.149 4.789 -0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.572 5.067 -2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.335 3.518 -1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.896 3.281 1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.000 1.912 -0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.412 2.470 0.521 1.00 0.00 H new ATOM 1157 N PHE A 77 -2.596 0.336 -1.658 1.00 0.00 N ATOM 1158 CA PHE A 77 -2.278 -1.018 -2.079 1.00 0.00 C ATOM 1159 C PHE A 77 -3.233 -2.029 -1.442 1.00 0.00 C ATOM 1160 O PHE A 77 -3.543 -1.933 -0.256 1.00 0.00 O ATOM 1161 CB PHE A 77 -0.853 -1.311 -1.605 1.00 0.00 C ATOM 1162 CG PHE A 77 -0.422 -2.767 -1.792 1.00 0.00 C ATOM 1163 CD1 PHE A 77 -0.890 -3.728 -0.950 1.00 0.00 C ATOM 1164 CD2 PHE A 77 0.428 -3.100 -2.799 1.00 0.00 C ATOM 1165 CE1 PHE A 77 -0.490 -5.079 -1.124 1.00 0.00 C ATOM 1166 CE2 PHE A 77 0.828 -4.452 -2.973 1.00 0.00 C ATOM 1167 CZ PHE A 77 0.361 -5.412 -2.131 1.00 0.00 C ATOM 0 H PHE A 77 -2.573 0.485 -0.649 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.372 -1.103 -3.162 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.161 -0.666 -2.146 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.772 -1.051 -0.549 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.565 -3.463 -0.150 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.799 -2.337 -3.467 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.862 -5.842 -0.457 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.503 -4.717 -3.774 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.666 -6.440 -2.262 1.00 0.00 H new ATOM 1177 N THR A 78 -3.674 -2.975 -2.259 1.00 0.00 N ATOM 1178 CA THR A 78 -4.587 -4.002 -1.790 1.00 0.00 C ATOM 1179 C THR A 78 -3.809 -5.229 -1.309 1.00 0.00 C ATOM 1180 O THR A 78 -2.999 -5.783 -2.050 1.00 0.00 O ATOM 1181 CB THR A 78 -5.572 -4.312 -2.920 1.00 0.00 C ATOM 1182 OG1 THR A 78 -6.260 -3.081 -3.127 1.00 0.00 O ATOM 1183 CG2 THR A 78 -6.670 -5.286 -2.489 1.00 0.00 C ATOM 0 H THR A 78 -3.415 -3.051 -3.243 1.00 0.00 H new ATOM 0 HA THR A 78 -5.157 -3.659 -0.927 1.00 0.00 H new ATOM 0 HB THR A 78 -5.031 -4.729 -3.769 1.00 0.00 H new ATOM 0 HG1 THR A 78 -6.918 -3.191 -3.845 1.00 0.00 H new ATOM 0 HG21 THR A 78 -7.341 -5.472 -3.327 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.218 -6.226 -2.171 1.00 0.00 H new ATOM 0 HG23 THR A 78 -7.234 -4.856 -1.661 1.00 0.00 H new ATOM 1191 N ALA A 79 -4.083 -5.616 -0.072 1.00 0.00 N ATOM 1192 CA ALA A 79 -3.419 -6.767 0.516 1.00 0.00 C ATOM 1193 C ALA A 79 -4.437 -7.891 0.716 1.00 0.00 C ATOM 1194 O ALA A 79 -5.505 -7.672 1.284 1.00 0.00 O ATOM 1195 CB ALA A 79 -2.743 -6.353 1.825 1.00 0.00 C ATOM 0 H ALA A 79 -4.756 -5.153 0.539 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.641 -7.142 -0.149 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.245 -7.216 2.266 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.008 -5.573 1.624 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.494 -5.974 2.518 1.00 0.00 H new ATOM 1201 N ARG A 80 -4.069 -9.071 0.238 1.00 0.00 N ATOM 1202 CA ARG A 80 -4.938 -10.230 0.357 1.00 0.00 C ATOM 1203 C ARG A 80 -4.967 -10.725 1.804 1.00 0.00 C ATOM 1204 O ARG A 80 -4.116 -10.350 2.610 1.00 0.00 O ATOM 1205 CB ARG A 80 -4.467 -11.366 -0.553 1.00 0.00 C ATOM 1206 CG ARG A 80 -4.689 -11.017 -2.026 1.00 0.00 C ATOM 1207 CD ARG A 80 -5.276 -12.206 -2.790 1.00 0.00 C ATOM 1208 NE ARG A 80 -5.442 -11.857 -4.219 1.00 0.00 N ATOM 1209 CZ ARG A 80 -6.417 -11.068 -4.690 1.00 0.00 C ATOM 1210 NH1 ARG A 80 -7.318 -10.540 -3.850 1.00 0.00 N ATOM 1211 NH2 ARG A 80 -6.491 -10.806 -6.003 1.00 0.00 N ATOM 0 H ARG A 80 -3.182 -9.249 -0.232 1.00 0.00 H new ATOM 0 HA ARG A 80 -5.940 -9.926 0.053 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.409 -11.562 -0.378 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -5.006 -12.281 -0.307 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -5.362 -10.163 -2.103 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -3.743 -10.720 -2.479 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -4.620 -13.071 -2.692 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -6.238 -12.485 -2.361 1.00 0.00 H new ATOM 0 HE ARG A 80 -4.773 -12.241 -4.886 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -7.262 -10.739 -2.851 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -8.060 -9.939 -4.210 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -5.805 -11.207 -6.643 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -7.233 -10.205 -6.362 1.00 0.00 H new ATOM 1225 N ASN A 81 -5.956 -11.558 2.091 1.00 0.00 N ATOM 1226 CA ASN A 81 -6.108 -12.108 3.428 1.00 0.00 C ATOM 1227 C ASN A 81 -4.741 -12.558 3.948 1.00 0.00 C ATOM 1228 O ASN A 81 -4.522 -12.617 5.156 1.00 0.00 O ATOM 1229 CB ASN A 81 -7.036 -13.324 3.421 1.00 0.00 C ATOM 1230 CG ASN A 81 -6.940 -14.094 4.740 1.00 0.00 C ATOM 1231 OD1 ASN A 81 -5.906 -14.631 5.102 1.00 0.00 O ATOM 1232 ND2 ASN A 81 -8.073 -14.117 5.436 1.00 0.00 N ATOM 0 H ASN A 81 -6.660 -11.866 1.421 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.534 -11.333 4.065 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -8.064 -13.001 3.259 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.774 -13.981 2.592 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -8.112 -14.605 6.331 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -8.903 -13.647 5.075 1.00 0.00 H new ATOM 1239 N ASP A 82 -3.858 -12.864 3.008 1.00 0.00 N ATOM 1240 CA ASP A 82 -2.519 -13.307 3.357 1.00 0.00 C ATOM 1241 C ASP A 82 -1.613 -12.088 3.534 1.00 0.00 C ATOM 1242 O ASP A 82 -1.112 -11.836 4.629 1.00 0.00 O ATOM 1243 CB ASP A 82 -1.924 -14.182 2.251 1.00 0.00 C ATOM 1244 CG ASP A 82 -0.719 -15.025 2.673 1.00 0.00 C ATOM 1245 OD1 ASP A 82 -0.305 -14.879 3.843 1.00 0.00 O ATOM 1246 OD2 ASP A 82 -0.238 -15.797 1.815 1.00 0.00 O ATOM 0 H ASP A 82 -4.044 -12.814 2.006 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.584 -13.885 4.279 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.702 -14.848 1.877 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.627 -13.541 1.421 1.00 0.00 H new ATOM 1251 N GLN A 83 -1.430 -11.362 2.440 1.00 0.00 N ATOM 1252 CA GLN A 83 -0.592 -10.175 2.461 1.00 0.00 C ATOM 1253 C GLN A 83 -1.032 -9.235 3.586 1.00 0.00 C ATOM 1254 O GLN A 83 -0.196 -8.664 4.285 1.00 0.00 O ATOM 1255 CB GLN A 83 -0.620 -9.461 1.109 1.00 0.00 C ATOM 1256 CG GLN A 83 -0.156 -10.393 -0.013 1.00 0.00 C ATOM 1257 CD GLN A 83 -0.746 -9.967 -1.359 1.00 0.00 C ATOM 1258 OE1 GLN A 83 -1.514 -10.681 -1.982 1.00 0.00 O ATOM 1259 NE2 GLN A 83 -0.346 -8.768 -1.770 1.00 0.00 N ATOM 0 H GLN A 83 -1.848 -11.573 1.534 1.00 0.00 H new ATOM 0 HA GLN A 83 0.436 -10.483 2.652 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.630 -9.110 0.900 1.00 0.00 H new ATOM 0 HB3 GLN A 83 0.022 -8.581 1.145 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.932 -10.385 -0.070 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -0.456 -11.416 0.212 1.00 0.00 H new ATOM 0 HE21 GLN A 83 0.299 -8.222 -1.199 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.684 -8.394 -2.657 1.00 0.00 H new ATOM 1268 N VAL A 84 -2.343 -9.105 3.727 1.00 0.00 N ATOM 1269 CA VAL A 84 -2.903 -8.245 4.755 1.00 0.00 C ATOM 1270 C VAL A 84 -2.039 -8.332 6.014 1.00 0.00 C ATOM 1271 O VAL A 84 -1.761 -7.318 6.652 1.00 0.00 O ATOM 1272 CB VAL A 84 -4.366 -8.615 5.007 1.00 0.00 C ATOM 1273 CG1 VAL A 84 -4.472 -9.834 5.926 1.00 0.00 C ATOM 1274 CG2 VAL A 84 -5.142 -7.427 5.579 1.00 0.00 C ATOM 0 H VAL A 84 -3.033 -9.581 3.146 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.896 -7.205 4.428 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.815 -8.877 4.049 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.522 -10.076 6.089 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.971 -10.684 5.462 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.998 -9.611 6.882 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.179 -7.717 5.749 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.692 -7.119 6.523 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.109 -6.597 4.873 1.00 0.00 H new ATOM 1284 N ASP A 85 -1.637 -9.554 6.334 1.00 0.00 N ATOM 1285 CA ASP A 85 -0.810 -9.787 7.505 1.00 0.00 C ATOM 1286 C ASP A 85 0.490 -8.990 7.373 1.00 0.00 C ATOM 1287 O ASP A 85 0.819 -8.184 8.243 1.00 0.00 O ATOM 1288 CB ASP A 85 -0.445 -11.267 7.637 1.00 0.00 C ATOM 1289 CG ASP A 85 0.570 -11.588 8.735 1.00 0.00 C ATOM 1290 OD1 ASP A 85 0.466 -10.953 9.807 1.00 0.00 O ATOM 1291 OD2 ASP A 85 1.428 -12.460 8.478 1.00 0.00 O ATOM 0 H ASP A 85 -1.869 -10.393 5.802 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.375 -9.475 8.383 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -1.356 -11.834 7.828 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.048 -11.614 6.683 1.00 0.00 H new ATOM 1296 N LEU A 86 1.193 -9.242 6.279 1.00 0.00 N ATOM 1297 CA LEU A 86 2.449 -8.558 6.022 1.00 0.00 C ATOM 1298 C LEU A 86 2.183 -7.062 5.846 1.00 0.00 C ATOM 1299 O LEU A 86 3.019 -6.233 6.204 1.00 0.00 O ATOM 1300 CB LEU A 86 3.174 -9.198 4.837 1.00 0.00 C ATOM 1301 CG LEU A 86 3.604 -10.655 5.020 1.00 0.00 C ATOM 1302 CD1 LEU A 86 3.240 -11.492 3.792 1.00 0.00 C ATOM 1303 CD2 LEU A 86 5.093 -10.749 5.357 1.00 0.00 C ATOM 0 H LEU A 86 0.917 -9.911 5.560 1.00 0.00 H new ATOM 0 HA LEU A 86 3.122 -8.664 6.873 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.524 -9.139 3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.060 -8.604 4.615 1.00 0.00 H new ATOM 0 HG LEU A 86 3.056 -11.069 5.866 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.556 -12.523 3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.161 -11.463 3.638 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.743 -11.087 2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.372 -11.795 5.482 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.678 -10.311 4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.292 -10.208 6.282 1.00 0.00 H new ATOM 1315 N MET A 87 1.016 -6.761 5.296 1.00 0.00 N ATOM 1316 CA MET A 87 0.630 -5.379 5.068 1.00 0.00 C ATOM 1317 C MET A 87 -0.071 -4.796 6.297 1.00 0.00 C ATOM 1318 O MET A 87 -1.048 -4.059 6.167 1.00 0.00 O ATOM 1319 CB MET A 87 -0.307 -5.303 3.861 1.00 0.00 C ATOM 1320 CG MET A 87 0.359 -5.884 2.612 1.00 0.00 C ATOM 1321 SD MET A 87 1.736 -4.858 2.122 1.00 0.00 S ATOM 1322 CE MET A 87 0.964 -3.250 2.190 1.00 0.00 C ATOM 0 H MET A 87 0.325 -7.451 5.001 1.00 0.00 H new ATOM 0 HA MET A 87 1.531 -4.796 4.876 1.00 0.00 H new ATOM 0 HB2 MET A 87 -1.226 -5.849 4.075 1.00 0.00 H new ATOM 0 HB3 MET A 87 -0.587 -4.266 3.679 1.00 0.00 H new ATOM 0 HG2 MET A 87 0.704 -6.899 2.812 1.00 0.00 H new ATOM 0 HG3 MET A 87 -0.365 -5.948 1.800 1.00 0.00 H new ATOM 0 HE1 MET A 87 1.431 -2.591 1.458 1.00 0.00 H new ATOM 0 HE2 MET A 87 -0.098 -3.347 1.966 1.00 0.00 H new ATOM 0 HE3 MET A 87 1.087 -2.829 3.188 1.00 0.00 H new ATOM 1332 N LYS A 88 0.454 -5.149 7.461 1.00 0.00 N ATOM 1333 CA LYS A 88 -0.110 -4.670 8.712 1.00 0.00 C ATOM 1334 C LYS A 88 0.305 -3.213 8.928 1.00 0.00 C ATOM 1335 O LYS A 88 1.300 -2.758 8.367 1.00 0.00 O ATOM 1336 CB LYS A 88 0.279 -5.598 9.864 1.00 0.00 C ATOM 1337 CG LYS A 88 -0.822 -6.625 10.136 1.00 0.00 C ATOM 1338 CD LYS A 88 -1.338 -6.509 11.572 1.00 0.00 C ATOM 1339 CE LYS A 88 -1.034 -7.779 12.369 1.00 0.00 C ATOM 1340 NZ LYS A 88 -1.993 -7.932 13.485 1.00 0.00 N ATOM 0 H LYS A 88 1.264 -5.761 7.564 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.199 -4.689 8.672 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.209 -6.112 9.623 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.463 -5.010 10.763 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.645 -6.475 9.437 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.437 -7.630 9.964 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.876 -5.650 12.060 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.413 -6.330 11.562 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.088 -8.648 11.714 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.017 -7.736 12.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.773 -8.799 14.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.922 -7.110 14.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.960 -7.994 13.106 1.00 0.00 H new ATOM 1354 N PRO A 89 -0.500 -2.505 9.765 1.00 0.00 N ATOM 1355 CA PRO A 89 -0.226 -1.109 10.062 1.00 0.00 C ATOM 1356 C PRO A 89 0.954 -0.975 11.028 1.00 0.00 C ATOM 1357 O PRO A 89 1.014 -1.671 12.040 1.00 0.00 O ATOM 1358 CB PRO A 89 -1.526 -0.567 10.634 1.00 0.00 C ATOM 1359 CG PRO A 89 -2.330 -1.782 11.068 1.00 0.00 C ATOM 1360 CD PRO A 89 -1.687 -3.012 10.447 1.00 0.00 C ATOM 0 HA PRO A 89 0.074 -0.542 9.181 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.335 0.096 11.478 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -2.068 0.014 9.888 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -2.341 -1.864 12.155 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.367 -1.689 10.745 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.423 -3.747 11.207 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.365 -3.504 9.749 1.00 0.00 H new ATOM 1368 N GLY A 90 1.862 -0.075 10.680 1.00 0.00 N ATOM 1369 CA GLY A 90 3.036 0.159 11.503 1.00 0.00 C ATOM 1370 C GLY A 90 4.085 -0.934 11.284 1.00 0.00 C ATOM 1371 O GLY A 90 4.874 -1.230 12.181 1.00 0.00 O ATOM 0 H GLY A 90 1.808 0.501 9.840 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.464 1.132 11.264 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.748 0.187 12.554 1.00 0.00 H new ATOM 1375 N ALA A 91 4.061 -1.502 10.088 1.00 0.00 N ATOM 1376 CA ALA A 91 5.000 -2.555 9.740 1.00 0.00 C ATOM 1377 C ALA A 91 5.702 -2.194 8.429 1.00 0.00 C ATOM 1378 O ALA A 91 5.153 -1.459 7.610 1.00 0.00 O ATOM 1379 CB ALA A 91 4.261 -3.892 9.658 1.00 0.00 C ATOM 0 H ALA A 91 3.406 -1.253 9.347 1.00 0.00 H new ATOM 0 HA ALA A 91 5.767 -2.654 10.508 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.965 -4.682 9.397 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.806 -4.116 10.623 1.00 0.00 H new ATOM 0 HB3 ALA A 91 3.484 -3.832 8.896 1.00 0.00 H new ATOM 1385 N THR A 92 6.904 -2.729 8.272 1.00 0.00 N ATOM 1386 CA THR A 92 7.685 -2.473 7.074 1.00 0.00 C ATOM 1387 C THR A 92 7.730 -3.721 6.189 1.00 0.00 C ATOM 1388 O THR A 92 8.028 -4.814 6.666 1.00 0.00 O ATOM 1389 CB THR A 92 9.069 -1.987 7.508 1.00 0.00 C ATOM 1390 OG1 THR A 92 8.795 -0.977 8.476 1.00 0.00 O ATOM 1391 CG2 THR A 92 9.805 -1.243 6.392 1.00 0.00 C ATOM 0 H THR A 92 7.356 -3.338 8.954 1.00 0.00 H new ATOM 0 HA THR A 92 7.227 -1.695 6.462 1.00 0.00 H new ATOM 0 HB THR A 92 9.667 -2.839 7.832 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.140 -0.345 8.113 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.781 -0.920 6.753 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.935 -1.906 5.537 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.223 -0.372 6.090 1.00 0.00 H new ATOM 1399 N VAL A 93 7.428 -3.515 4.915 1.00 0.00 N ATOM 1400 CA VAL A 93 7.430 -4.609 3.960 1.00 0.00 C ATOM 1401 C VAL A 93 7.894 -4.090 2.597 1.00 0.00 C ATOM 1402 O VAL A 93 7.786 -2.898 2.313 1.00 0.00 O ATOM 1403 CB VAL A 93 6.048 -5.263 3.910 1.00 0.00 C ATOM 1404 CG1 VAL A 93 5.673 -5.855 5.270 1.00 0.00 C ATOM 1405 CG2 VAL A 93 4.987 -4.268 3.435 1.00 0.00 C ATOM 0 H VAL A 93 7.180 -2.607 4.523 1.00 0.00 H new ATOM 0 HA VAL A 93 8.131 -5.384 4.270 1.00 0.00 H new ATOM 0 HB VAL A 93 6.089 -6.079 3.188 1.00 0.00 H new ATOM 0 HG11 VAL A 93 4.686 -6.314 5.207 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.407 -6.610 5.553 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.658 -5.064 6.020 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.014 -4.759 3.409 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.948 -3.422 4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.242 -3.914 2.436 1.00 0.00 H new ATOM 1415 N ILE A 94 8.402 -5.010 1.791 1.00 0.00 N ATOM 1416 CA ILE A 94 8.884 -4.660 0.465 1.00 0.00 C ATOM 1417 C ILE A 94 7.974 -5.297 -0.587 1.00 0.00 C ATOM 1418 O ILE A 94 7.348 -6.325 -0.332 1.00 0.00 O ATOM 1419 CB ILE A 94 10.358 -5.038 0.314 1.00 0.00 C ATOM 1420 CG1 ILE A 94 11.266 -3.927 0.845 1.00 0.00 C ATOM 1421 CG2 ILE A 94 10.685 -5.402 -1.136 1.00 0.00 C ATOM 1422 CD1 ILE A 94 12.717 -4.405 0.944 1.00 0.00 C ATOM 0 H ILE A 94 8.491 -5.998 2.030 1.00 0.00 H new ATOM 0 HA ILE A 94 8.839 -3.581 0.315 1.00 0.00 H new ATOM 0 HB ILE A 94 10.547 -5.925 0.919 1.00 0.00 H new ATOM 0 HG12 ILE A 94 11.209 -3.060 0.187 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.917 -3.605 1.826 1.00 0.00 H new ATOM 0 HG21 ILE A 94 11.739 -5.667 -1.216 1.00 0.00 H new ATOM 0 HG22 ILE A 94 10.074 -6.250 -1.445 1.00 0.00 H new ATOM 0 HG23 ILE A 94 10.475 -4.549 -1.781 1.00 0.00 H new ATOM 0 HD11 ILE A 94 13.341 -3.596 1.324 1.00 0.00 H new ATOM 0 HD12 ILE A 94 12.774 -5.257 1.622 1.00 0.00 H new ATOM 0 HD13 ILE A 94 13.070 -4.703 -0.043 1.00 0.00 H new ATOM 1434 N LEU A 95 7.930 -4.661 -1.749 1.00 0.00 N ATOM 1435 CA LEU A 95 7.108 -5.152 -2.841 1.00 0.00 C ATOM 1436 C LEU A 95 8.012 -5.634 -3.977 1.00 0.00 C ATOM 1437 O LEU A 95 8.741 -4.843 -4.574 1.00 0.00 O ATOM 1438 CB LEU A 95 6.095 -4.088 -3.270 1.00 0.00 C ATOM 1439 CG LEU A 95 4.667 -4.275 -2.753 1.00 0.00 C ATOM 1440 CD1 LEU A 95 4.663 -4.599 -1.258 1.00 0.00 C ATOM 1441 CD2 LEU A 95 3.803 -3.054 -3.078 1.00 0.00 C ATOM 0 H LEU A 95 8.451 -3.809 -1.957 1.00 0.00 H new ATOM 0 HA LEU A 95 6.517 -6.009 -2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.456 -3.115 -2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.065 -4.061 -4.359 1.00 0.00 H new ATOM 0 HG LEU A 95 4.226 -5.128 -3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.636 -4.727 -0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.221 -5.519 -1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.129 -3.782 -0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.793 -3.212 -2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.232 -2.169 -2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.768 -2.910 -4.158 1.00 0.00 H new ATOM 1453 N ARG A 96 7.935 -6.930 -4.243 1.00 0.00 N ATOM 1454 CA ARG A 96 8.737 -7.527 -5.297 1.00 0.00 C ATOM 1455 C ARG A 96 7.840 -8.004 -6.441 1.00 0.00 C ATOM 1456 O ARG A 96 6.982 -8.863 -6.245 1.00 0.00 O ATOM 1457 CB ARG A 96 9.549 -8.711 -4.768 1.00 0.00 C ATOM 1458 CG ARG A 96 10.764 -8.230 -3.972 1.00 0.00 C ATOM 1459 CD ARG A 96 11.348 -9.363 -3.125 1.00 0.00 C ATOM 1460 NE ARG A 96 12.676 -9.753 -3.647 1.00 0.00 N ATOM 1461 CZ ARG A 96 13.379 -10.804 -3.203 1.00 0.00 C ATOM 1462 NH1 ARG A 96 12.885 -11.575 -2.225 1.00 0.00 N ATOM 1463 NH2 ARG A 96 14.576 -11.083 -3.736 1.00 0.00 N ATOM 0 H ARG A 96 7.329 -7.583 -3.746 1.00 0.00 H new ATOM 0 HA ARG A 96 9.424 -6.764 -5.663 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.919 -9.335 -4.135 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.878 -9.332 -5.601 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.525 -7.853 -4.655 1.00 0.00 H new ATOM 0 HG3 ARG A 96 10.475 -7.400 -3.327 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.436 -9.043 -2.087 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.676 -10.221 -3.139 1.00 0.00 H new ATOM 0 HE ARG A 96 13.082 -9.186 -4.392 1.00 0.00 H new ATOM 0 HH11 ARG A 96 11.974 -11.362 -1.819 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.420 -12.375 -1.887 1.00 0.00 H new ATOM 0 HH21 ARG A 96 14.952 -10.495 -4.480 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.111 -11.883 -3.398 1.00 0.00 H new ATOM 1477 N ASN A 97 8.070 -7.425 -7.611 1.00 0.00 N ATOM 1478 CA ASN A 97 7.293 -7.780 -8.787 1.00 0.00 C ATOM 1479 C ASN A 97 5.914 -7.124 -8.699 1.00 0.00 C ATOM 1480 O ASN A 97 4.924 -7.686 -9.167 1.00 0.00 O ATOM 1481 CB ASN A 97 7.092 -9.294 -8.877 1.00 0.00 C ATOM 1482 CG ASN A 97 7.507 -9.821 -10.252 1.00 0.00 C ATOM 1483 OD1 ASN A 97 6.487 -10.201 -11.016 1.00 0.00 O flip ATOM 1484 ND2 ASN A 97 8.676 -9.879 -10.596 1.00 0.00 N flip ATOM 0 H ASN A 97 8.783 -6.713 -7.770 1.00 0.00 H new ATOM 0 HA ASN A 97 7.836 -7.435 -9.667 1.00 0.00 H new ATOM 0 HB2 ASN A 97 7.677 -9.789 -8.102 1.00 0.00 H new ATOM 0 HB3 ASN A 97 6.046 -9.537 -8.691 1.00 0.00 H new ATOM 0 HD21 ASN A 97 9.411 -9.570 -9.959 1.00 0.00 H new ATOM 0 HD22 ASN A 97 8.919 -10.236 -11.520 1.00 0.00 H new ATOM 1491 N SER A 98 5.892 -5.945 -8.095 1.00 0.00 N ATOM 1492 CA SER A 98 4.650 -5.207 -7.940 1.00 0.00 C ATOM 1493 C SER A 98 4.293 -4.501 -9.250 1.00 0.00 C ATOM 1494 O SER A 98 5.164 -3.940 -9.914 1.00 0.00 O ATOM 1495 CB SER A 98 4.753 -4.190 -6.800 1.00 0.00 C ATOM 1496 OG SER A 98 5.795 -3.244 -7.021 1.00 0.00 O ATOM 0 H SER A 98 6.714 -5.483 -7.707 1.00 0.00 H new ATOM 0 HA SER A 98 3.860 -5.915 -7.690 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.803 -3.665 -6.695 1.00 0.00 H new ATOM 0 HB3 SER A 98 4.933 -4.714 -5.861 1.00 0.00 H new ATOM 0 HG SER A 98 6.664 -3.692 -6.953 1.00 0.00 H new ATOM 1502 N ARG A 99 3.012 -4.552 -9.582 1.00 0.00 N ATOM 1503 CA ARG A 99 2.529 -3.925 -10.801 1.00 0.00 C ATOM 1504 C ARG A 99 1.649 -2.720 -10.465 1.00 0.00 C ATOM 1505 O ARG A 99 1.155 -2.600 -9.344 1.00 0.00 O ATOM 1506 CB ARG A 99 1.726 -4.914 -11.648 1.00 0.00 C ATOM 1507 CG ARG A 99 0.448 -5.343 -10.926 1.00 0.00 C ATOM 1508 CD ARG A 99 -0.771 -4.606 -11.483 1.00 0.00 C ATOM 1509 NE ARG A 99 -1.727 -5.575 -12.064 1.00 0.00 N ATOM 1510 CZ ARG A 99 -1.655 -6.042 -13.317 1.00 0.00 C ATOM 1511 NH1 ARG A 99 -0.671 -5.633 -14.130 1.00 0.00 N ATOM 1512 NH2 ARG A 99 -2.567 -6.920 -13.759 1.00 0.00 N ATOM 0 H ARG A 99 2.293 -5.018 -9.028 1.00 0.00 H new ATOM 0 HA ARG A 99 3.398 -3.597 -11.372 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.472 -4.457 -12.604 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.336 -5.790 -11.866 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.308 -6.418 -11.035 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.543 -5.141 -9.859 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -1.255 -4.036 -10.690 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -0.458 -3.891 -12.244 1.00 0.00 H new ATOM 0 HE ARG A 99 -2.489 -5.908 -11.473 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.024 -4.966 -13.794 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.617 -5.989 -15.084 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -3.316 -7.232 -13.141 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -2.512 -7.276 -14.713 1.00 0.00 H new ATOM 1526 N ILE A 100 1.479 -1.857 -11.455 1.00 0.00 N ATOM 1527 CA ILE A 100 0.667 -0.665 -11.279 1.00 0.00 C ATOM 1528 C ILE A 100 -0.594 -0.780 -12.138 1.00 0.00 C ATOM 1529 O ILE A 100 -0.508 -0.925 -13.356 1.00 0.00 O ATOM 1530 CB ILE A 100 1.491 0.592 -11.563 1.00 0.00 C ATOM 1531 CG1 ILE A 100 2.572 0.791 -10.498 1.00 0.00 C ATOM 1532 CG2 ILE A 100 0.589 1.820 -11.700 1.00 0.00 C ATOM 1533 CD1 ILE A 100 1.960 1.259 -9.176 1.00 0.00 C ATOM 0 H ILE A 100 1.890 -1.959 -12.383 1.00 0.00 H new ATOM 0 HA ILE A 100 0.341 -0.577 -10.243 1.00 0.00 H new ATOM 0 HB ILE A 100 2.000 0.458 -12.518 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.111 -0.144 -10.343 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.300 1.524 -10.846 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.200 2.700 -11.902 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.110 1.668 -12.522 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.034 1.969 -10.774 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.750 1.393 -8.437 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.443 2.206 -9.330 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.251 0.512 -8.819 1.00 0.00 H new ATOM 1545 N ASP A 101 -1.736 -0.713 -11.469 1.00 0.00 N ATOM 1546 CA ASP A 101 -3.012 -0.808 -12.156 1.00 0.00 C ATOM 1547 C ASP A 101 -3.529 0.600 -12.461 1.00 0.00 C ATOM 1548 O ASP A 101 -3.664 1.424 -11.558 1.00 0.00 O ATOM 1549 CB ASP A 101 -4.054 -1.515 -11.286 1.00 0.00 C ATOM 1550 CG ASP A 101 -3.944 -1.234 -9.787 1.00 0.00 C ATOM 1551 OD1 ASP A 101 -2.895 -1.605 -9.215 1.00 0.00 O ATOM 1552 OD2 ASP A 101 -4.910 -0.654 -9.245 1.00 0.00 O ATOM 0 H ASP A 101 -1.804 -0.594 -10.458 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.860 -1.378 -13.073 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.047 -1.220 -11.624 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.969 -2.590 -11.446 1.00 0.00 H new ATOM 1557 N MET A 102 -3.803 0.831 -13.736 1.00 0.00 N ATOM 1558 CA MET A 102 -4.301 2.125 -14.171 1.00 0.00 C ATOM 1559 C MET A 102 -5.792 2.271 -13.861 1.00 0.00 C ATOM 1560 O MET A 102 -6.638 1.839 -14.644 1.00 0.00 O ATOM 1561 CB MET A 102 -4.075 2.279 -15.677 1.00 0.00 C ATOM 1562 CG MET A 102 -3.402 3.615 -15.996 1.00 0.00 C ATOM 1563 SD MET A 102 -4.524 4.961 -15.656 1.00 0.00 S ATOM 1564 CE MET A 102 -3.551 5.887 -14.480 1.00 0.00 C ATOM 0 H MET A 102 -3.690 0.144 -14.482 1.00 0.00 H new ATOM 0 HA MET A 102 -3.759 2.902 -13.632 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.455 1.459 -16.041 1.00 0.00 H new ATOM 0 HB3 MET A 102 -5.029 2.214 -16.200 1.00 0.00 H new ATOM 0 HG2 MET A 102 -2.496 3.727 -15.400 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.100 3.638 -17.043 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.193 6.592 -13.952 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.098 5.202 -13.763 1.00 0.00 H new ATOM 0 HE3 MET A 102 -2.767 6.433 -15.006 1.00 0.00 H new ATOM 1574 N PHE A 103 -6.069 2.880 -12.718 1.00 0.00 N ATOM 1575 CA PHE A 103 -7.444 3.088 -12.295 1.00 0.00 C ATOM 1576 C PHE A 103 -8.048 4.317 -12.977 1.00 0.00 C ATOM 1577 O PHE A 103 -7.321 5.204 -13.423 1.00 0.00 O ATOM 1578 CB PHE A 103 -7.416 3.321 -10.783 1.00 0.00 C ATOM 1579 CG PHE A 103 -8.802 3.396 -10.139 1.00 0.00 C ATOM 1580 CD1 PHE A 103 -9.797 2.575 -10.569 1.00 0.00 C ATOM 1581 CD2 PHE A 103 -9.039 4.283 -9.136 1.00 0.00 C ATOM 1582 CE1 PHE A 103 -11.083 2.644 -9.972 1.00 0.00 C ATOM 1583 CE2 PHE A 103 -10.325 4.353 -8.539 1.00 0.00 C ATOM 1584 CZ PHE A 103 -11.320 3.532 -8.969 1.00 0.00 C ATOM 0 H PHE A 103 -5.365 3.236 -12.071 1.00 0.00 H new ATOM 0 HA PHE A 103 -8.050 2.223 -12.563 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.851 2.517 -10.312 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.881 4.248 -10.578 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -9.609 1.870 -11.365 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -8.249 4.934 -8.793 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -11.873 1.992 -10.314 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -10.513 5.058 -7.743 1.00 0.00 H new ATOM 0 HZ PHE A 103 -12.298 3.585 -8.514 1.00 0.00 H new ATOM 1594 N LYS A 104 -9.371 4.330 -13.037 1.00 0.00 N ATOM 1595 CA LYS A 104 -10.081 5.436 -13.658 1.00 0.00 C ATOM 1596 C LYS A 104 -9.410 6.753 -13.263 1.00 0.00 C ATOM 1597 O LYS A 104 -9.675 7.291 -12.189 1.00 0.00 O ATOM 1598 CB LYS A 104 -11.570 5.377 -13.314 1.00 0.00 C ATOM 1599 CG LYS A 104 -12.209 4.098 -13.858 1.00 0.00 C ATOM 1600 CD LYS A 104 -13.704 4.297 -14.115 1.00 0.00 C ATOM 1601 CE LYS A 104 -14.533 3.847 -12.910 1.00 0.00 C ATOM 1602 NZ LYS A 104 -15.924 4.338 -13.026 1.00 0.00 N ATOM 0 H LYS A 104 -9.970 3.593 -12.666 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.025 5.363 -14.744 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.699 5.420 -12.233 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -12.078 6.247 -13.731 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -11.713 3.805 -14.784 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -12.064 3.284 -13.147 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -13.904 5.348 -14.326 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -14.003 3.732 -14.998 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -14.529 2.759 -12.844 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -14.084 4.223 -11.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -16.473 4.024 -12.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -15.923 5.377 -13.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -16.355 3.958 -13.893 1.00 0.00 H new ATOM 1616 N GLY A 105 -8.553 7.234 -14.152 1.00 0.00 N ATOM 1617 CA GLY A 105 -7.842 8.478 -13.910 1.00 0.00 C ATOM 1618 C GLY A 105 -7.024 8.399 -12.619 1.00 0.00 C ATOM 1619 O GLY A 105 -7.029 9.334 -11.820 1.00 0.00 O ATOM 0 H GLY A 105 -8.335 6.784 -15.041 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.182 8.693 -14.750 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -8.554 9.301 -13.844 1.00 0.00 H new ATOM 1623 N THR A 106 -6.342 7.275 -12.456 1.00 0.00 N ATOM 1624 CA THR A 106 -5.521 7.063 -11.276 1.00 0.00 C ATOM 1625 C THR A 106 -4.761 5.739 -11.387 1.00 0.00 C ATOM 1626 O THR A 106 -4.888 5.028 -12.382 1.00 0.00 O ATOM 1627 CB THR A 106 -6.430 7.140 -10.048 1.00 0.00 C ATOM 1628 OG1 THR A 106 -7.742 6.967 -10.575 1.00 0.00 O ATOM 1629 CG2 THR A 106 -6.459 8.539 -9.429 1.00 0.00 C ATOM 0 H THR A 106 -6.341 6.502 -13.121 1.00 0.00 H new ATOM 0 HA THR A 106 -4.757 7.834 -11.182 1.00 0.00 H new ATOM 0 HB THR A 106 -6.094 6.419 -9.302 1.00 0.00 H new ATOM 0 HG1 THR A 106 -8.150 6.168 -10.181 1.00 0.00 H new ATOM 0 HG21 THR A 106 -7.119 8.539 -8.561 1.00 0.00 H new ATOM 0 HG22 THR A 106 -5.453 8.821 -9.120 1.00 0.00 H new ATOM 0 HG23 THR A 106 -6.827 9.255 -10.164 1.00 0.00 H new ATOM 1637 N MET A 107 -3.988 5.450 -10.351 1.00 0.00 N ATOM 1638 CA MET A 107 -3.207 4.225 -10.319 1.00 0.00 C ATOM 1639 C MET A 107 -2.917 3.797 -8.879 1.00 0.00 C ATOM 1640 O MET A 107 -2.876 4.631 -7.976 1.00 0.00 O ATOM 1641 CB MET A 107 -1.888 4.440 -11.064 1.00 0.00 C ATOM 1642 CG MET A 107 -0.995 5.435 -10.320 1.00 0.00 C ATOM 1643 SD MET A 107 0.596 4.697 -9.987 1.00 0.00 S ATOM 1644 CE MET A 107 0.877 5.301 -8.331 1.00 0.00 C ATOM 0 H MET A 107 -3.886 6.043 -9.527 1.00 0.00 H new ATOM 0 HA MET A 107 -3.783 3.436 -10.803 1.00 0.00 H new ATOM 0 HB2 MET A 107 -1.367 3.488 -11.172 1.00 0.00 H new ATOM 0 HB3 MET A 107 -2.090 4.808 -12.070 1.00 0.00 H new ATOM 0 HG2 MET A 107 -0.868 6.339 -10.916 1.00 0.00 H new ATOM 0 HG3 MET A 107 -1.469 5.734 -9.385 1.00 0.00 H new ATOM 0 HE1 MET A 107 1.810 4.889 -7.947 1.00 0.00 H new ATOM 0 HE2 MET A 107 0.940 6.389 -8.346 1.00 0.00 H new ATOM 0 HE3 MET A 107 0.053 4.995 -7.687 1.00 0.00 H new ATOM 1654 N ARG A 108 -2.722 2.497 -8.710 1.00 0.00 N ATOM 1655 CA ARG A 108 -2.437 1.949 -7.395 1.00 0.00 C ATOM 1656 C ARG A 108 -1.352 0.874 -7.492 1.00 0.00 C ATOM 1657 O ARG A 108 -1.023 0.416 -8.586 1.00 0.00 O ATOM 1658 CB ARG A 108 -3.693 1.340 -6.767 1.00 0.00 C ATOM 1659 CG ARG A 108 -4.668 2.432 -6.323 1.00 0.00 C ATOM 1660 CD ARG A 108 -5.869 1.830 -5.592 1.00 0.00 C ATOM 1661 NE ARG A 108 -6.844 1.299 -6.571 1.00 0.00 N ATOM 1662 CZ ARG A 108 -6.786 0.067 -7.095 1.00 0.00 C ATOM 1663 NH1 ARG A 108 -5.801 -0.768 -6.737 1.00 0.00 N ATOM 1664 NH2 ARG A 108 -7.714 -0.330 -7.977 1.00 0.00 N ATOM 0 H ARG A 108 -2.756 1.808 -9.461 1.00 0.00 H new ATOM 0 HA ARG A 108 -2.089 2.767 -6.764 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -4.181 0.682 -7.486 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -3.415 0.726 -5.911 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -4.156 3.138 -5.669 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.011 2.994 -7.192 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -5.538 1.032 -4.927 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -6.343 2.588 -4.969 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.607 1.909 -6.865 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -5.095 -0.466 -6.065 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -5.757 -1.706 -7.136 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -8.464 0.306 -8.249 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.670 -1.268 -8.376 1.00 0.00 H new ATOM 1678 N LEU A 109 -0.826 0.503 -6.334 1.00 0.00 N ATOM 1679 CA LEU A 109 0.215 -0.509 -6.275 1.00 0.00 C ATOM 1680 C LEU A 109 -0.417 -1.867 -5.960 1.00 0.00 C ATOM 1681 O LEU A 109 -1.304 -1.961 -5.114 1.00 0.00 O ATOM 1682 CB LEU A 109 1.309 -0.096 -5.289 1.00 0.00 C ATOM 1683 CG LEU A 109 2.602 -0.912 -5.340 1.00 0.00 C ATOM 1684 CD1 LEU A 109 3.241 -0.841 -6.728 1.00 0.00 C ATOM 1685 CD2 LEU A 109 3.571 -0.475 -4.239 1.00 0.00 C ATOM 0 H LEU A 109 -1.101 0.885 -5.429 1.00 0.00 H new ATOM 0 HA LEU A 109 0.709 -0.604 -7.242 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.556 0.950 -5.469 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.903 -0.159 -4.279 1.00 0.00 H new ATOM 0 HG LEU A 109 2.354 -1.957 -5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 109 4.158 -1.430 -6.737 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.547 -1.239 -7.469 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.473 0.196 -6.969 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.482 -1.071 -4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.818 0.579 -4.369 1.00 0.00 H new ATOM 0 HD23 LEU A 109 3.104 -0.621 -3.265 1.00 0.00 H new ATOM 1697 N GLY A 110 0.066 -2.884 -6.658 1.00 0.00 N ATOM 1698 CA GLY A 110 -0.441 -4.232 -6.463 1.00 0.00 C ATOM 1699 C GLY A 110 0.634 -5.273 -6.785 1.00 0.00 C ATOM 1700 O GLY A 110 1.637 -4.959 -7.423 1.00 0.00 O ATOM 0 H GLY A 110 0.802 -2.802 -7.359 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.774 -4.354 -5.432 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -1.311 -4.393 -7.100 1.00 0.00 H new ATOM 1704 N VAL A 111 0.387 -6.492 -6.327 1.00 0.00 N ATOM 1705 CA VAL A 111 1.320 -7.581 -6.558 1.00 0.00 C ATOM 1706 C VAL A 111 0.609 -8.705 -7.314 1.00 0.00 C ATOM 1707 O VAL A 111 -0.307 -9.332 -6.784 1.00 0.00 O ATOM 1708 CB VAL A 111 1.924 -8.043 -5.230 1.00 0.00 C ATOM 1709 CG1 VAL A 111 2.327 -9.518 -5.295 1.00 0.00 C ATOM 1710 CG2 VAL A 111 3.114 -7.166 -4.835 1.00 0.00 C ATOM 0 H VAL A 111 -0.446 -6.749 -5.797 1.00 0.00 H new ATOM 0 HA VAL A 111 2.151 -7.246 -7.179 1.00 0.00 H new ATOM 0 HB VAL A 111 1.160 -7.938 -4.459 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.753 -9.821 -4.339 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.448 -10.126 -5.510 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.067 -9.659 -6.083 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.525 -7.515 -3.888 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.881 -7.225 -5.607 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.785 -6.132 -4.728 1.00 0.00 H new ATOM 1720 N ASP A 112 1.057 -8.926 -8.542 1.00 0.00 N ATOM 1721 CA ASP A 112 0.475 -9.963 -9.376 1.00 0.00 C ATOM 1722 C ASP A 112 0.817 -11.334 -8.790 1.00 0.00 C ATOM 1723 O ASP A 112 1.553 -11.428 -7.809 1.00 0.00 O ATOM 1724 CB ASP A 112 1.035 -9.904 -10.799 1.00 0.00 C ATOM 1725 CG ASP A 112 2.525 -9.569 -10.894 1.00 0.00 C ATOM 1726 OD1 ASP A 112 2.843 -8.364 -10.802 1.00 0.00 O ATOM 1727 OD2 ASP A 112 3.312 -10.526 -11.057 1.00 0.00 O ATOM 0 H ASP A 112 1.817 -8.404 -8.979 1.00 0.00 H new ATOM 0 HA ASP A 112 -0.603 -9.806 -9.406 1.00 0.00 H new ATOM 0 HB2 ASP A 112 0.863 -10.866 -11.281 1.00 0.00 H new ATOM 0 HB3 ASP A 112 0.474 -9.159 -11.364 1.00 0.00 H new ATOM 1732 N LYS A 113 0.266 -12.364 -9.416 1.00 0.00 N ATOM 1733 CA LYS A 113 0.504 -13.726 -8.969 1.00 0.00 C ATOM 1734 C LYS A 113 1.989 -14.057 -9.123 1.00 0.00 C ATOM 1735 O LYS A 113 2.493 -14.978 -8.482 1.00 0.00 O ATOM 1736 CB LYS A 113 -0.423 -14.699 -9.701 1.00 0.00 C ATOM 1737 CG LYS A 113 -0.189 -14.647 -11.212 1.00 0.00 C ATOM 1738 CD LYS A 113 -0.839 -15.844 -11.909 1.00 0.00 C ATOM 1739 CE LYS A 113 0.120 -17.036 -11.961 1.00 0.00 C ATOM 1740 NZ LYS A 113 -0.380 -18.141 -11.113 1.00 0.00 N ATOM 0 H LYS A 113 -0.344 -12.282 -10.229 1.00 0.00 H new ATOM 0 HA LYS A 113 0.263 -13.828 -7.911 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -0.253 -15.712 -9.338 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -1.462 -14.452 -9.481 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -0.598 -13.721 -11.615 1.00 0.00 H new ATOM 0 HG3 LYS A 113 0.881 -14.639 -11.418 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -1.749 -16.127 -11.380 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -1.133 -15.565 -12.921 1.00 0.00 H new ATOM 0 HE2 LYS A 113 0.227 -17.379 -12.990 1.00 0.00 H new ATOM 0 HE3 LYS A 113 1.110 -16.729 -11.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 0.282 -18.941 -11.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -0.460 -17.815 -10.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -1.315 -18.445 -11.454 1.00 0.00 H new ATOM 1754 N TRP A 114 2.649 -13.288 -9.977 1.00 0.00 N ATOM 1755 CA TRP A 114 4.067 -13.488 -10.223 1.00 0.00 C ATOM 1756 C TRP A 114 4.844 -12.530 -9.318 1.00 0.00 C ATOM 1757 O TRP A 114 6.003 -12.219 -9.587 1.00 0.00 O ATOM 1758 CB TRP A 114 4.396 -13.309 -11.706 1.00 0.00 C ATOM 1759 CG TRP A 114 3.389 -13.967 -12.651 1.00 0.00 C ATOM 1760 CD1 TRP A 114 2.250 -13.450 -13.133 1.00 0.00 C ATOM 1761 CD2 TRP A 114 3.477 -15.293 -13.213 1.00 0.00 C ATOM 1762 NE1 TRP A 114 1.600 -14.343 -13.961 1.00 0.00 N ATOM 1763 CE2 TRP A 114 2.370 -15.499 -14.011 1.00 0.00 C ATOM 1764 CE3 TRP A 114 4.459 -16.287 -13.053 1.00 0.00 C ATOM 1765 CZ2 TRP A 114 2.140 -16.690 -14.712 1.00 0.00 C ATOM 1766 CZ3 TRP A 114 4.214 -17.470 -13.759 1.00 0.00 C ATOM 1767 CH2 TRP A 114 3.105 -17.693 -14.566 1.00 0.00 C ATOM 0 H TRP A 114 2.228 -12.525 -10.507 1.00 0.00 H new ATOM 0 HA TRP A 114 4.360 -14.510 -9.981 1.00 0.00 H new ATOM 0 HB2 TRP A 114 4.447 -12.244 -11.930 1.00 0.00 H new ATOM 0 HB3 TRP A 114 5.385 -13.723 -11.901 1.00 0.00 H new ATOM 0 HD1 TRP A 114 1.887 -12.459 -12.903 1.00 0.00 H new ATOM 0 HE1 TRP A 114 0.717 -14.184 -14.447 1.00 0.00 H new ATOM 0 HE3 TRP A 114 5.333 -16.148 -12.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 1.266 -16.827 -15.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 4.938 -18.266 -13.670 1.00 0.00 H new ATOM 0 HH2 TRP A 114 2.988 -18.636 -15.078 1.00 0.00 H new ATOM 1778 N GLY A 115 4.174 -12.089 -8.264 1.00 0.00 N ATOM 1779 CA GLY A 115 4.787 -11.172 -7.317 1.00 0.00 C ATOM 1780 C GLY A 115 4.365 -11.500 -5.884 1.00 0.00 C ATOM 1781 O GLY A 115 3.254 -11.976 -5.654 1.00 0.00 O ATOM 0 H GLY A 115 3.213 -12.349 -8.044 1.00 0.00 H new ATOM 0 HA2 GLY A 115 5.872 -11.228 -7.402 1.00 0.00 H new ATOM 0 HA3 GLY A 115 4.500 -10.149 -7.559 1.00 0.00 H new ATOM 1785 N ARG A 116 5.273 -11.233 -4.957 1.00 0.00 N ATOM 1786 CA ARG A 116 5.009 -11.494 -3.553 1.00 0.00 C ATOM 1787 C ARG A 116 5.673 -10.427 -2.680 1.00 0.00 C ATOM 1788 O ARG A 116 6.411 -9.581 -3.183 1.00 0.00 O ATOM 1789 CB ARG A 116 5.527 -12.874 -3.141 1.00 0.00 C ATOM 1790 CG ARG A 116 7.056 -12.889 -3.081 1.00 0.00 C ATOM 1791 CD ARG A 116 7.661 -12.803 -4.484 1.00 0.00 C ATOM 1792 NE ARG A 116 8.586 -13.937 -4.707 1.00 0.00 N ATOM 1793 CZ ARG A 116 9.014 -14.331 -5.914 1.00 0.00 C ATOM 1794 NH1 ARG A 116 8.604 -13.686 -7.014 1.00 0.00 N ATOM 1795 NH2 ARG A 116 9.853 -15.371 -6.020 1.00 0.00 N ATOM 0 H ARG A 116 6.193 -10.838 -5.151 1.00 0.00 H new ATOM 0 HA ARG A 116 3.929 -11.466 -3.409 1.00 0.00 H new ATOM 0 HB2 ARG A 116 5.118 -13.144 -2.167 1.00 0.00 H new ATOM 0 HB3 ARG A 116 5.180 -13.624 -3.852 1.00 0.00 H new ATOM 0 HG2 ARG A 116 7.408 -12.052 -2.477 1.00 0.00 H new ATOM 0 HG3 ARG A 116 7.395 -13.801 -2.590 1.00 0.00 H new ATOM 0 HD2 ARG A 116 6.868 -12.817 -5.232 1.00 0.00 H new ATOM 0 HD3 ARG A 116 8.194 -11.860 -4.602 1.00 0.00 H new ATOM 0 HE ARG A 116 8.918 -14.451 -3.891 1.00 0.00 H new ATOM 0 HH11 ARG A 116 7.966 -12.895 -6.933 1.00 0.00 H new ATOM 0 HH12 ARG A 116 8.930 -13.986 -7.933 1.00 0.00 H new ATOM 0 HH21 ARG A 116 10.165 -15.862 -5.182 1.00 0.00 H new ATOM 0 HH22 ARG A 116 10.179 -15.672 -6.939 1.00 0.00 H new ATOM 1809 N ILE A 117 5.385 -10.500 -1.389 1.00 0.00 N ATOM 1810 CA ILE A 117 5.945 -9.551 -0.442 1.00 0.00 C ATOM 1811 C ILE A 117 7.210 -10.144 0.181 1.00 0.00 C ATOM 1812 O ILE A 117 7.391 -11.361 0.187 1.00 0.00 O ATOM 1813 CB ILE A 117 4.891 -9.134 0.585 1.00 0.00 C ATOM 1814 CG1 ILE A 117 3.714 -8.428 -0.092 1.00 0.00 C ATOM 1815 CG2 ILE A 117 5.512 -8.279 1.692 1.00 0.00 C ATOM 1816 CD1 ILE A 117 2.695 -7.946 0.942 1.00 0.00 C ATOM 0 H ILE A 117 4.771 -11.202 -0.976 1.00 0.00 H new ATOM 0 HA ILE A 117 6.241 -8.634 -0.952 1.00 0.00 H new ATOM 0 HB ILE A 117 4.498 -10.035 1.056 1.00 0.00 H new ATOM 0 HG12 ILE A 117 4.079 -7.580 -0.671 1.00 0.00 H new ATOM 0 HG13 ILE A 117 3.232 -9.109 -0.793 1.00 0.00 H new ATOM 0 HG21 ILE A 117 4.741 -7.996 2.409 1.00 0.00 H new ATOM 0 HG22 ILE A 117 6.288 -8.850 2.201 1.00 0.00 H new ATOM 0 HG23 ILE A 117 5.949 -7.381 1.256 1.00 0.00 H new ATOM 0 HD11 ILE A 117 1.869 -7.448 0.434 1.00 0.00 H new ATOM 0 HD12 ILE A 117 2.314 -8.800 1.503 1.00 0.00 H new ATOM 0 HD13 ILE A 117 3.175 -7.247 1.627 1.00 0.00 H new ATOM 1828 N GLU A 118 8.052 -9.257 0.690 1.00 0.00 N ATOM 1829 CA GLU A 118 9.295 -9.678 1.314 1.00 0.00 C ATOM 1830 C GLU A 118 9.156 -9.662 2.838 1.00 0.00 C ATOM 1831 O GLU A 118 9.538 -10.618 3.510 1.00 0.00 O ATOM 1832 CB GLU A 118 10.462 -8.799 0.861 1.00 0.00 C ATOM 1833 CG GLU A 118 11.804 -9.447 1.205 1.00 0.00 C ATOM 1834 CD GLU A 118 11.812 -10.928 0.821 1.00 0.00 C ATOM 1835 OE1 GLU A 118 11.271 -11.237 -0.263 1.00 0.00 O ATOM 1836 OE2 GLU A 118 12.357 -11.719 1.621 1.00 0.00 O ATOM 0 H GLU A 118 7.898 -8.249 0.683 1.00 0.00 H new ATOM 0 HA GLU A 118 9.509 -10.699 0.999 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.400 -8.632 -0.214 1.00 0.00 H new ATOM 0 HB3 GLU A 118 10.393 -7.822 1.339 1.00 0.00 H new ATOM 0 HG2 GLU A 118 12.607 -8.928 0.682 1.00 0.00 H new ATOM 0 HG3 GLU A 118 11.999 -9.343 2.272 1.00 0.00 H new ATOM 1843 N ALA A 119 8.607 -8.564 3.338 1.00 0.00 N ATOM 1844 CA ALA A 119 8.413 -8.411 4.770 1.00 0.00 C ATOM 1845 C ALA A 119 9.718 -7.932 5.409 1.00 0.00 C ATOM 1846 O ALA A 119 10.157 -8.481 6.418 1.00 0.00 O ATOM 1847 CB ALA A 119 7.924 -9.733 5.364 1.00 0.00 C ATOM 0 H ALA A 119 8.291 -7.773 2.777 1.00 0.00 H new ATOM 0 HA ALA A 119 7.650 -7.660 4.975 1.00 0.00 H new ATOM 0 HB1 ALA A 119 7.779 -9.618 6.438 1.00 0.00 H new ATOM 0 HB2 ALA A 119 6.979 -10.014 4.898 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.665 -10.511 5.180 1.00 0.00 H new ATOM 1853 N THR A 120 10.302 -6.914 4.794 1.00 0.00 N ATOM 1854 CA THR A 120 11.548 -6.355 5.291 1.00 0.00 C ATOM 1855 C THR A 120 11.454 -6.093 6.795 1.00 0.00 C ATOM 1856 O THR A 120 10.377 -6.200 7.381 1.00 0.00 O ATOM 1857 CB THR A 120 11.862 -5.100 4.474 1.00 0.00 C ATOM 1858 OG1 THR A 120 12.927 -4.478 5.188 1.00 0.00 O ATOM 1859 CG2 THR A 120 10.730 -4.072 4.523 1.00 0.00 C ATOM 0 H THR A 120 9.936 -6.462 3.956 1.00 0.00 H new ATOM 0 HA THR A 120 12.373 -7.057 5.167 1.00 0.00 H new ATOM 0 HB THR A 120 12.054 -5.380 3.438 1.00 0.00 H new ATOM 0 HG1 THR A 120 13.744 -5.009 5.085 1.00 0.00 H new ATOM 0 HG21 THR A 120 11.003 -3.201 3.927 1.00 0.00 H new ATOM 0 HG22 THR A 120 9.819 -4.515 4.121 1.00 0.00 H new ATOM 0 HG23 THR A 120 10.560 -3.767 5.555 1.00 0.00 H new ATOM 1867 N GLY A 121 12.595 -5.756 7.378 1.00 0.00 N ATOM 1868 CA GLY A 121 12.655 -5.478 8.802 1.00 0.00 C ATOM 1869 C GLY A 121 11.749 -4.301 9.170 1.00 0.00 C ATOM 1870 O GLY A 121 10.526 -4.434 9.182 1.00 0.00 O ATOM 0 H GLY A 121 13.486 -5.669 6.889 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.353 -6.363 9.362 1.00 0.00 H new ATOM 0 HA3 GLY A 121 13.682 -5.254 9.089 1.00 0.00 H new ATOM 1874 N ALA A 122 12.384 -3.176 9.461 1.00 0.00 N ATOM 1875 CA ALA A 122 11.651 -1.976 9.827 1.00 0.00 C ATOM 1876 C ALA A 122 12.048 -0.834 8.889 1.00 0.00 C ATOM 1877 O ALA A 122 13.140 -0.842 8.324 1.00 0.00 O ATOM 1878 CB ALA A 122 11.919 -1.643 11.297 1.00 0.00 C ATOM 0 H ALA A 122 13.398 -3.070 9.451 1.00 0.00 H new ATOM 0 HA ALA A 122 10.578 -2.134 9.718 1.00 0.00 H new ATOM 0 HB1 ALA A 122 11.369 -0.743 11.572 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.593 -2.473 11.923 1.00 0.00 H new ATOM 0 HB3 ALA A 122 12.986 -1.476 11.443 1.00 0.00 H new ATOM 1884 N ALA A 123 11.139 0.120 8.753 1.00 0.00 N ATOM 1885 CA ALA A 123 11.381 1.267 7.893 1.00 0.00 C ATOM 1886 C ALA A 123 12.265 2.274 8.631 1.00 0.00 C ATOM 1887 O ALA A 123 12.118 2.469 9.836 1.00 0.00 O ATOM 1888 CB ALA A 123 10.044 1.871 7.461 1.00 0.00 C ATOM 0 H ALA A 123 10.234 0.123 9.223 1.00 0.00 H new ATOM 0 HA ALA A 123 11.910 0.965 6.989 1.00 0.00 H new ATOM 0 HB1 ALA A 123 10.225 2.731 6.816 1.00 0.00 H new ATOM 0 HB2 ALA A 123 9.466 1.124 6.916 1.00 0.00 H new ATOM 0 HB3 ALA A 123 9.487 2.189 8.342 1.00 0.00 H new ATOM 1894 N SER A 124 13.164 2.888 7.875 1.00 0.00 N ATOM 1895 CA SER A 124 14.072 3.871 8.442 1.00 0.00 C ATOM 1896 C SER A 124 13.728 5.266 7.915 1.00 0.00 C ATOM 1897 O SER A 124 14.473 6.219 8.139 1.00 0.00 O ATOM 1898 CB SER A 124 15.527 3.526 8.121 1.00 0.00 C ATOM 1899 OG SER A 124 16.418 3.968 9.141 1.00 0.00 O ATOM 0 H SER A 124 13.283 2.724 6.875 1.00 0.00 H new ATOM 0 HA SER A 124 13.955 3.860 9.526 1.00 0.00 H new ATOM 0 HB2 SER A 124 15.625 2.448 7.997 1.00 0.00 H new ATOM 0 HB3 SER A 124 15.807 3.983 7.172 1.00 0.00 H new ATOM 0 HG SER A 124 17.337 3.728 8.899 1.00 0.00 H new ATOM 1905 N PHE A 125 12.600 5.341 7.224 1.00 0.00 N ATOM 1906 CA PHE A 125 12.149 6.604 6.664 1.00 0.00 C ATOM 1907 C PHE A 125 10.734 6.940 7.138 1.00 0.00 C ATOM 1908 O PHE A 125 9.988 6.054 7.555 1.00 0.00 O ATOM 1909 CB PHE A 125 12.139 6.439 5.142 1.00 0.00 C ATOM 1910 CG PHE A 125 11.397 5.192 4.656 1.00 0.00 C ATOM 1911 CD1 PHE A 125 10.048 5.101 4.806 1.00 0.00 C ATOM 1912 CD2 PHE A 125 12.086 4.175 4.074 1.00 0.00 C ATOM 1913 CE1 PHE A 125 9.360 3.944 4.355 1.00 0.00 C ATOM 1914 CE2 PHE A 125 11.398 3.017 3.623 1.00 0.00 C ATOM 1915 CZ PHE A 125 10.049 2.927 3.773 1.00 0.00 C ATOM 0 H PHE A 125 11.985 4.548 7.039 1.00 0.00 H new ATOM 0 HA PHE A 125 12.810 7.410 6.982 1.00 0.00 H new ATOM 0 HB2 PHE A 125 11.679 7.320 4.694 1.00 0.00 H new ATOM 0 HB3 PHE A 125 13.168 6.400 4.784 1.00 0.00 H new ATOM 0 HD1 PHE A 125 9.500 5.909 5.268 1.00 0.00 H new ATOM 0 HD2 PHE A 125 13.157 4.247 3.954 1.00 0.00 H new ATOM 0 HE1 PHE A 125 8.289 3.872 4.474 1.00 0.00 H new ATOM 0 HE2 PHE A 125 11.946 2.209 3.161 1.00 0.00 H new ATOM 0 HZ PHE A 125 9.525 2.047 3.430 1.00 0.00 H new ATOM 1925 N THR A 126 10.406 8.221 7.059 1.00 0.00 N ATOM 1926 CA THR A 126 9.094 8.685 7.475 1.00 0.00 C ATOM 1927 C THR A 126 8.185 8.875 6.259 1.00 0.00 C ATOM 1928 O THR A 126 8.376 9.804 5.476 1.00 0.00 O ATOM 1929 CB THR A 126 9.282 9.961 8.298 1.00 0.00 C ATOM 1930 OG1 THR A 126 10.116 9.556 9.380 1.00 0.00 O ATOM 1931 CG2 THR A 126 7.989 10.418 8.975 1.00 0.00 C ATOM 0 H THR A 126 11.027 8.952 6.713 1.00 0.00 H new ATOM 0 HA THR A 126 8.595 7.947 8.103 1.00 0.00 H new ATOM 0 HB THR A 126 9.654 10.757 7.653 1.00 0.00 H new ATOM 0 HG1 THR A 126 10.290 10.324 9.964 1.00 0.00 H new ATOM 0 HG21 THR A 126 8.179 11.327 9.546 1.00 0.00 H new ATOM 0 HG22 THR A 126 7.232 10.617 8.217 1.00 0.00 H new ATOM 0 HG23 THR A 126 7.634 9.636 9.646 1.00 0.00 H new ATOM 1939 N VAL A 127 7.216 7.980 6.139 1.00 0.00 N ATOM 1940 CA VAL A 127 6.277 8.037 5.032 1.00 0.00 C ATOM 1941 C VAL A 127 5.597 9.407 5.016 1.00 0.00 C ATOM 1942 O VAL A 127 5.068 9.854 6.032 1.00 0.00 O ATOM 1943 CB VAL A 127 5.283 6.878 5.128 1.00 0.00 C ATOM 1944 CG1 VAL A 127 4.121 7.069 4.150 1.00 0.00 C ATOM 1945 CG2 VAL A 127 5.981 5.536 4.895 1.00 0.00 C ATOM 0 H VAL A 127 7.061 7.211 6.791 1.00 0.00 H new ATOM 0 HA VAL A 127 6.799 7.922 4.082 1.00 0.00 H new ATOM 0 HB VAL A 127 4.873 6.871 6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 127 3.429 6.231 4.239 1.00 0.00 H new ATOM 0 HG12 VAL A 127 3.599 7.997 4.382 1.00 0.00 H new ATOM 0 HG13 VAL A 127 4.506 7.115 3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 127 5.252 4.729 4.969 1.00 0.00 H new ATOM 0 HG22 VAL A 127 6.432 5.528 3.903 1.00 0.00 H new ATOM 0 HG23 VAL A 127 6.757 5.394 5.647 1.00 0.00 H new ATOM 1955 N LYS A 128 5.632 10.036 3.850 1.00 0.00 N ATOM 1956 CA LYS A 128 5.026 11.347 3.688 1.00 0.00 C ATOM 1957 C LYS A 128 3.572 11.180 3.242 1.00 0.00 C ATOM 1958 O LYS A 128 3.298 11.026 2.053 1.00 0.00 O ATOM 1959 CB LYS A 128 5.864 12.212 2.744 1.00 0.00 C ATOM 1960 CG LYS A 128 5.169 13.545 2.459 1.00 0.00 C ATOM 1961 CD LYS A 128 6.037 14.437 1.569 1.00 0.00 C ATOM 1962 CE LYS A 128 5.206 15.067 0.449 1.00 0.00 C ATOM 1963 NZ LYS A 128 4.937 16.492 0.744 1.00 0.00 N ATOM 0 H LYS A 128 6.071 9.662 3.008 1.00 0.00 H new ATOM 0 HA LYS A 128 5.009 11.879 4.639 1.00 0.00 H new ATOM 0 HB2 LYS A 128 6.843 12.396 3.186 1.00 0.00 H new ATOM 0 HB3 LYS A 128 6.032 11.678 1.809 1.00 0.00 H new ATOM 0 HG2 LYS A 128 4.211 13.363 1.973 1.00 0.00 H new ATOM 0 HG3 LYS A 128 4.958 14.057 3.398 1.00 0.00 H new ATOM 0 HD2 LYS A 128 6.496 15.221 2.171 1.00 0.00 H new ATOM 0 HD3 LYS A 128 6.848 13.849 1.139 1.00 0.00 H new ATOM 0 HE2 LYS A 128 5.736 14.979 -0.499 1.00 0.00 H new ATOM 0 HE3 LYS A 128 4.265 14.528 0.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 4.372 16.905 -0.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 4.412 16.568 1.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 5.838 17.005 0.826 1.00 0.00 H new ATOM 1977 N GLU A 129 2.679 11.216 4.220 1.00 0.00 N ATOM 1978 CA GLU A 129 1.260 11.071 3.943 1.00 0.00 C ATOM 1979 C GLU A 129 0.691 12.379 3.389 1.00 0.00 C ATOM 1980 O GLU A 129 -0.289 12.905 3.915 1.00 0.00 O ATOM 1981 CB GLU A 129 0.500 10.628 5.194 1.00 0.00 C ATOM 1982 CG GLU A 129 0.285 9.113 5.198 1.00 0.00 C ATOM 1983 CD GLU A 129 -0.999 8.743 5.944 1.00 0.00 C ATOM 1984 OE1 GLU A 129 -1.338 9.484 6.891 1.00 0.00 O ATOM 1985 OE2 GLU A 129 -1.612 7.728 5.550 1.00 0.00 O ATOM 0 H GLU A 129 2.911 11.343 5.205 1.00 0.00 H new ATOM 0 HA GLU A 129 1.134 10.295 3.188 1.00 0.00 H new ATOM 0 HB2 GLU A 129 1.056 10.922 6.084 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -0.464 11.136 5.237 1.00 0.00 H new ATOM 0 HG2 GLU A 129 0.232 8.747 4.173 1.00 0.00 H new ATOM 0 HG3 GLU A 129 1.137 8.622 5.668 1.00 0.00 H new ATOM 1992 N ASP A 130 1.329 12.866 2.336 1.00 0.00 N ATOM 1993 CA ASP A 130 0.899 14.103 1.705 1.00 0.00 C ATOM 1994 C ASP A 130 1.004 13.959 0.186 1.00 0.00 C ATOM 1995 O ASP A 130 0.093 14.348 -0.543 1.00 0.00 O ATOM 1996 CB ASP A 130 1.783 15.276 2.132 1.00 0.00 C ATOM 1997 CG ASP A 130 1.088 16.330 2.996 1.00 0.00 C ATOM 1998 OD1 ASP A 130 0.397 17.185 2.401 1.00 0.00 O ATOM 1999 OD2 ASP A 130 1.262 16.256 4.231 1.00 0.00 O ATOM 0 H ASP A 130 2.141 12.427 1.903 1.00 0.00 H new ATOM 0 HA ASP A 130 -0.129 14.297 2.010 1.00 0.00 H new ATOM 0 HB2 ASP A 130 2.639 14.885 2.682 1.00 0.00 H new ATOM 0 HB3 ASP A 130 2.173 15.761 1.237 1.00 0.00 H new ATOM 2004 N ASN A 131 2.124 13.399 -0.247 1.00 0.00 N ATOM 2005 CA ASN A 131 2.361 13.200 -1.667 1.00 0.00 C ATOM 2006 C ASN A 131 1.754 11.863 -2.097 1.00 0.00 C ATOM 2007 O ASN A 131 2.399 11.080 -2.793 1.00 0.00 O ATOM 2008 CB ASN A 131 3.859 13.161 -1.976 1.00 0.00 C ATOM 2009 CG ASN A 131 4.106 13.072 -3.483 1.00 0.00 C ATOM 2010 OD1 ASN A 131 4.914 12.078 -3.841 1.00 0.00 O flip ATOM 2011 ND2 ASN A 131 3.597 13.854 -4.269 1.00 0.00 N flip ATOM 0 H ASN A 131 2.877 13.077 0.360 1.00 0.00 H new ATOM 0 HA ASN A 131 1.904 14.031 -2.205 1.00 0.00 H new ATOM 0 HB2 ASN A 131 4.340 14.054 -1.577 1.00 0.00 H new ATOM 0 HB3 ASN A 131 4.314 12.305 -1.478 1.00 0.00 H new ATOM 0 HD21 ASN A 131 2.985 14.595 -3.927 1.00 0.00 H new ATOM 0 HD22 ASN A 131 3.783 13.766 -5.268 1.00 0.00 H new ATOM 2018 N ASN A 132 0.521 11.642 -1.666 1.00 0.00 N ATOM 2019 CA ASN A 132 -0.179 10.413 -1.998 1.00 0.00 C ATOM 2020 C ASN A 132 -0.396 10.348 -3.511 1.00 0.00 C ATOM 2021 O ASN A 132 -0.655 11.367 -4.149 1.00 0.00 O ATOM 2022 CB ASN A 132 -1.551 10.361 -1.322 1.00 0.00 C ATOM 2023 CG ASN A 132 -1.434 10.647 0.177 1.00 0.00 C ATOM 2024 OD1 ASN A 132 -0.732 11.545 0.612 1.00 0.00 O ATOM 2025 ND2 ASN A 132 -2.159 9.834 0.940 1.00 0.00 N ATOM 0 H ASN A 132 -0.011 12.294 -1.090 1.00 0.00 H new ATOM 0 HA ASN A 132 0.427 9.576 -1.651 1.00 0.00 H new ATOM 0 HB2 ASN A 132 -2.216 11.090 -1.784 1.00 0.00 H new ATOM 0 HB3 ASN A 132 -1.999 9.379 -1.475 1.00 0.00 H new ATOM 0 HD21 ASN A 132 -2.149 9.942 1.954 1.00 0.00 H new ATOM 0 HD22 ASN A 132 -2.725 9.102 0.511 1.00 0.00 H new ATOM 2032 N LEU A 133 -0.281 9.139 -4.041 1.00 0.00 N ATOM 2033 CA LEU A 133 -0.461 8.927 -5.467 1.00 0.00 C ATOM 2034 C LEU A 133 -1.778 8.185 -5.706 1.00 0.00 C ATOM 2035 O LEU A 133 -2.096 7.827 -6.839 1.00 0.00 O ATOM 2036 CB LEU A 133 0.759 8.221 -6.062 1.00 0.00 C ATOM 2037 CG LEU A 133 2.090 8.465 -5.347 1.00 0.00 C ATOM 2038 CD1 LEU A 133 3.214 7.648 -5.987 1.00 0.00 C ATOM 2039 CD2 LEU A 133 2.421 9.958 -5.299 1.00 0.00 C ATOM 0 H LEU A 133 -0.065 8.296 -3.508 1.00 0.00 H new ATOM 0 HA LEU A 133 -0.533 9.882 -5.988 1.00 0.00 H new ATOM 0 HB2 LEU A 133 0.565 7.148 -6.070 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.864 8.534 -7.101 1.00 0.00 H new ATOM 0 HG LEU A 133 1.992 8.124 -4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 133 4.149 7.840 -5.460 1.00 0.00 H new ATOM 0 HD12 LEU A 133 2.973 6.587 -5.925 1.00 0.00 H new ATOM 0 HD13 LEU A 133 3.322 7.935 -7.033 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.372 10.104 -4.786 1.00 0.00 H new ATOM 0 HD22 LEU A 133 2.494 10.347 -6.314 1.00 0.00 H new ATOM 0 HD23 LEU A 133 1.634 10.488 -4.762 1.00 0.00 H new ATOM 2051 N SER A 134 -2.508 7.976 -4.621 1.00 0.00 N ATOM 2052 CA SER A 134 -3.782 7.284 -4.698 1.00 0.00 C ATOM 2053 C SER A 134 -4.930 8.295 -4.663 1.00 0.00 C ATOM 2054 O SER A 134 -6.099 7.912 -4.671 1.00 0.00 O ATOM 2055 CB SER A 134 -3.930 6.273 -3.559 1.00 0.00 C ATOM 2056 OG SER A 134 -5.080 6.535 -2.758 1.00 0.00 O ATOM 0 H SER A 134 -2.241 8.274 -3.683 1.00 0.00 H new ATOM 0 HA SER A 134 -3.817 6.737 -5.640 1.00 0.00 H new ATOM 0 HB2 SER A 134 -3.999 5.267 -3.974 1.00 0.00 H new ATOM 0 HB3 SER A 134 -3.038 6.299 -2.933 1.00 0.00 H new ATOM 0 HG SER A 134 -5.847 6.724 -3.338 1.00 0.00 H new