USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 877 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 89 ASN :FLIP amide:sc= -4.72! C(o=-5.6!,f=-4.8!) USER MOD Set 1.2: A 94 ASN :FLIP amide:sc= -0.057 F(o=-5.6,f=-4.8) USER MOD Set 2.1: A 82 CYS SG : rot 155:sc= 0.273 USER MOD Set 2.2: A 102 THR OG1 : rot -38:sc= 0.651 USER MOD Set 3.1: A 59 ASN : amide:sc= 1.02 K(o=3.5,f=-8.9!) USER MOD Set 3.2: A 75 LYS NZ :NH3+ 152:sc= 2.47 (180deg=0.706) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 17 ASN : amide:sc= -1.07 K(o=-1.1,f=-2.7!) USER MOD Single : A 25 LYS NZ :NH3+ 169:sc=-0.00297 (180deg=-0.12) USER MOD Single : A 28 LYS NZ :NH3+ -172:sc= -0.03 (180deg=-0.146) USER MOD Single : A 29 THR OG1 : rot 68:sc= 1.17 USER MOD Single : A 32 SER OG : rot 75:sc= 0.504 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 65:sc= 2.23 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0.914 K(o=0.91,f=0) USER MOD Single : A 54 THR OG1 : rot -68:sc= 1.24 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0304 USER MOD Single : A 60 THR OG1 : rot 84:sc= 1.2 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc=-0.00313 X(o=-0.0031,f=-0.43) USER MOD Single : A 85 THR OG1 : rot -92:sc= 1.23 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 1.09 K(o=1.1,f=-0.24) USER MOD Single : A 91 GLN : amide:sc= 0.213 X(o=0.21,f=-0.13) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= -3.43! C(o=-3.4!,f=-3.2!) USER MOD Single : A 114 MET CE :methyl -160:sc= -0.127 (180deg=-0.593) USER MOD Single : A 115 GLN :FLIP amide:sc= -0.508 F(o=-1.6!,f=-0.51) USER MOD Single : A 116 TYR OH : rot -76:sc= 0.938 USER MOD Single : A 123 GLN : amide:sc= -0.784 X(o=-0.78,f=-1.3) USER MOD Single : A 125 GLN : amide:sc= -0.0785 X(o=-0.079,f=-0.27) USER MOD Single : A 129 THR OG1 : rot 130:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 166:sc= -0.0306 (180deg=-0.216) USER MOD Single : A 134 LYS NZ :NH3+ 134:sc= 0.232 (180deg=-0.106) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.652 8.373 3.702 1.00 0.00 N ATOM 2 CA PRO A 1 4.471 7.779 2.659 1.00 0.00 C ATOM 3 C PRO A 1 5.872 8.352 2.731 1.00 0.00 C ATOM 4 O PRO A 1 6.174 9.137 3.616 1.00 0.00 O ATOM 5 CB PRO A 1 3.837 8.090 1.313 1.00 0.00 C ATOM 6 CG PRO A 1 2.460 8.518 1.674 1.00 0.00 C ATOM 7 CD PRO A 1 2.547 9.100 3.075 1.00 0.00 C ATOM 0 H2 PRO A 1 4.212 9.005 4.274 1.00 0.00 H new ATOM 0 H3 PRO A 1 3.291 7.649 4.324 1.00 0.00 H new ATOM 0 HA PRO A 1 4.532 6.699 2.790 1.00 0.00 H new ATOM 0 HB2 PRO A 1 4.377 8.876 0.786 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.829 7.217 0.661 1.00 0.00 H new ATOM 0 HG2 PRO A 1 2.086 9.259 0.968 1.00 0.00 H new ATOM 0 HG3 PRO A 1 1.771 7.674 1.646 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.741 10.172 3.049 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.616 8.958 3.623 1.00 0.00 H new ATOM 17 N VAL A 2 6.709 7.969 1.807 1.00 0.00 N ATOM 18 CA VAL A 2 8.069 8.430 1.755 1.00 0.00 C ATOM 19 C VAL A 2 8.259 9.346 0.543 1.00 0.00 C ATOM 20 O VAL A 2 7.794 9.033 -0.563 1.00 0.00 O ATOM 21 CB VAL A 2 9.071 7.232 1.676 1.00 0.00 C ATOM 22 CG1 VAL A 2 10.512 7.712 1.585 1.00 0.00 C ATOM 23 CG2 VAL A 2 8.908 6.309 2.873 1.00 0.00 C ATOM 0 H VAL A 2 6.463 7.320 1.060 1.00 0.00 H new ATOM 0 HA VAL A 2 8.275 8.985 2.670 1.00 0.00 H new ATOM 0 HB VAL A 2 8.838 6.678 0.767 1.00 0.00 H new ATOM 0 HG11 VAL A 2 11.179 6.852 1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 2 10.636 8.323 0.691 1.00 0.00 H new ATOM 0 HG13 VAL A 2 10.754 8.305 2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.616 5.484 2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 2 9.099 6.866 3.790 1.00 0.00 H new ATOM 0 HG23 VAL A 2 7.892 5.915 2.893 1.00 0.00 H new ATOM 33 N THR A 3 8.916 10.449 0.756 1.00 0.00 N ATOM 34 CA THR A 3 9.223 11.370 -0.295 1.00 0.00 C ATOM 35 C THR A 3 10.726 11.266 -0.528 1.00 0.00 C ATOM 36 O THR A 3 11.463 10.824 0.370 1.00 0.00 O ATOM 37 CB THR A 3 8.803 12.831 0.077 1.00 0.00 C ATOM 38 OG1 THR A 3 9.046 13.732 -1.019 1.00 0.00 O ATOM 39 CG2 THR A 3 9.551 13.327 1.307 1.00 0.00 C ATOM 0 H THR A 3 9.256 10.736 1.674 1.00 0.00 H new ATOM 0 HA THR A 3 8.667 11.125 -1.200 1.00 0.00 H new ATOM 0 HB THR A 3 7.736 12.810 0.297 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.774 14.638 -0.764 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.236 14.345 1.538 1.00 0.00 H new ATOM 0 HG22 THR A 3 9.330 12.677 2.154 1.00 0.00 H new ATOM 0 HG23 THR A 3 10.623 13.315 1.110 1.00 0.00 H new ATOM 228 N HIS A 16 10.679 11.028 5.508 1.00 0.00 N ATOM 229 CA HIS A 16 9.395 10.459 5.918 1.00 0.00 C ATOM 230 C HIS A 16 8.295 11.483 5.901 1.00 0.00 C ATOM 231 O HIS A 16 8.474 12.617 6.362 1.00 0.00 O ATOM 232 CB HIS A 16 9.447 9.905 7.351 1.00 0.00 C ATOM 233 CG HIS A 16 10.291 8.690 7.579 1.00 0.00 C ATOM 234 ND1 HIS A 16 9.867 7.628 8.328 1.00 0.00 N ATOM 235 CD2 HIS A 16 11.561 8.406 7.226 1.00 0.00 C ATOM 236 CE1 HIS A 16 10.827 6.752 8.431 1.00 0.00 C ATOM 237 NE2 HIS A 16 11.872 7.194 7.771 1.00 0.00 N ATOM 0 HA HIS A 16 9.194 9.664 5.200 1.00 0.00 H new ATOM 0 HB2 HIS A 16 9.808 10.697 8.007 1.00 0.00 H new ATOM 0 HB3 HIS A 16 8.428 9.673 7.662 1.00 0.00 H new ATOM 0 HD2 HIS A 16 12.211 9.023 6.624 1.00 0.00 H new ATOM 0 HE1 HIS A 16 10.772 5.818 8.970 1.00 0.00 H new ATOM 0 HE2 HIS A 16 12.767 6.712 7.681 1.00 0.00 H new ATOM 246 N ASN A 17 7.210 11.133 5.302 1.00 0.00 N ATOM 247 CA ASN A 17 5.992 11.895 5.425 1.00 0.00 C ATOM 248 C ASN A 17 5.020 11.083 6.234 1.00 0.00 C ATOM 249 O ASN A 17 5.090 9.838 6.220 1.00 0.00 O ATOM 250 CB ASN A 17 5.350 12.173 4.053 1.00 0.00 C ATOM 251 CG ASN A 17 6.171 13.026 3.098 1.00 0.00 C ATOM 252 OD1 ASN A 17 6.038 12.892 1.884 1.00 0.00 O ATOM 253 ND2 ASN A 17 7.026 13.882 3.617 1.00 0.00 N ATOM 0 H ASN A 17 7.131 10.308 4.708 1.00 0.00 H new ATOM 0 HA ASN A 17 6.227 12.850 5.896 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.142 11.218 3.570 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.390 12.664 4.215 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.604 14.460 3.006 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.111 13.968 4.630 1.00 0.00 H new ATOM 260 N GLY A 18 4.132 11.745 6.929 1.00 0.00 N ATOM 261 CA GLY A 18 3.105 11.047 7.651 1.00 0.00 C ATOM 262 C GLY A 18 2.070 10.535 6.685 1.00 0.00 C ATOM 263 O GLY A 18 2.211 9.442 6.133 1.00 0.00 O ATOM 0 H GLY A 18 4.100 12.761 7.009 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.538 10.217 8.209 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.641 11.713 8.378 1.00 0.00 H new ATOM 267 N PHE A 19 1.069 11.346 6.436 1.00 0.00 N ATOM 268 CA PHE A 19 -0.014 11.039 5.514 1.00 0.00 C ATOM 269 C PHE A 19 -0.592 12.343 5.064 1.00 0.00 C ATOM 270 O PHE A 19 -0.758 13.250 5.896 1.00 0.00 O ATOM 271 CB PHE A 19 -1.163 10.234 6.184 1.00 0.00 C ATOM 272 CG PHE A 19 -0.798 8.883 6.718 1.00 0.00 C ATOM 273 CD1 PHE A 19 -0.822 7.776 5.903 1.00 0.00 C ATOM 274 CD2 PHE A 19 -0.426 8.729 8.043 1.00 0.00 C ATOM 275 CE1 PHE A 19 -0.485 6.542 6.391 1.00 0.00 C ATOM 276 CE2 PHE A 19 -0.089 7.499 8.538 1.00 0.00 C ATOM 277 CZ PHE A 19 -0.115 6.401 7.711 1.00 0.00 C ATOM 0 H PHE A 19 0.977 12.261 6.877 1.00 0.00 H new ATOM 0 HA PHE A 19 0.392 10.437 4.701 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.566 10.829 7.003 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.965 10.110 5.456 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.110 7.881 4.867 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.402 9.591 8.694 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.509 5.679 5.742 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.196 7.391 9.574 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.154 5.428 8.096 1.00 0.00 H new ATOM 287 N ASP A 20 -0.859 12.499 3.792 1.00 0.00 N ATOM 288 CA ASP A 20 -1.550 13.676 3.330 1.00 0.00 C ATOM 289 C ASP A 20 -3.011 13.408 3.574 1.00 0.00 C ATOM 290 O ASP A 20 -3.602 12.533 2.908 1.00 0.00 O ATOM 291 CB ASP A 20 -1.329 13.887 1.831 1.00 0.00 C ATOM 292 CG ASP A 20 -1.710 15.272 1.391 1.00 0.00 C ATOM 293 OD1 ASP A 20 -2.919 15.579 1.266 1.00 0.00 O ATOM 294 OD2 ASP A 20 -0.796 16.106 1.204 1.00 0.00 O ATOM 0 H ASP A 20 -0.611 11.831 3.062 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.190 14.566 3.846 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.281 13.707 1.591 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.914 13.156 1.273 1.00 0.00 H new ATOM 299 N PHE A 21 -3.583 14.088 4.545 1.00 0.00 N ATOM 300 CA PHE A 21 -4.929 13.791 4.943 1.00 0.00 C ATOM 301 C PHE A 21 -5.917 14.062 3.830 1.00 0.00 C ATOM 302 O PHE A 21 -6.768 13.261 3.602 1.00 0.00 O ATOM 303 CB PHE A 21 -5.332 14.472 6.249 1.00 0.00 C ATOM 304 CG PHE A 21 -6.598 13.894 6.801 1.00 0.00 C ATOM 305 CD1 PHE A 21 -6.591 12.618 7.344 1.00 0.00 C ATOM 306 CD2 PHE A 21 -7.788 14.593 6.752 1.00 0.00 C ATOM 307 CE1 PHE A 21 -7.739 12.046 7.831 1.00 0.00 C ATOM 308 CE2 PHE A 21 -8.947 14.025 7.236 1.00 0.00 C ATOM 309 CZ PHE A 21 -8.920 12.749 7.778 1.00 0.00 C ATOM 0 H PHE A 21 -3.136 14.843 5.065 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.956 12.720 5.146 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.531 14.362 6.980 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.463 15.541 6.078 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.665 12.064 7.384 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -7.811 15.588 6.333 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.716 11.052 8.253 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -9.876 14.574 7.193 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.828 12.306 8.159 1.00 0.00 H new ATOM 319 N ALA A 22 -5.760 15.178 3.125 1.00 0.00 N ATOM 320 CA ALA A 22 -6.613 15.527 1.974 1.00 0.00 C ATOM 321 C ALA A 22 -6.693 14.376 0.947 1.00 0.00 C ATOM 322 O ALA A 22 -7.772 14.078 0.418 1.00 0.00 O ATOM 323 CB ALA A 22 -6.120 16.798 1.307 1.00 0.00 C ATOM 0 H ALA A 22 -5.040 15.872 3.329 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.619 15.698 2.357 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.763 17.038 0.460 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.144 17.618 2.024 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.098 16.652 0.957 1.00 0.00 H new ATOM 329 N VAL A 23 -5.567 13.718 0.701 1.00 0.00 N ATOM 330 CA VAL A 23 -5.514 12.560 -0.198 1.00 0.00 C ATOM 331 C VAL A 23 -6.384 11.405 0.345 1.00 0.00 C ATOM 332 O VAL A 23 -7.326 10.948 -0.333 1.00 0.00 O ATOM 333 CB VAL A 23 -4.036 12.091 -0.430 1.00 0.00 C ATOM 334 CG1 VAL A 23 -3.958 10.768 -1.188 1.00 0.00 C ATOM 335 CG2 VAL A 23 -3.267 13.165 -1.184 1.00 0.00 C ATOM 0 H VAL A 23 -4.668 13.966 1.113 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.920 12.864 -1.163 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.588 11.930 0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.914 10.487 -1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.472 9.992 -0.620 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.433 10.879 -2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.241 12.834 -1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.743 13.345 -2.148 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.265 14.087 -0.603 1.00 0.00 H new ATOM 345 N ILE A 24 -6.077 10.963 1.571 1.00 0.00 N ATOM 346 CA ILE A 24 -6.817 9.890 2.267 1.00 0.00 C ATOM 347 C ILE A 24 -8.316 10.253 2.376 1.00 0.00 C ATOM 348 O ILE A 24 -9.183 9.416 2.227 1.00 0.00 O ATOM 349 CB ILE A 24 -6.261 9.710 3.725 1.00 0.00 C ATOM 350 CG1 ILE A 24 -4.735 9.461 3.723 1.00 0.00 C ATOM 351 CG2 ILE A 24 -6.995 8.589 4.482 1.00 0.00 C ATOM 352 CD1 ILE A 24 -4.283 8.223 2.970 1.00 0.00 C ATOM 0 H ILE A 24 -5.302 11.340 2.117 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.692 8.971 1.694 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.449 10.645 4.253 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.242 10.331 3.289 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.394 9.383 4.755 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.581 8.496 5.486 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.056 8.829 4.548 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.868 7.647 3.949 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.198 8.138 3.028 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.741 7.339 3.415 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.585 8.302 1.926 1.00 0.00 H new ATOM 364 N LYS A 25 -8.564 11.513 2.593 1.00 0.00 N ATOM 365 CA LYS A 25 -9.893 12.069 2.808 1.00 0.00 C ATOM 366 C LYS A 25 -10.684 12.059 1.515 1.00 0.00 C ATOM 367 O LYS A 25 -11.897 11.854 1.522 1.00 0.00 O ATOM 368 CB LYS A 25 -9.735 13.495 3.355 1.00 0.00 C ATOM 369 CG LYS A 25 -10.993 14.215 3.796 1.00 0.00 C ATOM 370 CD LYS A 25 -10.647 15.613 4.334 1.00 0.00 C ATOM 371 CE LYS A 25 -10.294 16.614 3.237 1.00 0.00 C ATOM 372 NZ LYS A 25 -11.441 16.925 2.366 1.00 0.00 N ATOM 0 H LYS A 25 -7.827 12.217 2.629 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.445 11.465 3.528 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.053 13.456 4.205 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.253 14.099 2.587 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.684 14.301 2.957 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.500 13.636 4.568 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.494 15.994 4.905 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.808 15.531 5.025 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.928 17.534 3.693 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.481 16.213 2.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.207 17.738 1.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.657 16.101 1.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.269 17.156 2.951 1.00 0.00 H new ATOM 386 N GLU A 26 -9.995 12.241 0.404 1.00 0.00 N ATOM 387 CA GLU A 26 -10.643 12.208 -0.896 1.00 0.00 C ATOM 388 C GLU A 26 -11.008 10.776 -1.226 1.00 0.00 C ATOM 389 O GLU A 26 -12.121 10.482 -1.717 1.00 0.00 O ATOM 390 CB GLU A 26 -9.738 12.793 -1.970 1.00 0.00 C ATOM 391 CG GLU A 26 -10.365 12.824 -3.349 1.00 0.00 C ATOM 392 CD GLU A 26 -9.529 13.566 -4.343 1.00 0.00 C ATOM 393 OE1 GLU A 26 -8.471 13.072 -4.737 1.00 0.00 O ATOM 394 OE2 GLU A 26 -9.944 14.660 -4.776 1.00 0.00 O ATOM 0 H GLU A 26 -8.990 12.413 0.374 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.547 12.817 -0.863 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.460 13.808 -1.685 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.818 12.211 -2.013 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.518 11.803 -3.698 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.348 13.290 -3.287 1.00 0.00 H new ATOM 401 N LEU A 27 -10.083 9.883 -0.937 1.00 0.00 N ATOM 402 CA LEU A 27 -10.334 8.477 -1.144 1.00 0.00 C ATOM 403 C LEU A 27 -11.461 8.036 -0.194 1.00 0.00 C ATOM 404 O LEU A 27 -12.244 7.182 -0.526 1.00 0.00 O ATOM 405 CB LEU A 27 -9.049 7.627 -0.934 1.00 0.00 C ATOM 406 CG LEU A 27 -9.123 6.156 -1.368 1.00 0.00 C ATOM 407 CD1 LEU A 27 -9.533 6.063 -2.799 1.00 0.00 C ATOM 408 CD2 LEU A 27 -7.776 5.484 -1.169 1.00 0.00 C ATOM 0 H LEU A 27 -9.161 10.105 -0.562 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.643 8.315 -2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.233 8.103 -1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.788 7.658 0.124 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.866 5.646 -0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.582 5.015 -3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.513 6.523 -2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.804 6.583 -3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.840 4.441 -1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.022 5.996 -1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.497 5.532 -0.116 1.00 0.00 H new ATOM 420 N LYS A 28 -11.533 8.676 0.978 1.00 0.00 N ATOM 421 CA LYS A 28 -12.563 8.413 1.975 1.00 0.00 C ATOM 422 C LYS A 28 -13.908 8.929 1.476 1.00 0.00 C ATOM 423 O LYS A 28 -14.951 8.327 1.725 1.00 0.00 O ATOM 424 CB LYS A 28 -12.216 9.074 3.322 1.00 0.00 C ATOM 425 CG LYS A 28 -13.170 8.699 4.440 1.00 0.00 C ATOM 426 CD LYS A 28 -12.832 9.388 5.740 1.00 0.00 C ATOM 427 CE LYS A 28 -13.721 8.885 6.868 1.00 0.00 C ATOM 428 NZ LYS A 28 -15.165 9.099 6.607 1.00 0.00 N ATOM 0 H LYS A 28 -10.869 9.397 1.259 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.620 7.336 2.130 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.203 8.790 3.608 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.220 10.157 3.199 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.188 8.959 4.148 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.146 7.619 4.587 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.786 9.210 5.989 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.954 10.465 5.628 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.539 7.821 7.020 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.446 9.391 7.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.711 8.863 7.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -15.328 10.095 6.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -15.470 8.489 5.822 1.00 0.00 H new ATOM 442 N THR A 29 -13.875 10.030 0.754 1.00 0.00 N ATOM 443 CA THR A 29 -15.064 10.586 0.170 1.00 0.00 C ATOM 444 C THR A 29 -15.612 9.605 -0.855 1.00 0.00 C ATOM 445 O THR A 29 -16.794 9.268 -0.829 1.00 0.00 O ATOM 446 CB THR A 29 -14.781 11.964 -0.462 1.00 0.00 C ATOM 447 OG1 THR A 29 -14.250 12.836 0.550 1.00 0.00 O ATOM 448 CG2 THR A 29 -16.052 12.589 -1.039 1.00 0.00 C ATOM 0 H THR A 29 -13.024 10.558 0.560 1.00 0.00 H new ATOM 0 HA THR A 29 -15.811 10.745 0.947 1.00 0.00 H new ATOM 0 HB THR A 29 -14.068 11.830 -1.276 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.363 12.520 0.821 1.00 0.00 H new ATOM 0 HG21 THR A 29 -15.815 13.559 -1.476 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.462 11.935 -1.809 1.00 0.00 H new ATOM 0 HG23 THR A 29 -16.787 12.719 -0.244 1.00 0.00 H new ATOM 456 N ALA A 30 -14.743 9.090 -1.724 1.00 0.00 N ATOM 457 CA ALA A 30 -15.130 8.095 -2.669 1.00 0.00 C ATOM 458 C ALA A 30 -15.596 6.833 -1.954 1.00 0.00 C ATOM 459 O ALA A 30 -16.516 6.199 -2.368 1.00 0.00 O ATOM 460 CB ALA A 30 -13.994 7.788 -3.616 1.00 0.00 C ATOM 0 H ALA A 30 -13.761 9.362 -1.777 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.963 8.482 -3.255 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -14.310 7.026 -4.329 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.713 8.694 -4.153 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -13.137 7.422 -3.050 1.00 0.00 H new ATOM 466 N ALA A 31 -14.911 6.501 -0.895 1.00 0.00 N ATOM 467 CA ALA A 31 -15.265 5.353 -0.074 1.00 0.00 C ATOM 468 C ALA A 31 -16.717 5.436 0.437 1.00 0.00 C ATOM 469 O ALA A 31 -17.452 4.446 0.432 1.00 0.00 O ATOM 470 CB ALA A 31 -14.322 5.283 1.097 1.00 0.00 C ATOM 0 H ALA A 31 -14.091 7.012 -0.568 1.00 0.00 H new ATOM 0 HA ALA A 31 -15.184 4.456 -0.688 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.578 4.426 1.720 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.300 5.176 0.735 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.405 6.197 1.686 1.00 0.00 H new ATOM 476 N SER A 32 -17.127 6.611 0.873 1.00 0.00 N ATOM 477 CA SER A 32 -18.458 6.798 1.410 1.00 0.00 C ATOM 478 C SER A 32 -19.521 7.034 0.301 1.00 0.00 C ATOM 479 O SER A 32 -20.667 6.638 0.445 1.00 0.00 O ATOM 480 CB SER A 32 -18.434 7.965 2.395 1.00 0.00 C ATOM 481 OG SER A 32 -17.384 7.784 3.347 1.00 0.00 O ATOM 0 H SER A 32 -16.553 7.454 0.865 1.00 0.00 H new ATOM 0 HA SER A 32 -18.751 5.881 1.922 1.00 0.00 H new ATOM 0 HB2 SER A 32 -18.290 8.902 1.857 1.00 0.00 H new ATOM 0 HB3 SER A 32 -19.393 8.037 2.909 1.00 0.00 H new ATOM 0 HG SER A 32 -16.521 7.970 2.922 1.00 0.00 H new ATOM 487 N GLN A 33 -19.125 7.681 -0.778 1.00 0.00 N ATOM 488 CA GLN A 33 -20.037 8.064 -1.876 1.00 0.00 C ATOM 489 C GLN A 33 -20.102 7.034 -3.011 1.00 0.00 C ATOM 490 O GLN A 33 -21.167 6.633 -3.458 1.00 0.00 O ATOM 491 CB GLN A 33 -19.542 9.363 -2.465 1.00 0.00 C ATOM 492 CG GLN A 33 -19.598 10.541 -1.557 1.00 0.00 C ATOM 493 CD GLN A 33 -20.979 11.044 -1.427 1.00 0.00 C ATOM 494 OE1 GLN A 33 -21.729 10.652 -0.528 1.00 0.00 O ATOM 495 NE2 GLN A 33 -21.344 11.869 -2.342 1.00 0.00 N ATOM 0 H GLN A 33 -18.158 7.965 -0.933 1.00 0.00 H new ATOM 0 HA GLN A 33 -21.036 8.142 -1.448 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -18.511 9.225 -2.789 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -20.129 9.585 -3.356 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -19.213 10.266 -0.575 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -18.954 11.332 -1.942 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -20.681 12.159 -3.061 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -22.296 12.234 -2.349 1.00 0.00 H new ATOM 504 N TYR A 34 -18.944 6.659 -3.459 1.00 0.00 N ATOM 505 CA TYR A 34 -18.729 5.837 -4.651 1.00 0.00 C ATOM 506 C TYR A 34 -18.662 4.346 -4.318 1.00 0.00 C ATOM 507 O TYR A 34 -19.292 3.518 -4.987 1.00 0.00 O ATOM 508 CB TYR A 34 -17.424 6.353 -5.360 1.00 0.00 C ATOM 509 CG TYR A 34 -17.606 7.701 -6.055 1.00 0.00 C ATOM 510 CD1 TYR A 34 -17.626 8.875 -5.323 1.00 0.00 C ATOM 511 CD2 TYR A 34 -17.778 7.793 -7.432 1.00 0.00 C ATOM 512 CE1 TYR A 34 -17.813 10.100 -5.918 1.00 0.00 C ATOM 513 CE2 TYR A 34 -17.964 9.024 -8.048 1.00 0.00 C ATOM 514 CZ TYR A 34 -17.982 10.174 -7.282 1.00 0.00 C ATOM 515 OH TYR A 34 -18.176 11.405 -7.882 1.00 0.00 O ATOM 0 H TYR A 34 -18.073 6.919 -2.997 1.00 0.00 H new ATOM 0 HA TYR A 34 -19.577 5.936 -5.329 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -16.627 6.438 -4.621 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -17.101 5.614 -6.094 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -17.491 8.828 -4.253 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -17.767 6.894 -8.031 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -17.827 10.999 -5.319 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -18.094 9.082 -9.119 1.00 0.00 H new ATOM 0 HH TYR A 34 -18.278 11.285 -8.849 1.00 0.00 H new ATOM 525 N GLY A 35 -17.973 4.010 -3.251 1.00 0.00 N ATOM 526 CA GLY A 35 -17.788 2.625 -2.903 1.00 0.00 C ATOM 527 C GLY A 35 -16.622 2.035 -3.665 1.00 0.00 C ATOM 528 O GLY A 35 -16.268 2.530 -4.742 1.00 0.00 O ATOM 0 H GLY A 35 -17.535 4.675 -2.614 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -17.612 2.534 -1.831 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -18.696 2.064 -3.126 1.00 0.00 H new ATOM 532 N ALA A 36 -16.049 0.970 -3.166 1.00 0.00 N ATOM 533 CA ALA A 36 -14.884 0.433 -3.800 1.00 0.00 C ATOM 534 C ALA A 36 -15.273 -0.584 -4.847 1.00 0.00 C ATOM 535 O ALA A 36 -15.524 -1.730 -4.536 1.00 0.00 O ATOM 536 CB ALA A 36 -13.910 -0.129 -2.806 1.00 0.00 C ATOM 0 H ALA A 36 -16.367 0.468 -2.337 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.369 1.252 -4.302 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -13.041 -0.525 -3.332 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.592 0.659 -2.123 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -14.388 -0.929 -2.240 1.00 0.00 H new ATOM 542 N THR A 37 -15.282 -0.108 -6.074 1.00 0.00 N ATOM 543 CA THR A 37 -15.687 -0.789 -7.314 1.00 0.00 C ATOM 544 C THR A 37 -15.790 0.276 -8.382 1.00 0.00 C ATOM 545 O THR A 37 -15.432 0.047 -9.540 1.00 0.00 O ATOM 546 CB THR A 37 -17.027 -1.623 -7.217 1.00 0.00 C ATOM 547 OG1 THR A 37 -16.774 -2.877 -6.580 1.00 0.00 O ATOM 548 CG2 THR A 37 -17.676 -1.884 -8.584 1.00 0.00 C ATOM 0 H THR A 37 -14.982 0.849 -6.260 1.00 0.00 H new ATOM 0 HA THR A 37 -14.934 -1.542 -7.546 1.00 0.00 H new ATOM 0 HB THR A 37 -17.723 -1.022 -6.632 1.00 0.00 H new ATOM 0 HG1 THR A 37 -16.494 -2.723 -5.654 1.00 0.00 H new ATOM 0 HG21 THR A 37 -18.591 -2.461 -8.448 1.00 0.00 H new ATOM 0 HG22 THR A 37 -17.914 -0.933 -9.061 1.00 0.00 H new ATOM 0 HG23 THR A 37 -16.985 -2.444 -9.214 1.00 0.00 H new ATOM 556 N ALA A 38 -16.217 1.476 -7.963 1.00 0.00 N ATOM 557 CA ALA A 38 -16.259 2.615 -8.842 1.00 0.00 C ATOM 558 C ALA A 38 -14.840 2.909 -9.298 1.00 0.00 C ATOM 559 O ALA A 38 -13.970 3.156 -8.449 1.00 0.00 O ATOM 560 CB ALA A 38 -16.830 3.813 -8.110 1.00 0.00 C ATOM 0 H ALA A 38 -16.536 1.666 -7.013 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.895 2.406 -9.702 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.858 4.671 -8.782 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.840 3.584 -7.771 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.203 4.047 -7.250 1.00 0.00 H new ATOM 566 N PRO A 39 -14.579 2.860 -10.634 1.00 0.00 N ATOM 567 CA PRO A 39 -13.232 3.038 -11.236 1.00 0.00 C ATOM 568 C PRO A 39 -12.441 4.186 -10.621 1.00 0.00 C ATOM 569 O PRO A 39 -11.226 4.089 -10.459 1.00 0.00 O ATOM 570 CB PRO A 39 -13.553 3.326 -12.697 1.00 0.00 C ATOM 571 CG PRO A 39 -14.789 2.548 -12.951 1.00 0.00 C ATOM 572 CD PRO A 39 -15.595 2.611 -11.682 1.00 0.00 C ATOM 0 HA PRO A 39 -12.598 2.166 -11.077 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.709 4.391 -12.869 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -12.742 3.012 -13.354 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -15.348 2.967 -13.788 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -14.553 1.516 -13.211 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -16.337 3.409 -11.718 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.135 1.681 -11.504 1.00 0.00 H new ATOM 580 N TYR A 40 -13.154 5.238 -10.248 1.00 0.00 N ATOM 581 CA TYR A 40 -12.585 6.405 -9.605 1.00 0.00 C ATOM 582 C TYR A 40 -11.770 6.031 -8.353 1.00 0.00 C ATOM 583 O TYR A 40 -10.553 6.176 -8.345 1.00 0.00 O ATOM 584 CB TYR A 40 -13.713 7.394 -9.258 1.00 0.00 C ATOM 585 CG TYR A 40 -13.292 8.638 -8.506 1.00 0.00 C ATOM 586 CD1 TYR A 40 -12.433 9.576 -9.077 1.00 0.00 C ATOM 587 CD2 TYR A 40 -13.784 8.888 -7.232 1.00 0.00 C ATOM 588 CE1 TYR A 40 -12.073 10.727 -8.393 1.00 0.00 C ATOM 589 CE2 TYR A 40 -13.425 10.030 -6.544 1.00 0.00 C ATOM 590 CZ TYR A 40 -12.571 10.945 -7.126 1.00 0.00 C ATOM 591 OH TYR A 40 -12.225 12.088 -6.437 1.00 0.00 O ATOM 0 H TYR A 40 -14.162 5.302 -10.388 1.00 0.00 H new ATOM 0 HA TYR A 40 -11.890 6.879 -10.298 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.200 7.700 -10.184 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -14.461 6.869 -8.663 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -12.042 9.403 -10.069 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -14.457 8.179 -6.773 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -11.409 11.446 -8.849 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -13.812 10.207 -5.551 1.00 0.00 H new ATOM 0 HH TYR A 40 -12.663 12.087 -5.560 1.00 0.00 H new ATOM 601 N THR A 41 -12.434 5.509 -7.304 1.00 0.00 N ATOM 602 CA THR A 41 -11.797 5.220 -6.038 1.00 0.00 C ATOM 603 C THR A 41 -10.615 4.258 -6.155 1.00 0.00 C ATOM 604 O THR A 41 -9.578 4.503 -5.556 1.00 0.00 O ATOM 605 CB THR A 41 -12.821 4.741 -4.964 1.00 0.00 C ATOM 606 OG1 THR A 41 -12.213 4.645 -3.681 1.00 0.00 O ATOM 607 CG2 THR A 41 -13.422 3.409 -5.315 1.00 0.00 C ATOM 0 H THR A 41 -13.428 5.281 -7.327 1.00 0.00 H new ATOM 0 HA THR A 41 -11.380 6.168 -5.699 1.00 0.00 H new ATOM 0 HB THR A 41 -13.613 5.490 -4.940 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.877 4.344 -3.026 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.129 3.113 -4.540 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.941 3.484 -6.270 1.00 0.00 H new ATOM 0 HG23 THR A 41 -12.632 2.662 -5.389 1.00 0.00 H new ATOM 615 N LEU A 42 -10.721 3.205 -6.946 1.00 0.00 N ATOM 616 CA LEU A 42 -9.591 2.295 -7.024 1.00 0.00 C ATOM 617 C LEU A 42 -8.446 2.822 -7.860 1.00 0.00 C ATOM 618 O LEU A 42 -7.316 2.457 -7.633 1.00 0.00 O ATOM 619 CB LEU A 42 -9.893 0.773 -7.223 1.00 0.00 C ATOM 620 CG LEU A 42 -10.936 0.315 -8.255 1.00 0.00 C ATOM 621 CD1 LEU A 42 -12.326 0.586 -7.759 1.00 0.00 C ATOM 622 CD2 LEU A 42 -10.705 0.935 -9.622 1.00 0.00 C ATOM 0 H LEU A 42 -11.532 2.965 -7.516 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.239 2.292 -5.992 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.951 0.289 -7.480 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.201 0.377 -6.256 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.820 -0.762 -8.379 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -13.049 0.255 -8.504 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -12.492 0.046 -6.827 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.448 1.655 -7.585 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.467 0.581 -10.316 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.762 2.021 -9.544 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.719 0.649 -9.989 1.00 0.00 H new ATOM 634 N ALA A 43 -8.739 3.741 -8.770 1.00 0.00 N ATOM 635 CA ALA A 43 -7.686 4.424 -9.518 1.00 0.00 C ATOM 636 C ALA A 43 -6.896 5.287 -8.558 1.00 0.00 C ATOM 637 O ALA A 43 -5.719 5.535 -8.738 1.00 0.00 O ATOM 638 CB ALA A 43 -8.257 5.263 -10.654 1.00 0.00 C ATOM 0 H ALA A 43 -9.687 4.031 -9.009 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.033 3.680 -9.974 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.444 5.755 -11.187 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.804 4.619 -11.342 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.932 6.016 -10.247 1.00 0.00 H new ATOM 644 N ILE A 44 -7.561 5.715 -7.523 1.00 0.00 N ATOM 645 CA ILE A 44 -6.945 6.480 -6.474 1.00 0.00 C ATOM 646 C ILE A 44 -6.173 5.525 -5.533 1.00 0.00 C ATOM 647 O ILE A 44 -5.071 5.839 -5.114 1.00 0.00 O ATOM 648 CB ILE A 44 -7.993 7.269 -5.693 1.00 0.00 C ATOM 649 CG1 ILE A 44 -8.796 8.138 -6.652 1.00 0.00 C ATOM 650 CG2 ILE A 44 -7.309 8.148 -4.642 1.00 0.00 C ATOM 651 CD1 ILE A 44 -10.042 8.722 -6.039 1.00 0.00 C ATOM 0 H ILE A 44 -8.556 5.541 -7.381 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.249 7.194 -6.914 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.664 6.574 -5.189 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.163 8.950 -7.010 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.074 7.543 -7.522 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.063 8.708 -4.089 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.746 7.519 -3.952 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.630 8.844 -5.135 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.562 9.329 -6.780 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.696 7.916 -5.706 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.771 9.345 -5.186 1.00 0.00 H new ATOM 663 N VAL A 45 -6.747 4.326 -5.264 1.00 0.00 N ATOM 664 CA VAL A 45 -6.076 3.281 -4.440 1.00 0.00 C ATOM 665 C VAL A 45 -4.718 2.970 -5.088 1.00 0.00 C ATOM 666 O VAL A 45 -3.670 2.933 -4.420 1.00 0.00 O ATOM 667 CB VAL A 45 -6.953 1.940 -4.336 1.00 0.00 C ATOM 668 CG1 VAL A 45 -6.229 0.805 -3.606 1.00 0.00 C ATOM 669 CG2 VAL A 45 -8.279 2.180 -3.627 1.00 0.00 C ATOM 0 H VAL A 45 -7.670 4.056 -5.603 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.950 3.656 -3.424 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.128 1.643 -5.370 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.874 -0.073 -3.569 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.310 0.558 -4.138 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.987 1.121 -2.591 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.840 1.247 -3.579 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.091 2.543 -2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.857 2.923 -4.177 1.00 0.00 H new ATOM 679 N GLU A 46 -4.750 2.836 -6.408 1.00 0.00 N ATOM 680 CA GLU A 46 -3.563 2.580 -7.194 1.00 0.00 C ATOM 681 C GLU A 46 -2.635 3.790 -7.181 1.00 0.00 C ATOM 682 O GLU A 46 -1.436 3.639 -7.030 1.00 0.00 O ATOM 683 CB GLU A 46 -3.921 2.247 -8.633 1.00 0.00 C ATOM 684 CG GLU A 46 -4.920 1.131 -8.785 1.00 0.00 C ATOM 685 CD GLU A 46 -5.124 0.747 -10.218 1.00 0.00 C ATOM 686 OE1 GLU A 46 -4.321 -0.042 -10.766 1.00 0.00 O ATOM 687 OE2 GLU A 46 -6.074 1.249 -10.839 1.00 0.00 O ATOM 0 H GLU A 46 -5.605 2.903 -6.959 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.055 1.727 -6.745 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.319 3.142 -9.112 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.010 1.978 -9.168 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.580 0.262 -8.222 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.873 1.437 -8.353 1.00 0.00 H new ATOM 694 N SER A 47 -3.212 4.986 -7.311 1.00 0.00 N ATOM 695 CA SER A 47 -2.454 6.221 -7.361 1.00 0.00 C ATOM 696 C SER A 47 -1.728 6.509 -6.031 1.00 0.00 C ATOM 697 O SER A 47 -0.703 7.162 -6.026 1.00 0.00 O ATOM 698 CB SER A 47 -3.370 7.395 -7.757 1.00 0.00 C ATOM 699 OG SER A 47 -2.628 8.586 -8.014 1.00 0.00 O ATOM 0 H SER A 47 -4.221 5.117 -7.384 1.00 0.00 H new ATOM 0 HA SER A 47 -1.684 6.106 -8.123 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.942 7.125 -8.645 1.00 0.00 H new ATOM 0 HB3 SER A 47 -4.088 7.580 -6.958 1.00 0.00 H new ATOM 0 HG SER A 47 -3.243 9.307 -8.263 1.00 0.00 H new ATOM 705 N VAL A 48 -2.264 6.040 -4.918 1.00 0.00 N ATOM 706 CA VAL A 48 -1.588 6.214 -3.639 1.00 0.00 C ATOM 707 C VAL A 48 -0.434 5.226 -3.550 1.00 0.00 C ATOM 708 O VAL A 48 0.670 5.587 -3.139 1.00 0.00 O ATOM 709 CB VAL A 48 -2.531 6.041 -2.413 1.00 0.00 C ATOM 710 CG1 VAL A 48 -1.765 6.288 -1.121 1.00 0.00 C ATOM 711 CG2 VAL A 48 -3.727 6.984 -2.496 1.00 0.00 C ATOM 0 H VAL A 48 -3.153 5.542 -4.870 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.224 7.241 -3.602 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.904 5.017 -2.421 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.436 6.164 -0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.944 5.575 -1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.366 7.302 -1.123 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.366 6.838 -1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.376 8.016 -2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.295 6.773 -3.402 1.00 0.00 H new ATOM 721 N ALA A 49 -0.670 4.002 -4.028 1.00 0.00 N ATOM 722 CA ALA A 49 0.356 2.960 -4.037 1.00 0.00 C ATOM 723 C ALA A 49 1.395 3.230 -5.119 1.00 0.00 C ATOM 724 O ALA A 49 2.415 2.584 -5.180 1.00 0.00 O ATOM 725 CB ALA A 49 -0.277 1.588 -4.228 1.00 0.00 C ATOM 0 H ALA A 49 -1.567 3.709 -4.415 1.00 0.00 H new ATOM 0 HA ALA A 49 0.863 2.973 -3.072 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.502 0.825 -4.232 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.973 1.392 -3.412 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.814 1.564 -5.176 1.00 0.00 H new ATOM 731 N ASP A 50 1.116 4.220 -5.943 1.00 0.00 N ATOM 732 CA ASP A 50 1.987 4.638 -7.042 1.00 0.00 C ATOM 733 C ASP A 50 3.151 5.453 -6.478 1.00 0.00 C ATOM 734 O ASP A 50 4.121 5.777 -7.169 1.00 0.00 O ATOM 735 CB ASP A 50 1.149 5.463 -8.035 1.00 0.00 C ATOM 736 CG ASP A 50 1.875 5.899 -9.276 1.00 0.00 C ATOM 737 OD1 ASP A 50 2.063 5.074 -10.195 1.00 0.00 O ATOM 738 OD2 ASP A 50 2.208 7.086 -9.391 1.00 0.00 O ATOM 0 H ASP A 50 0.262 4.773 -5.872 1.00 0.00 H new ATOM 0 HA ASP A 50 2.403 3.776 -7.564 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.280 4.874 -8.329 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.775 6.349 -7.522 1.00 0.00 H new ATOM 743 N ASN A 51 3.039 5.762 -5.206 1.00 0.00 N ATOM 744 CA ASN A 51 4.077 6.459 -4.453 1.00 0.00 C ATOM 745 C ASN A 51 4.896 5.420 -3.734 1.00 0.00 C ATOM 746 O ASN A 51 4.635 4.240 -3.857 1.00 0.00 O ATOM 747 CB ASN A 51 3.480 7.370 -3.365 1.00 0.00 C ATOM 748 CG ASN A 51 2.623 8.491 -3.871 1.00 0.00 C ATOM 749 OD1 ASN A 51 3.113 9.569 -4.181 1.00 0.00 O ATOM 750 ND2 ASN A 51 1.335 8.273 -3.897 1.00 0.00 N ATOM 0 H ASN A 51 2.214 5.536 -4.650 1.00 0.00 H new ATOM 0 HA ASN A 51 4.657 7.061 -5.152 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.886 6.758 -2.687 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.296 7.794 -2.780 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.698 9.016 -4.183 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.967 7.360 -3.631 1.00 0.00 H new ATOM 757 N TRP A 52 5.860 5.846 -2.962 1.00 0.00 N ATOM 758 CA TRP A 52 6.623 4.914 -2.174 1.00 0.00 C ATOM 759 C TRP A 52 6.128 4.985 -0.743 1.00 0.00 C ATOM 760 O TRP A 52 6.136 6.063 -0.122 1.00 0.00 O ATOM 761 CB TRP A 52 8.134 5.196 -2.265 1.00 0.00 C ATOM 762 CG TRP A 52 8.649 5.180 -3.684 1.00 0.00 C ATOM 763 CD1 TRP A 52 8.188 4.409 -4.712 1.00 0.00 C ATOM 764 CD2 TRP A 52 9.730 5.947 -4.223 1.00 0.00 C ATOM 765 NE1 TRP A 52 8.884 4.676 -5.857 1.00 0.00 N ATOM 766 CE2 TRP A 52 9.837 5.605 -5.589 1.00 0.00 C ATOM 767 CE3 TRP A 52 10.607 6.890 -3.703 1.00 0.00 C ATOM 768 CZ2 TRP A 52 10.778 6.173 -6.429 1.00 0.00 C ATOM 769 CZ3 TRP A 52 11.546 7.445 -4.547 1.00 0.00 C ATOM 770 CH2 TRP A 52 11.623 7.088 -5.893 1.00 0.00 C ATOM 0 H TRP A 52 6.134 6.823 -2.862 1.00 0.00 H new ATOM 0 HA TRP A 52 6.480 3.905 -2.562 1.00 0.00 H new ATOM 0 HB2 TRP A 52 8.345 6.167 -1.818 1.00 0.00 H new ATOM 0 HB3 TRP A 52 8.674 4.452 -1.679 1.00 0.00 H new ATOM 0 HD1 TRP A 52 7.386 3.690 -4.632 1.00 0.00 H new ATOM 0 HE1 TRP A 52 8.715 4.247 -6.767 1.00 0.00 H new ATOM 0 HE3 TRP A 52 10.555 7.181 -2.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 10.837 5.898 -7.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 12.239 8.175 -4.156 1.00 0.00 H new ATOM 0 HH2 TRP A 52 12.371 7.550 -6.521 1.00 0.00 H new ATOM 781 N LEU A 53 5.665 3.877 -0.236 1.00 0.00 N ATOM 782 CA LEU A 53 5.071 3.837 1.077 1.00 0.00 C ATOM 783 C LEU A 53 5.275 2.494 1.763 1.00 0.00 C ATOM 784 O LEU A 53 5.512 1.480 1.125 1.00 0.00 O ATOM 785 CB LEU A 53 3.566 4.261 1.054 1.00 0.00 C ATOM 786 CG LEU A 53 2.523 3.372 0.327 1.00 0.00 C ATOM 787 CD1 LEU A 53 1.157 4.017 0.442 1.00 0.00 C ATOM 788 CD2 LEU A 53 2.851 3.151 -1.148 1.00 0.00 C ATOM 0 H LEU A 53 5.687 2.978 -0.717 1.00 0.00 H new ATOM 0 HA LEU A 53 5.599 4.577 1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.241 4.362 2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.515 5.253 0.606 1.00 0.00 H new ATOM 0 HG LEU A 53 2.540 2.395 0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.418 3.398 -0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.887 4.113 1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.181 5.005 -0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.085 2.522 -1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.882 4.112 -1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.821 2.661 -1.236 1.00 0.00 H new ATOM 800 N THR A 54 5.178 2.521 3.052 1.00 0.00 N ATOM 801 CA THR A 54 5.444 1.381 3.891 1.00 0.00 C ATOM 802 C THR A 54 4.145 0.643 4.227 1.00 0.00 C ATOM 803 O THR A 54 3.052 1.203 4.039 1.00 0.00 O ATOM 804 CB THR A 54 6.121 1.851 5.205 1.00 0.00 C ATOM 805 OG1 THR A 54 5.245 2.750 5.920 1.00 0.00 O ATOM 806 CG2 THR A 54 7.417 2.573 4.899 1.00 0.00 C ATOM 0 H THR A 54 4.905 3.355 3.572 1.00 0.00 H new ATOM 0 HA THR A 54 6.106 0.701 3.354 1.00 0.00 H new ATOM 0 HB THR A 54 6.328 0.973 5.817 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.157 3.588 5.419 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.881 2.897 5.830 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.093 1.900 4.372 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.211 3.442 4.275 1.00 0.00 H new ATOM 814 N PRO A 55 4.223 -0.630 4.713 1.00 0.00 N ATOM 815 CA PRO A 55 3.041 -1.371 5.183 1.00 0.00 C ATOM 816 C PRO A 55 2.356 -0.654 6.361 1.00 0.00 C ATOM 817 O PRO A 55 1.155 -0.826 6.605 1.00 0.00 O ATOM 818 CB PRO A 55 3.615 -2.729 5.618 1.00 0.00 C ATOM 819 CG PRO A 55 4.854 -2.858 4.804 1.00 0.00 C ATOM 820 CD PRO A 55 5.439 -1.476 4.773 1.00 0.00 C ATOM 0 HA PRO A 55 2.271 -1.461 4.416 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.832 -2.750 6.686 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.917 -3.542 5.419 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.548 -3.571 5.250 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.631 -3.216 3.799 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.039 -1.267 5.659 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.085 -1.325 3.908 1.00 0.00 H new ATOM 828 N THR A 56 3.129 0.155 7.065 1.00 0.00 N ATOM 829 CA THR A 56 2.652 0.975 8.144 1.00 0.00 C ATOM 830 C THR A 56 1.677 2.043 7.577 1.00 0.00 C ATOM 831 O THR A 56 0.545 2.228 8.106 1.00 0.00 O ATOM 832 CB THR A 56 3.860 1.641 8.802 1.00 0.00 C ATOM 833 OG1 THR A 56 4.884 0.637 8.954 1.00 0.00 O ATOM 834 CG2 THR A 56 3.491 2.187 10.172 1.00 0.00 C ATOM 0 H THR A 56 4.129 0.256 6.891 1.00 0.00 H new ATOM 0 HA THR A 56 2.118 0.379 8.884 1.00 0.00 H new ATOM 0 HB THR A 56 4.206 2.470 8.184 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.674 1.037 9.373 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.365 2.657 10.624 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.695 2.925 10.067 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.148 1.371 10.809 1.00 0.00 H new ATOM 842 N ASP A 57 2.110 2.711 6.473 1.00 0.00 N ATOM 843 CA ASP A 57 1.260 3.689 5.768 1.00 0.00 C ATOM 844 C ASP A 57 0.013 2.993 5.319 1.00 0.00 C ATOM 845 O ASP A 57 -1.109 3.446 5.584 1.00 0.00 O ATOM 846 CB ASP A 57 1.932 4.303 4.509 1.00 0.00 C ATOM 847 CG ASP A 57 3.196 5.112 4.750 1.00 0.00 C ATOM 848 OD1 ASP A 57 3.112 6.271 5.197 1.00 0.00 O ATOM 849 OD2 ASP A 57 4.293 4.625 4.424 1.00 0.00 O ATOM 0 H ASP A 57 3.035 2.586 6.061 1.00 0.00 H new ATOM 0 HA ASP A 57 1.065 4.501 6.469 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.170 3.494 3.818 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.205 4.944 4.011 1.00 0.00 H new ATOM 854 N TRP A 58 0.235 1.864 4.659 1.00 0.00 N ATOM 855 CA TRP A 58 -0.808 0.999 4.157 1.00 0.00 C ATOM 856 C TRP A 58 -1.899 0.723 5.170 1.00 0.00 C ATOM 857 O TRP A 58 -3.042 1.132 4.974 1.00 0.00 O ATOM 858 CB TRP A 58 -0.231 -0.331 3.700 1.00 0.00 C ATOM 859 CG TRP A 58 0.418 -0.315 2.363 1.00 0.00 C ATOM 860 CD1 TRP A 58 0.490 0.722 1.488 1.00 0.00 C ATOM 861 CD2 TRP A 58 1.045 -1.418 1.729 1.00 0.00 C ATOM 862 NE1 TRP A 58 1.135 0.327 0.351 1.00 0.00 N ATOM 863 CE2 TRP A 58 1.482 -0.982 0.473 1.00 0.00 C ATOM 864 CE3 TRP A 58 1.284 -2.738 2.109 1.00 0.00 C ATOM 865 CZ2 TRP A 58 2.136 -1.815 -0.408 1.00 0.00 C ATOM 866 CZ3 TRP A 58 1.931 -3.568 1.234 1.00 0.00 C ATOM 867 CH2 TRP A 58 2.350 -3.111 -0.007 1.00 0.00 C ATOM 0 H TRP A 58 1.174 1.521 4.456 1.00 0.00 H new ATOM 0 HA TRP A 58 -1.254 1.536 3.319 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.500 -0.664 4.437 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -1.031 -1.071 3.689 1.00 0.00 H new ATOM 0 HD1 TRP A 58 0.096 1.712 1.665 1.00 0.00 H new ATOM 0 HE1 TRP A 58 1.326 0.918 -0.458 1.00 0.00 H new ATOM 0 HE3 TRP A 58 0.965 -3.099 3.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 2.467 -1.463 -1.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 2.118 -4.594 1.514 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.857 -3.792 -0.675 1.00 0.00 H new ATOM 878 N ASN A 59 -1.567 0.035 6.238 1.00 0.00 N ATOM 879 CA ASN A 59 -2.576 -0.397 7.186 1.00 0.00 C ATOM 880 C ASN A 59 -3.358 0.756 7.768 1.00 0.00 C ATOM 881 O ASN A 59 -4.582 0.655 7.947 1.00 0.00 O ATOM 882 CB ASN A 59 -2.020 -1.324 8.269 1.00 0.00 C ATOM 883 CG ASN A 59 -1.587 -2.681 7.729 1.00 0.00 C ATOM 884 OD1 ASN A 59 -2.130 -3.179 6.716 1.00 0.00 O ATOM 885 ND2 ASN A 59 -0.637 -3.300 8.389 1.00 0.00 N ATOM 0 H ASN A 59 -0.613 -0.238 6.474 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.284 -0.993 6.611 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.168 -0.842 8.749 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.779 -1.471 9.038 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.317 -4.218 8.081 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.218 -2.863 9.210 1.00 0.00 H new ATOM 892 N THR A 60 -2.689 1.876 7.974 1.00 0.00 N ATOM 893 CA THR A 60 -3.347 3.060 8.494 1.00 0.00 C ATOM 894 C THR A 60 -4.350 3.629 7.440 1.00 0.00 C ATOM 895 O THR A 60 -5.504 3.999 7.773 1.00 0.00 O ATOM 896 CB THR A 60 -2.303 4.128 8.866 1.00 0.00 C ATOM 897 OG1 THR A 60 -1.291 3.532 9.716 1.00 0.00 O ATOM 898 CG2 THR A 60 -2.956 5.293 9.607 1.00 0.00 C ATOM 0 H THR A 60 -1.692 1.990 7.789 1.00 0.00 H new ATOM 0 HA THR A 60 -3.902 2.786 9.391 1.00 0.00 H new ATOM 0 HB THR A 60 -1.852 4.506 7.949 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.615 3.091 9.160 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.198 6.035 9.859 1.00 0.00 H new ATOM 0 HG22 THR A 60 -3.713 5.750 8.970 1.00 0.00 H new ATOM 0 HG23 THR A 60 -3.423 4.927 10.521 1.00 0.00 H new ATOM 906 N LEU A 61 -3.910 3.631 6.177 1.00 0.00 N ATOM 907 CA LEU A 61 -4.683 4.111 5.040 1.00 0.00 C ATOM 908 C LEU A 61 -6.021 3.381 4.991 1.00 0.00 C ATOM 909 O LEU A 61 -7.057 3.994 5.240 1.00 0.00 O ATOM 910 CB LEU A 61 -3.855 3.869 3.737 1.00 0.00 C ATOM 911 CG LEU A 61 -4.290 4.517 2.388 1.00 0.00 C ATOM 912 CD1 LEU A 61 -3.291 4.167 1.315 1.00 0.00 C ATOM 913 CD2 LEU A 61 -5.661 4.083 1.921 1.00 0.00 C ATOM 0 H LEU A 61 -2.984 3.290 5.917 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.886 5.178 5.134 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.836 4.200 3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.815 2.791 3.577 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.330 5.592 2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.596 4.621 0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.307 4.543 1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.246 3.084 1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.896 4.574 0.977 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.672 3.002 1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.404 4.359 2.669 1.00 0.00 H new ATOM 925 N VAL A 62 -5.972 2.059 4.748 1.00 0.00 N ATOM 926 CA VAL A 62 -7.183 1.232 4.574 1.00 0.00 C ATOM 927 C VAL A 62 -8.143 1.355 5.743 1.00 0.00 C ATOM 928 O VAL A 62 -9.331 1.613 5.554 1.00 0.00 O ATOM 929 CB VAL A 62 -6.855 -0.275 4.292 1.00 0.00 C ATOM 930 CG1 VAL A 62 -5.934 -0.871 5.346 1.00 0.00 C ATOM 931 CG2 VAL A 62 -8.130 -1.101 4.176 1.00 0.00 C ATOM 0 H VAL A 62 -5.100 1.536 4.667 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.679 1.632 3.689 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.328 -0.308 3.339 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.736 -1.916 5.107 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.995 -0.318 5.363 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.411 -0.806 6.324 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.873 -2.142 3.980 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.692 -1.035 5.107 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.739 -0.718 3.357 1.00 0.00 H new ATOM 941 N ARG A 63 -7.596 1.263 6.932 1.00 0.00 N ATOM 942 CA ARG A 63 -8.412 1.268 8.157 1.00 0.00 C ATOM 943 C ARG A 63 -9.139 2.604 8.389 1.00 0.00 C ATOM 944 O ARG A 63 -10.139 2.657 9.107 1.00 0.00 O ATOM 945 CB ARG A 63 -7.592 0.906 9.385 1.00 0.00 C ATOM 946 CG ARG A 63 -6.626 1.976 9.812 1.00 0.00 C ATOM 947 CD ARG A 63 -5.818 1.514 10.973 1.00 0.00 C ATOM 948 NE ARG A 63 -4.932 2.560 11.502 1.00 0.00 N ATOM 949 CZ ARG A 63 -3.831 2.321 12.225 1.00 0.00 C ATOM 950 NH1 ARG A 63 -3.541 1.072 12.602 1.00 0.00 N ATOM 951 NH2 ARG A 63 -3.058 3.317 12.608 1.00 0.00 N ATOM 0 H ARG A 63 -6.592 1.183 7.093 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.172 0.502 8.003 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.270 0.692 10.211 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.037 -0.010 9.182 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.968 2.232 8.982 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.171 2.882 10.078 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.487 1.177 11.764 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.219 0.654 10.674 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.172 3.532 11.305 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.158 0.304 12.339 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.703 0.887 13.153 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.297 4.275 12.354 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.220 3.130 13.159 1.00 0.00 H new ATOM 965 N ALA A 64 -8.650 3.673 7.802 1.00 0.00 N ATOM 966 CA ALA A 64 -9.296 4.952 7.983 1.00 0.00 C ATOM 967 C ALA A 64 -10.149 5.327 6.788 1.00 0.00 C ATOM 968 O ALA A 64 -11.277 5.783 6.937 1.00 0.00 O ATOM 969 CB ALA A 64 -8.260 6.042 8.268 1.00 0.00 C ATOM 0 H ALA A 64 -7.822 3.684 7.206 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.960 4.864 8.843 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.765 6.998 8.401 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.710 5.793 9.175 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.566 6.112 7.430 1.00 0.00 H new ATOM 975 N VAL A 65 -9.563 5.195 5.661 1.00 0.00 N ATOM 976 CA VAL A 65 -10.194 5.581 4.399 1.00 0.00 C ATOM 977 C VAL A 65 -11.622 4.996 4.164 1.00 0.00 C ATOM 978 O VAL A 65 -12.568 5.745 3.938 1.00 0.00 O ATOM 979 CB VAL A 65 -9.292 5.310 3.164 1.00 0.00 C ATOM 980 CG1 VAL A 65 -9.077 3.835 2.895 1.00 0.00 C ATOM 981 CG2 VAL A 65 -9.848 5.969 1.966 1.00 0.00 C ATOM 0 H VAL A 65 -8.622 4.815 5.556 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.323 6.658 4.509 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.315 5.733 3.397 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.439 3.714 2.020 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.599 3.373 3.759 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.038 3.355 2.712 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.204 5.769 1.109 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -10.847 5.581 1.768 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.904 7.044 2.135 1.00 0.00 H new ATOM 991 N LEU A 66 -11.787 3.707 4.264 1.00 0.00 N ATOM 992 CA LEU A 66 -13.048 3.112 3.891 1.00 0.00 C ATOM 993 C LEU A 66 -13.581 2.334 5.092 1.00 0.00 C ATOM 994 O LEU A 66 -12.819 2.066 6.035 1.00 0.00 O ATOM 995 CB LEU A 66 -12.821 2.278 2.578 1.00 0.00 C ATOM 996 CG LEU A 66 -14.041 1.882 1.679 1.00 0.00 C ATOM 997 CD1 LEU A 66 -13.561 1.530 0.295 1.00 0.00 C ATOM 998 CD2 LEU A 66 -14.831 0.722 2.251 1.00 0.00 C ATOM 0 H LEU A 66 -11.078 3.053 4.595 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.823 3.839 3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -12.127 2.840 1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -12.316 1.355 2.864 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.707 2.744 1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -14.413 1.255 -0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.054 2.389 -0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.868 0.690 0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -15.665 0.488 1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -14.183 -0.150 2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.214 0.992 3.235 1.00 0.00 H new ATOM 1010 N SER A 67 -14.863 2.068 5.121 1.00 0.00 N ATOM 1011 CA SER A 67 -15.458 1.410 6.255 1.00 0.00 C ATOM 1012 C SER A 67 -16.361 0.257 5.813 1.00 0.00 C ATOM 1013 O SER A 67 -16.959 0.285 4.722 1.00 0.00 O ATOM 1014 CB SER A 67 -16.261 2.430 7.076 1.00 0.00 C ATOM 1015 OG SER A 67 -16.676 1.899 8.333 1.00 0.00 O ATOM 0 H SER A 67 -15.515 2.298 4.371 1.00 0.00 H new ATOM 0 HA SER A 67 -14.662 0.992 6.871 1.00 0.00 H new ATOM 0 HB2 SER A 67 -15.654 3.320 7.242 1.00 0.00 H new ATOM 0 HB3 SER A 67 -17.137 2.743 6.508 1.00 0.00 H new ATOM 0 HG SER A 67 -17.182 2.579 8.825 1.00 0.00 H new ATOM 1021 N GLY A 68 -16.440 -0.755 6.652 1.00 0.00 N ATOM 1022 CA GLY A 68 -17.311 -1.869 6.422 1.00 0.00 C ATOM 1023 C GLY A 68 -16.674 -2.951 5.597 1.00 0.00 C ATOM 1024 O GLY A 68 -16.099 -3.909 6.143 1.00 0.00 O ATOM 0 H GLY A 68 -15.897 -0.820 7.513 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -17.621 -2.285 7.381 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -18.213 -1.520 5.920 1.00 0.00 H new ATOM 1028 N GLY A 69 -16.714 -2.782 4.301 1.00 0.00 N ATOM 1029 CA GLY A 69 -16.260 -3.814 3.395 1.00 0.00 C ATOM 1030 C GLY A 69 -14.753 -3.892 3.242 1.00 0.00 C ATOM 1031 O GLY A 69 -14.222 -4.949 2.862 1.00 0.00 O ATOM 0 H GLY A 69 -17.057 -1.937 3.844 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.628 -4.778 3.747 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -16.705 -3.642 2.415 1.00 0.00 H new ATOM 1035 N ASP A 70 -14.071 -2.786 3.548 1.00 0.00 N ATOM 1036 CA ASP A 70 -12.604 -2.635 3.350 1.00 0.00 C ATOM 1037 C ASP A 70 -11.807 -3.850 3.821 1.00 0.00 C ATOM 1038 O ASP A 70 -11.081 -4.473 3.031 1.00 0.00 O ATOM 1039 CB ASP A 70 -12.073 -1.347 4.041 1.00 0.00 C ATOM 1040 CG ASP A 70 -12.239 -1.357 5.558 1.00 0.00 C ATOM 1041 OD1 ASP A 70 -13.375 -1.174 6.044 1.00 0.00 O ATOM 1042 OD2 ASP A 70 -11.264 -1.590 6.283 1.00 0.00 O ATOM 0 H ASP A 70 -14.513 -1.956 3.944 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.455 -2.552 2.273 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.017 -1.224 3.800 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -12.596 -0.483 3.632 1.00 0.00 H new ATOM 1047 N HIS A 71 -12.020 -4.233 5.063 1.00 0.00 N ATOM 1048 CA HIS A 71 -11.252 -5.272 5.684 1.00 0.00 C ATOM 1049 C HIS A 71 -11.464 -6.605 4.972 1.00 0.00 C ATOM 1050 O HIS A 71 -10.511 -7.236 4.553 1.00 0.00 O ATOM 1051 CB HIS A 71 -11.612 -5.375 7.168 1.00 0.00 C ATOM 1052 CG HIS A 71 -10.496 -5.883 8.040 1.00 0.00 C ATOM 1053 ND1 HIS A 71 -9.762 -5.051 8.849 1.00 0.00 N ATOM 1054 CD2 HIS A 71 -9.996 -7.125 8.244 1.00 0.00 C ATOM 1055 CE1 HIS A 71 -8.871 -5.745 9.508 1.00 0.00 C ATOM 1056 NE2 HIS A 71 -8.983 -7.003 9.163 1.00 0.00 N ATOM 0 H HIS A 71 -12.735 -3.826 5.666 1.00 0.00 H new ATOM 0 HA HIS A 71 -10.194 -5.021 5.603 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -11.918 -4.392 7.525 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -12.472 -6.036 7.277 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -10.330 -8.038 7.773 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -8.161 -5.347 10.218 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -8.411 -7.768 9.519 1.00 0.00 H new ATOM 1065 N LEU A 72 -12.708 -6.981 4.771 1.00 0.00 N ATOM 1066 CA LEU A 72 -13.014 -8.262 4.167 1.00 0.00 C ATOM 1067 C LEU A 72 -12.417 -8.474 2.766 1.00 0.00 C ATOM 1068 O LEU A 72 -11.672 -9.423 2.565 1.00 0.00 O ATOM 1069 CB LEU A 72 -14.510 -8.665 4.330 1.00 0.00 C ATOM 1070 CG LEU A 72 -15.607 -7.637 3.946 1.00 0.00 C ATOM 1071 CD1 LEU A 72 -15.842 -7.544 2.453 1.00 0.00 C ATOM 1072 CD2 LEU A 72 -16.891 -7.959 4.653 1.00 0.00 C ATOM 0 H LEU A 72 -13.524 -6.420 5.016 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.468 -8.999 4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -14.677 -9.563 3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.666 -8.940 5.373 1.00 0.00 H new ATOM 0 HG LEU A 72 -15.243 -6.661 4.266 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -16.621 -6.808 2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -14.920 -7.241 1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -16.155 -8.516 2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -17.652 -7.230 4.375 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -17.223 -8.957 4.368 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -16.732 -7.924 5.731 1.00 0.00 H new ATOM 1084 N LEU A 73 -12.665 -7.608 1.817 1.00 0.00 N ATOM 1085 CA LEU A 73 -12.054 -7.858 0.519 1.00 0.00 C ATOM 1086 C LEU A 73 -10.675 -7.274 0.314 1.00 0.00 C ATOM 1087 O LEU A 73 -9.763 -8.032 -0.022 1.00 0.00 O ATOM 1088 CB LEU A 73 -12.951 -7.721 -0.693 1.00 0.00 C ATOM 1089 CG LEU A 73 -13.735 -8.984 -1.151 1.00 0.00 C ATOM 1090 CD1 LEU A 73 -12.815 -10.152 -1.449 1.00 0.00 C ATOM 1091 CD2 LEU A 73 -14.800 -9.394 -0.167 1.00 0.00 C ATOM 0 H LEU A 73 -13.245 -6.773 1.896 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.889 -8.933 0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.674 -6.931 -0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -12.338 -7.384 -1.529 1.00 0.00 H new ATOM 0 HG LEU A 73 -14.233 -8.700 -2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -13.408 -11.011 -1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.123 -9.876 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -12.252 -10.410 -0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -15.315 -10.280 -0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -14.340 -9.617 0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -15.516 -8.581 -0.047 1.00 0.00 H new ATOM 1103 N TRP A 74 -10.487 -5.944 0.532 1.00 0.00 N ATOM 1104 CA TRP A 74 -9.159 -5.347 0.379 1.00 0.00 C ATOM 1105 C TRP A 74 -8.156 -6.111 1.260 1.00 0.00 C ATOM 1106 O TRP A 74 -7.059 -6.449 0.880 1.00 0.00 O ATOM 1107 CB TRP A 74 -9.124 -3.850 0.840 1.00 0.00 C ATOM 1108 CG TRP A 74 -9.796 -2.720 -0.003 1.00 0.00 C ATOM 1109 CD1 TRP A 74 -10.758 -2.773 -0.982 1.00 0.00 C ATOM 1110 CD2 TRP A 74 -9.442 -1.341 0.099 1.00 0.00 C ATOM 1111 NE1 TRP A 74 -11.070 -1.484 -1.422 1.00 0.00 N ATOM 1112 CE2 TRP A 74 -10.278 -0.589 -0.743 1.00 0.00 C ATOM 1113 CE3 TRP A 74 -8.510 -0.705 0.853 1.00 0.00 C ATOM 1114 CZ2 TRP A 74 -10.198 0.814 -0.823 1.00 0.00 C ATOM 1115 CZ3 TRP A 74 -8.398 0.694 0.787 1.00 0.00 C ATOM 1116 CH2 TRP A 74 -9.257 1.447 -0.039 1.00 0.00 C ATOM 0 H TRP A 74 -11.223 -5.293 0.806 1.00 0.00 H new ATOM 0 HA TRP A 74 -8.905 -5.403 -0.680 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -9.573 -3.814 1.833 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -8.075 -3.578 0.954 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -11.208 -3.680 -1.357 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -11.767 -1.247 -2.128 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -7.857 -1.272 1.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -10.851 1.375 -1.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -7.646 1.198 1.376 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -9.178 2.524 -0.058 1.00 0.00 H new ATOM 1127 N LYS A 75 -8.568 -6.368 2.423 1.00 0.00 N ATOM 1128 CA LYS A 75 -7.685 -6.894 3.414 1.00 0.00 C ATOM 1129 C LYS A 75 -7.518 -8.376 3.505 1.00 0.00 C ATOM 1130 O LYS A 75 -6.391 -8.822 3.654 1.00 0.00 O ATOM 1131 CB LYS A 75 -7.758 -6.153 4.709 1.00 0.00 C ATOM 1132 CG LYS A 75 -7.532 -4.672 4.488 1.00 0.00 C ATOM 1133 CD LYS A 75 -6.117 -4.361 3.985 1.00 0.00 C ATOM 1134 CE LYS A 75 -5.129 -4.471 5.148 1.00 0.00 C ATOM 1135 NZ LYS A 75 -3.750 -4.103 4.799 1.00 0.00 N ATOM 0 H LYS A 75 -9.528 -6.226 2.738 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.702 -6.669 3.000 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.732 -6.313 5.171 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.010 -6.542 5.400 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.260 -4.301 3.767 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.707 -4.138 5.422 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.840 -5.055 3.191 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.083 -3.359 3.558 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.470 -3.831 5.962 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.137 -5.495 5.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.262 -3.744 5.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.248 -4.939 4.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.762 -3.365 4.067 1.00 0.00 H new ATOM 1149 N SER A 76 -8.591 -9.168 3.419 1.00 0.00 N ATOM 1150 CA SER A 76 -8.391 -10.611 3.464 1.00 0.00 C ATOM 1151 C SER A 76 -7.591 -11.024 2.248 1.00 0.00 C ATOM 1152 O SER A 76 -6.691 -11.868 2.336 1.00 0.00 O ATOM 1153 CB SER A 76 -9.711 -11.385 3.541 1.00 0.00 C ATOM 1154 OG SER A 76 -9.493 -12.778 3.674 1.00 0.00 O ATOM 0 H SER A 76 -9.556 -8.853 3.323 1.00 0.00 H new ATOM 0 HA SER A 76 -7.845 -10.857 4.375 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.295 -11.025 4.388 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.299 -11.192 2.644 1.00 0.00 H new ATOM 0 HG SER A 76 -10.355 -13.241 3.722 1.00 0.00 H new ATOM 1160 N GLU A 77 -7.850 -10.361 1.117 1.00 0.00 N ATOM 1161 CA GLU A 77 -7.104 -10.662 -0.057 1.00 0.00 C ATOM 1162 C GLU A 77 -5.695 -10.115 0.066 1.00 0.00 C ATOM 1163 O GLU A 77 -4.800 -10.614 -0.571 1.00 0.00 O ATOM 1164 CB GLU A 77 -7.768 -10.158 -1.324 1.00 0.00 C ATOM 1165 CG GLU A 77 -9.179 -10.675 -1.575 1.00 0.00 C ATOM 1166 CD GLU A 77 -9.324 -12.170 -1.501 1.00 0.00 C ATOM 1167 OE1 GLU A 77 -8.724 -12.889 -2.335 1.00 0.00 O ATOM 1168 OE2 GLU A 77 -10.082 -12.650 -0.629 1.00 0.00 O ATOM 0 H GLU A 77 -8.557 -9.634 1.013 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.065 -11.748 -0.142 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.800 -9.069 -1.288 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.143 -10.431 -2.174 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.852 -10.222 -0.847 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.504 -10.341 -2.560 1.00 0.00 H new ATOM 1175 N PHE A 78 -5.485 -9.079 0.901 1.00 0.00 N ATOM 1176 CA PHE A 78 -4.137 -8.584 1.148 1.00 0.00 C ATOM 1177 C PHE A 78 -3.305 -9.691 1.771 1.00 0.00 C ATOM 1178 O PHE A 78 -2.196 -9.972 1.336 1.00 0.00 O ATOM 1179 CB PHE A 78 -4.183 -7.340 2.063 1.00 0.00 C ATOM 1180 CG PHE A 78 -2.851 -6.817 2.510 1.00 0.00 C ATOM 1181 CD1 PHE A 78 -2.077 -6.035 1.672 1.00 0.00 C ATOM 1182 CD2 PHE A 78 -2.381 -7.100 3.788 1.00 0.00 C ATOM 1183 CE1 PHE A 78 -0.857 -5.548 2.103 1.00 0.00 C ATOM 1184 CE2 PHE A 78 -1.168 -6.618 4.220 1.00 0.00 C ATOM 1185 CZ PHE A 78 -0.403 -5.838 3.379 1.00 0.00 C ATOM 0 H PHE A 78 -6.222 -8.584 1.402 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.677 -8.286 0.206 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -4.709 -6.543 1.537 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.774 -7.582 2.947 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.427 -5.804 0.677 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.978 -7.708 4.451 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.256 -4.940 1.443 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.816 -6.849 5.214 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.549 -5.454 3.715 1.00 0.00 H new ATOM 1195 N PHE A 79 -3.870 -10.344 2.753 1.00 0.00 N ATOM 1196 CA PHE A 79 -3.206 -11.431 3.422 1.00 0.00 C ATOM 1197 C PHE A 79 -2.916 -12.579 2.479 1.00 0.00 C ATOM 1198 O PHE A 79 -1.774 -13.050 2.382 1.00 0.00 O ATOM 1199 CB PHE A 79 -3.999 -11.902 4.630 1.00 0.00 C ATOM 1200 CG PHE A 79 -4.000 -10.904 5.753 1.00 0.00 C ATOM 1201 CD1 PHE A 79 -2.892 -10.762 6.561 1.00 0.00 C ATOM 1202 CD2 PHE A 79 -5.096 -10.093 5.984 1.00 0.00 C ATOM 1203 CE1 PHE A 79 -2.882 -9.832 7.575 1.00 0.00 C ATOM 1204 CE2 PHE A 79 -5.094 -9.161 6.997 1.00 0.00 C ATOM 1205 CZ PHE A 79 -3.985 -9.033 7.793 1.00 0.00 C ATOM 0 H PHE A 79 -4.802 -10.137 3.111 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.248 -11.052 3.777 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.027 -12.103 4.328 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.582 -12.844 4.988 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.025 -11.385 6.397 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.970 -10.193 5.358 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.009 -9.727 8.202 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.959 -8.536 7.163 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.975 -8.306 8.591 1.00 0.00 H new ATOM 1215 N GLU A 80 -3.916 -12.985 1.758 1.00 0.00 N ATOM 1216 CA GLU A 80 -3.796 -14.090 0.850 1.00 0.00 C ATOM 1217 C GLU A 80 -2.831 -13.799 -0.322 1.00 0.00 C ATOM 1218 O GLU A 80 -1.911 -14.577 -0.554 1.00 0.00 O ATOM 1219 CB GLU A 80 -5.174 -14.505 0.363 1.00 0.00 C ATOM 1220 CG GLU A 80 -6.128 -14.908 1.492 1.00 0.00 C ATOM 1221 CD GLU A 80 -5.634 -16.073 2.330 1.00 0.00 C ATOM 1222 OE1 GLU A 80 -4.847 -15.843 3.282 1.00 0.00 O ATOM 1223 OE2 GLU A 80 -6.049 -17.233 2.078 1.00 0.00 O ATOM 0 H GLU A 80 -4.843 -12.559 1.781 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.350 -14.924 1.393 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.615 -13.681 -0.198 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.069 -15.341 -0.329 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.289 -14.048 2.142 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.095 -15.167 1.062 1.00 0.00 H new ATOM 1230 N ASN A 81 -3.007 -12.659 -1.002 1.00 0.00 N ATOM 1231 CA ASN A 81 -2.190 -12.291 -2.195 1.00 0.00 C ATOM 1232 C ASN A 81 -0.733 -12.062 -1.843 1.00 0.00 C ATOM 1233 O ASN A 81 0.169 -12.511 -2.554 1.00 0.00 O ATOM 1234 CB ASN A 81 -2.720 -11.024 -2.927 1.00 0.00 C ATOM 1235 CG ASN A 81 -4.113 -11.169 -3.524 1.00 0.00 C ATOM 1236 OD1 ASN A 81 -4.545 -12.262 -3.898 1.00 0.00 O ATOM 1237 ND2 ASN A 81 -4.830 -10.070 -3.616 1.00 0.00 N ATOM 0 H ASN A 81 -3.710 -11.963 -0.754 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.277 -13.147 -2.864 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.726 -10.191 -2.224 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.023 -10.764 -3.724 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -5.772 -10.107 -4.006 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.444 -9.181 -3.298 1.00 0.00 H new ATOM 1244 N CYS A 82 -0.493 -11.375 -0.753 1.00 0.00 N ATOM 1245 CA CYS A 82 0.857 -11.067 -0.353 1.00 0.00 C ATOM 1246 C CYS A 82 1.644 -12.306 0.053 1.00 0.00 C ATOM 1247 O CYS A 82 2.783 -12.466 -0.349 1.00 0.00 O ATOM 1248 CB CYS A 82 0.865 -10.002 0.713 1.00 0.00 C ATOM 1249 SG CYS A 82 0.244 -8.400 0.142 1.00 0.00 S ATOM 0 H CYS A 82 -1.215 -11.019 -0.127 1.00 0.00 H new ATOM 0 HA CYS A 82 1.375 -10.666 -1.224 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.259 -10.338 1.555 1.00 0.00 H new ATOM 0 HB3 CYS A 82 1.883 -9.877 1.082 1.00 0.00 H new ATOM 0 HG CYS A 82 -0.222 -7.730 1.154 1.00 0.00 H new ATOM 1255 N ARG A 83 1.025 -13.220 0.782 1.00 0.00 N ATOM 1256 CA ARG A 83 1.745 -14.436 1.185 1.00 0.00 C ATOM 1257 C ARG A 83 1.865 -15.390 -0.005 1.00 0.00 C ATOM 1258 O ARG A 83 2.778 -16.210 -0.082 1.00 0.00 O ATOM 1259 CB ARG A 83 1.048 -15.116 2.347 1.00 0.00 C ATOM 1260 CG ARG A 83 0.836 -14.206 3.545 1.00 0.00 C ATOM 1261 CD ARG A 83 2.118 -13.677 4.147 1.00 0.00 C ATOM 1262 NE ARG A 83 1.820 -12.779 5.264 1.00 0.00 N ATOM 1263 CZ ARG A 83 1.854 -13.138 6.549 1.00 0.00 C ATOM 1264 NH1 ARG A 83 2.208 -14.378 6.897 1.00 0.00 N ATOM 1265 NH2 ARG A 83 1.509 -12.272 7.487 1.00 0.00 N ATOM 0 H ARG A 83 0.059 -13.157 1.102 1.00 0.00 H new ATOM 0 HA ARG A 83 2.746 -14.155 1.513 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.082 -15.492 2.011 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.635 -15.980 2.657 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.213 -13.364 3.243 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.285 -14.752 4.311 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.735 -14.506 4.492 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.693 -13.146 3.388 1.00 0.00 H new ATOM 0 HE ARG A 83 1.570 -11.815 5.046 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.455 -15.059 6.178 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.231 -14.644 7.881 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.217 -11.330 7.228 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.535 -12.547 8.469 1.00 0.00 H new ATOM 1279 N ASP A 84 0.947 -15.245 -0.935 1.00 0.00 N ATOM 1280 CA ASP A 84 0.916 -16.021 -2.174 1.00 0.00 C ATOM 1281 C ASP A 84 2.155 -15.727 -2.995 1.00 0.00 C ATOM 1282 O ASP A 84 2.933 -16.636 -3.380 1.00 0.00 O ATOM 1283 CB ASP A 84 -0.311 -15.615 -2.975 1.00 0.00 C ATOM 1284 CG ASP A 84 -0.504 -16.386 -4.238 1.00 0.00 C ATOM 1285 OD1 ASP A 84 -1.010 -17.528 -4.184 1.00 0.00 O ATOM 1286 OD2 ASP A 84 -0.198 -15.852 -5.314 1.00 0.00 O ATOM 0 H ASP A 84 0.183 -14.574 -0.858 1.00 0.00 H new ATOM 0 HA ASP A 84 0.882 -17.084 -1.937 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -1.195 -15.738 -2.350 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -0.237 -14.555 -3.218 1.00 0.00 H new ATOM 1291 N THR A 85 2.372 -14.466 -3.239 1.00 0.00 N ATOM 1292 CA THR A 85 3.502 -14.069 -3.992 1.00 0.00 C ATOM 1293 C THR A 85 4.773 -14.235 -3.157 1.00 0.00 C ATOM 1294 O THR A 85 5.836 -14.479 -3.702 1.00 0.00 O ATOM 1295 CB THR A 85 3.353 -12.646 -4.568 1.00 0.00 C ATOM 1296 OG1 THR A 85 4.418 -12.388 -5.501 1.00 0.00 O ATOM 1297 CG2 THR A 85 3.379 -11.583 -3.482 1.00 0.00 C ATOM 0 H THR A 85 1.774 -13.703 -2.922 1.00 0.00 H new ATOM 0 HA THR A 85 3.581 -14.725 -4.859 1.00 0.00 H new ATOM 0 HB THR A 85 2.385 -12.596 -5.067 1.00 0.00 H new ATOM 0 HG1 THR A 85 5.166 -11.960 -5.034 1.00 0.00 H new ATOM 0 HG21 THR A 85 3.271 -10.597 -3.935 1.00 0.00 H new ATOM 0 HG22 THR A 85 2.558 -11.754 -2.786 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.327 -11.634 -2.946 1.00 0.00 H new ATOM 1305 N ALA A 86 4.635 -14.151 -1.820 1.00 0.00 N ATOM 1306 CA ALA A 86 5.733 -14.392 -0.907 1.00 0.00 C ATOM 1307 C ALA A 86 6.328 -15.740 -1.143 1.00 0.00 C ATOM 1308 O ALA A 86 7.527 -15.840 -1.398 1.00 0.00 O ATOM 1309 CB ALA A 86 5.286 -14.264 0.535 1.00 0.00 C ATOM 0 H ALA A 86 3.757 -13.914 -1.359 1.00 0.00 H new ATOM 0 HA ALA A 86 6.493 -13.634 -1.097 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.132 -14.450 1.196 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.904 -13.258 0.710 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.500 -14.991 0.738 1.00 0.00 H new ATOM 1315 N LYS A 87 5.496 -16.778 -1.108 1.00 0.00 N ATOM 1316 CA LYS A 87 5.986 -18.133 -1.338 1.00 0.00 C ATOM 1317 C LYS A 87 6.593 -18.281 -2.732 1.00 0.00 C ATOM 1318 O LYS A 87 7.562 -19.024 -2.916 1.00 0.00 O ATOM 1319 CB LYS A 87 4.944 -19.238 -1.048 1.00 0.00 C ATOM 1320 CG LYS A 87 3.641 -19.160 -1.836 1.00 0.00 C ATOM 1321 CD LYS A 87 2.767 -20.400 -1.622 1.00 0.00 C ATOM 1322 CE LYS A 87 2.441 -20.619 -0.149 1.00 0.00 C ATOM 1323 NZ LYS A 87 1.524 -21.757 0.065 1.00 0.00 N ATOM 0 H LYS A 87 4.495 -16.709 -0.926 1.00 0.00 H new ATOM 0 HA LYS A 87 6.778 -18.284 -0.604 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.406 -20.205 -1.246 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.703 -19.211 0.015 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.088 -18.270 -1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.865 -19.053 -2.897 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.841 -20.293 -2.187 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.280 -21.278 -2.015 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.365 -20.793 0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 87 1.992 -19.713 0.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.334 -21.863 1.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.630 -21.582 -0.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.961 -22.628 -0.299 1.00 0.00 H new ATOM 1337 N ARG A 88 6.057 -17.539 -3.711 1.00 0.00 N ATOM 1338 CA ARG A 88 6.655 -17.551 -5.063 1.00 0.00 C ATOM 1339 C ARG A 88 8.021 -16.883 -5.078 1.00 0.00 C ATOM 1340 O ARG A 88 8.936 -17.320 -5.756 1.00 0.00 O ATOM 1341 CB ARG A 88 5.766 -16.892 -6.115 1.00 0.00 C ATOM 1342 CG ARG A 88 4.797 -17.819 -6.806 1.00 0.00 C ATOM 1343 CD ARG A 88 3.863 -18.485 -5.847 1.00 0.00 C ATOM 1344 NE ARG A 88 2.895 -19.297 -6.546 1.00 0.00 N ATOM 1345 CZ ARG A 88 1.623 -19.403 -6.210 1.00 0.00 C ATOM 1346 NH1 ARG A 88 1.180 -18.794 -5.130 1.00 0.00 N ATOM 1347 NH2 ARG A 88 0.814 -20.134 -6.944 1.00 0.00 N ATOM 0 H ARG A 88 5.238 -16.940 -3.605 1.00 0.00 H new ATOM 0 HA ARG A 88 6.761 -18.605 -5.321 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.201 -16.090 -5.640 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.403 -16.430 -6.869 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.220 -17.256 -7.539 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.354 -18.579 -7.354 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.430 -19.106 -5.153 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.348 -17.731 -5.252 1.00 0.00 H new ATOM 0 HE ARG A 88 3.217 -19.826 -7.357 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.819 -18.243 -4.557 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.198 -18.873 -4.867 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.170 -20.616 -7.769 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.170 -20.219 -6.688 1.00 0.00 H new ATOM 1361 N ASN A 89 8.163 -15.864 -4.301 1.00 0.00 N ATOM 1362 CA ASN A 89 9.374 -15.089 -4.291 1.00 0.00 C ATOM 1363 C ASN A 89 10.450 -15.782 -3.447 1.00 0.00 C ATOM 1364 O ASN A 89 11.654 -15.590 -3.673 1.00 0.00 O ATOM 1365 CB ASN A 89 9.072 -13.685 -3.778 1.00 0.00 C ATOM 1366 CG ASN A 89 10.000 -12.624 -4.334 1.00 0.00 C ATOM 1367 OD1 ASN A 89 9.435 -11.472 -4.628 1.00 0.00 O flip ATOM 1368 ND2 ASN A 89 11.186 -12.851 -4.553 1.00 0.00 N flip ATOM 0 H ASN A 89 7.447 -15.538 -3.651 1.00 0.00 H new ATOM 0 HA ASN A 89 9.764 -15.008 -5.306 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.044 -13.427 -4.033 1.00 0.00 H new ATOM 0 HB3 ASN A 89 9.140 -13.682 -2.690 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.585 -13.758 -4.310 1.00 0.00 H new ATOM 0 HD22 ASN A 89 11.773 -12.133 -4.978 1.00 0.00 H new ATOM 1375 N GLN A 90 10.026 -16.605 -2.482 1.00 0.00 N ATOM 1376 CA GLN A 90 10.977 -17.364 -1.672 1.00 0.00 C ATOM 1377 C GLN A 90 11.583 -18.475 -2.503 1.00 0.00 C ATOM 1378 O GLN A 90 12.782 -18.695 -2.448 1.00 0.00 O ATOM 1379 CB GLN A 90 10.355 -17.968 -0.394 1.00 0.00 C ATOM 1380 CG GLN A 90 9.586 -17.013 0.521 1.00 0.00 C ATOM 1381 CD GLN A 90 10.266 -15.678 0.714 1.00 0.00 C ATOM 1382 OE1 GLN A 90 11.099 -15.501 1.580 1.00 0.00 O ATOM 1383 NE2 GLN A 90 9.846 -14.717 -0.049 1.00 0.00 N ATOM 0 H GLN A 90 9.046 -16.760 -2.247 1.00 0.00 H new ATOM 0 HA GLN A 90 11.741 -16.656 -1.350 1.00 0.00 H new ATOM 0 HB2 GLN A 90 9.679 -18.770 -0.692 1.00 0.00 H new ATOM 0 HB3 GLN A 90 11.155 -18.425 0.189 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.592 -16.848 0.106 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.451 -17.486 1.494 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.145 -14.904 -0.766 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.217 -13.774 0.068 1.00 0.00 H new ATOM 1392 N GLN A 91 10.754 -19.158 -3.289 1.00 0.00 N ATOM 1393 CA GLN A 91 11.239 -20.227 -4.165 1.00 0.00 C ATOM 1394 C GLN A 91 12.063 -19.651 -5.321 1.00 0.00 C ATOM 1395 O GLN A 91 12.931 -20.317 -5.862 1.00 0.00 O ATOM 1396 CB GLN A 91 10.077 -21.094 -4.669 1.00 0.00 C ATOM 1397 CG GLN A 91 9.036 -20.326 -5.448 1.00 0.00 C ATOM 1398 CD GLN A 91 7.806 -21.126 -5.761 1.00 0.00 C ATOM 1399 OE1 GLN A 91 7.714 -21.774 -6.811 1.00 0.00 O ATOM 1400 NE2 GLN A 91 6.854 -21.084 -4.861 1.00 0.00 N ATOM 0 H GLN A 91 9.749 -18.993 -3.339 1.00 0.00 H new ATOM 0 HA GLN A 91 11.897 -20.874 -3.585 1.00 0.00 H new ATOM 0 HB2 GLN A 91 10.476 -21.889 -5.299 1.00 0.00 H new ATOM 0 HB3 GLN A 91 9.598 -21.574 -3.816 1.00 0.00 H new ATOM 0 HG2 GLN A 91 8.749 -19.442 -4.879 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.478 -19.976 -6.381 1.00 0.00 H new ATOM 0 HE21 GLN A 91 6.980 -20.534 -4.011 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.988 -21.601 -5.010 1.00 0.00 H new ATOM 1409 N ALA A 92 11.784 -18.400 -5.687 1.00 0.00 N ATOM 1410 CA ALA A 92 12.593 -17.700 -6.677 1.00 0.00 C ATOM 1411 C ALA A 92 13.913 -17.299 -6.023 1.00 0.00 C ATOM 1412 O ALA A 92 14.895 -17.018 -6.690 1.00 0.00 O ATOM 1413 CB ALA A 92 11.859 -16.483 -7.219 1.00 0.00 C ATOM 0 H ALA A 92 11.007 -17.855 -5.313 1.00 0.00 H new ATOM 0 HA ALA A 92 12.788 -18.357 -7.524 1.00 0.00 H new ATOM 0 HB1 ALA A 92 12.485 -15.979 -7.956 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.928 -16.799 -7.689 1.00 0.00 H new ATOM 0 HB3 ALA A 92 11.638 -15.797 -6.401 1.00 0.00 H new ATOM 1419 N GLY A 93 13.887 -17.261 -4.699 1.00 0.00 N ATOM 1420 CA GLY A 93 15.060 -17.051 -3.896 1.00 0.00 C ATOM 1421 C GLY A 93 15.553 -15.634 -3.853 1.00 0.00 C ATOM 1422 O GLY A 93 16.756 -15.398 -3.682 1.00 0.00 O ATOM 0 H GLY A 93 13.033 -17.378 -4.154 1.00 0.00 H new ATOM 0 HA2 GLY A 93 14.848 -17.377 -2.878 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.860 -17.687 -4.275 1.00 0.00 H new ATOM 1426 N ASN A 94 14.666 -14.684 -4.022 1.00 0.00 N ATOM 1427 CA ASN A 94 15.083 -13.286 -3.932 1.00 0.00 C ATOM 1428 C ASN A 94 15.020 -12.810 -2.496 1.00 0.00 C ATOM 1429 O ASN A 94 15.859 -12.034 -2.051 1.00 0.00 O ATOM 1430 CB ASN A 94 14.230 -12.360 -4.790 1.00 0.00 C ATOM 1431 CG ASN A 94 14.162 -12.728 -6.253 1.00 0.00 C ATOM 1432 OD1 ASN A 94 13.097 -13.373 -6.639 1.00 0.00 O flip ATOM 1433 ND2 ASN A 94 15.017 -12.358 -7.039 1.00 0.00 N flip ATOM 0 H ASN A 94 13.676 -14.834 -4.217 1.00 0.00 H new ATOM 0 HA ASN A 94 16.106 -13.246 -4.305 1.00 0.00 H new ATOM 0 HB2 ASN A 94 13.217 -12.346 -4.387 1.00 0.00 H new ATOM 0 HB3 ASN A 94 14.621 -11.346 -4.704 1.00 0.00 H new ATOM 0 HD21 ASN A 94 15.838 -11.855 -6.701 1.00 0.00 H new ATOM 0 HD22 ASN A 94 14.912 -12.551 -8.035 1.00 0.00 H new ATOM 1440 N GLY A 95 14.019 -13.288 -1.775 1.00 0.00 N ATOM 1441 CA GLY A 95 13.851 -12.896 -0.391 1.00 0.00 C ATOM 1442 C GLY A 95 12.963 -11.677 -0.231 1.00 0.00 C ATOM 1443 O GLY A 95 13.086 -10.930 0.745 1.00 0.00 O ATOM 0 H GLY A 95 13.318 -13.942 -2.124 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.423 -13.728 0.168 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.828 -12.688 0.045 1.00 0.00 H new ATOM 1447 N TRP A 96 12.077 -11.472 -1.185 1.00 0.00 N ATOM 1448 CA TRP A 96 11.132 -10.374 -1.143 1.00 0.00 C ATOM 1449 C TRP A 96 9.799 -10.939 -0.883 1.00 0.00 C ATOM 1450 O TRP A 96 9.671 -12.150 -0.743 1.00 0.00 O ATOM 1451 CB TRP A 96 11.058 -9.612 -2.466 1.00 0.00 C ATOM 1452 CG TRP A 96 12.320 -9.011 -2.878 1.00 0.00 C ATOM 1453 CD1 TRP A 96 13.170 -8.323 -2.098 1.00 0.00 C ATOM 1454 CD2 TRP A 96 12.872 -9.009 -4.187 1.00 0.00 C ATOM 1455 NE1 TRP A 96 14.229 -7.923 -2.816 1.00 0.00 N ATOM 1456 CE2 TRP A 96 14.085 -8.329 -4.110 1.00 0.00 C ATOM 1457 CE3 TRP A 96 12.465 -9.528 -5.412 1.00 0.00 C ATOM 1458 CZ2 TRP A 96 14.913 -8.150 -5.213 1.00 0.00 C ATOM 1459 CZ3 TRP A 96 13.280 -9.351 -6.504 1.00 0.00 C ATOM 1460 CH2 TRP A 96 14.495 -8.669 -6.399 1.00 0.00 C ATOM 0 H TRP A 96 11.992 -12.063 -2.012 1.00 0.00 H new ATOM 0 HA TRP A 96 11.458 -9.680 -0.369 1.00 0.00 H new ATOM 0 HB2 TRP A 96 10.720 -10.293 -3.247 1.00 0.00 H new ATOM 0 HB3 TRP A 96 10.306 -8.828 -2.380 1.00 0.00 H new ATOM 0 HD1 TRP A 96 13.022 -8.122 -1.047 1.00 0.00 H new ATOM 0 HE1 TRP A 96 15.022 -7.395 -2.450 1.00 0.00 H new ATOM 0 HE3 TRP A 96 11.529 -10.059 -5.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 15.850 -7.620 -5.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 12.976 -9.747 -7.462 1.00 0.00 H new ATOM 0 HH2 TRP A 96 15.114 -8.552 -7.276 1.00 0.00 H new ATOM 1471 N ASP A 97 8.832 -10.081 -0.734 1.00 0.00 N ATOM 1472 CA ASP A 97 7.410 -10.462 -0.650 1.00 0.00 C ATOM 1473 C ASP A 97 6.962 -11.037 0.707 1.00 0.00 C ATOM 1474 O ASP A 97 5.840 -10.832 1.110 1.00 0.00 O ATOM 1475 CB ASP A 97 6.958 -11.378 -1.817 1.00 0.00 C ATOM 1476 CG ASP A 97 6.883 -10.696 -3.173 1.00 0.00 C ATOM 1477 OD1 ASP A 97 7.128 -9.498 -3.271 1.00 0.00 O ATOM 1478 OD2 ASP A 97 6.610 -11.399 -4.194 1.00 0.00 O ATOM 0 H ASP A 97 8.988 -9.075 -0.664 1.00 0.00 H new ATOM 0 HA ASP A 97 6.893 -9.507 -0.747 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.647 -12.219 -1.887 1.00 0.00 H new ATOM 0 HB3 ASP A 97 5.977 -11.789 -1.578 1.00 0.00 H new ATOM 1483 N PHE A 98 7.802 -11.786 1.384 1.00 0.00 N ATOM 1484 CA PHE A 98 7.406 -12.332 2.682 1.00 0.00 C ATOM 1485 C PHE A 98 7.522 -11.318 3.848 1.00 0.00 C ATOM 1486 O PHE A 98 6.517 -10.954 4.456 1.00 0.00 O ATOM 1487 CB PHE A 98 8.087 -13.682 2.985 1.00 0.00 C ATOM 1488 CG PHE A 98 7.648 -14.310 4.287 1.00 0.00 C ATOM 1489 CD1 PHE A 98 6.297 -14.608 4.521 1.00 0.00 C ATOM 1490 CD2 PHE A 98 8.570 -14.595 5.281 1.00 0.00 C ATOM 1491 CE1 PHE A 98 5.897 -15.181 5.718 1.00 0.00 C ATOM 1492 CE2 PHE A 98 8.169 -15.167 6.476 1.00 0.00 C ATOM 1493 CZ PHE A 98 6.832 -15.461 6.694 1.00 0.00 C ATOM 0 H PHE A 98 8.743 -12.032 1.076 1.00 0.00 H new ATOM 0 HA PHE A 98 6.339 -12.538 2.599 1.00 0.00 H new ATOM 0 HB2 PHE A 98 7.877 -14.375 2.170 1.00 0.00 H new ATOM 0 HB3 PHE A 98 9.167 -13.536 3.009 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.562 -14.389 3.761 1.00 0.00 H new ATOM 0 HD2 PHE A 98 9.614 -14.368 5.122 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.855 -15.408 5.887 1.00 0.00 H new ATOM 0 HE2 PHE A 98 8.900 -15.385 7.241 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.522 -15.909 7.627 1.00 0.00 H new ATOM 1503 N ASP A 99 8.750 -10.918 4.189 1.00 0.00 N ATOM 1504 CA ASP A 99 9.001 -9.947 5.293 1.00 0.00 C ATOM 1505 C ASP A 99 8.702 -8.517 4.849 1.00 0.00 C ATOM 1506 O ASP A 99 7.943 -7.795 5.485 1.00 0.00 O ATOM 1507 CB ASP A 99 10.498 -10.040 5.686 1.00 0.00 C ATOM 1508 CG ASP A 99 10.955 -9.159 6.859 1.00 0.00 C ATOM 1509 OD1 ASP A 99 10.941 -7.931 6.764 1.00 0.00 O ATOM 1510 OD2 ASP A 99 11.391 -9.718 7.896 1.00 0.00 O ATOM 0 H ASP A 99 9.597 -11.244 3.724 1.00 0.00 H new ATOM 0 HA ASP A 99 8.351 -10.191 6.133 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.722 -11.078 5.931 1.00 0.00 H new ATOM 0 HB3 ASP A 99 11.097 -9.782 4.812 1.00 0.00 H new ATOM 1515 N MET A 100 9.311 -8.140 3.730 1.00 0.00 N ATOM 1516 CA MET A 100 9.271 -6.769 3.204 1.00 0.00 C ATOM 1517 C MET A 100 7.874 -6.338 2.798 1.00 0.00 C ATOM 1518 O MET A 100 7.400 -5.259 3.180 1.00 0.00 O ATOM 1519 CB MET A 100 10.235 -6.638 2.040 1.00 0.00 C ATOM 1520 CG MET A 100 11.684 -6.873 2.416 1.00 0.00 C ATOM 1521 SD MET A 100 12.757 -6.868 0.984 1.00 0.00 S ATOM 1522 CE MET A 100 14.360 -7.065 1.763 1.00 0.00 C ATOM 0 H MET A 100 9.854 -8.781 3.152 1.00 0.00 H new ATOM 0 HA MET A 100 9.578 -6.100 4.008 1.00 0.00 H new ATOM 0 HB2 MET A 100 9.951 -7.348 1.264 1.00 0.00 H new ATOM 0 HB3 MET A 100 10.138 -5.641 1.611 1.00 0.00 H new ATOM 0 HG2 MET A 100 12.007 -6.101 3.114 1.00 0.00 H new ATOM 0 HG3 MET A 100 11.774 -7.828 2.933 1.00 0.00 H new ATOM 0 HE1 MET A 100 15.137 -7.080 0.998 1.00 0.00 H new ATOM 0 HE2 MET A 100 14.538 -6.233 2.444 1.00 0.00 H new ATOM 0 HE3 MET A 100 14.381 -8.001 2.320 1.00 0.00 H new ATOM 1532 N LEU A 101 7.232 -7.160 2.034 1.00 0.00 N ATOM 1533 CA LEU A 101 5.860 -6.951 1.659 1.00 0.00 C ATOM 1534 C LEU A 101 5.063 -7.435 2.823 1.00 0.00 C ATOM 1535 O LEU A 101 5.340 -8.527 3.297 1.00 0.00 O ATOM 1536 CB LEU A 101 5.543 -7.837 0.452 1.00 0.00 C ATOM 1537 CG LEU A 101 4.072 -7.999 0.010 1.00 0.00 C ATOM 1538 CD1 LEU A 101 3.522 -6.738 -0.591 1.00 0.00 C ATOM 1539 CD2 LEU A 101 3.952 -9.145 -0.981 1.00 0.00 C ATOM 0 H LEU A 101 7.645 -8.008 1.645 1.00 0.00 H new ATOM 0 HA LEU A 101 5.649 -5.911 1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.102 -7.447 -0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.935 -8.832 0.662 1.00 0.00 H new ATOM 0 HG LEU A 101 3.483 -8.221 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.485 -6.898 -0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.569 -5.934 0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.111 -6.465 -1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.912 -9.253 -1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.569 -8.936 -1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.290 -10.069 -0.511 1.00 0.00 H new ATOM 1551 N THR A 102 4.168 -6.594 3.351 1.00 0.00 N ATOM 1552 CA THR A 102 3.285 -7.015 4.430 1.00 0.00 C ATOM 1553 C THR A 102 3.946 -6.854 5.836 1.00 0.00 C ATOM 1554 O THR A 102 5.151 -6.671 5.962 1.00 0.00 O ATOM 1555 CB THR A 102 2.743 -8.480 4.138 1.00 0.00 C ATOM 1556 OG1 THR A 102 1.622 -8.437 3.260 1.00 0.00 O ATOM 1557 CG2 THR A 102 2.430 -9.304 5.357 1.00 0.00 C ATOM 0 H THR A 102 4.040 -5.628 3.049 1.00 0.00 H new ATOM 0 HA THR A 102 2.422 -6.350 4.461 1.00 0.00 H new ATOM 0 HB THR A 102 3.575 -8.994 3.657 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.066 -7.660 3.478 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.068 -10.285 5.050 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.332 -9.422 5.958 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.663 -8.803 5.948 1.00 0.00 H new ATOM 1661 N ASP A 111 12.742 0.708 5.473 1.00 0.00 N ATOM 1662 CA ASP A 111 13.988 0.266 4.857 1.00 0.00 C ATOM 1663 C ASP A 111 13.757 -0.421 3.517 1.00 0.00 C ATOM 1664 O ASP A 111 14.381 -0.041 2.503 1.00 0.00 O ATOM 1665 CB ASP A 111 14.755 -0.652 5.815 1.00 0.00 C ATOM 1666 CG ASP A 111 16.150 -0.983 5.331 1.00 0.00 C ATOM 1667 OD1 ASP A 111 16.326 -1.974 4.636 1.00 0.00 O ATOM 1668 OD2 ASP A 111 17.110 -0.242 5.677 1.00 0.00 O ATOM 0 HA ASP A 111 14.589 1.153 4.658 1.00 0.00 H new ATOM 0 HB2 ASP A 111 14.820 -0.174 6.793 1.00 0.00 H new ATOM 0 HB3 ASP A 111 14.194 -1.577 5.949 1.00 0.00 H new ATOM 1673 N ALA A 112 12.812 -1.366 3.481 1.00 0.00 N ATOM 1674 CA ALA A 112 12.513 -2.146 2.263 1.00 0.00 C ATOM 1675 C ALA A 112 12.078 -1.254 1.113 1.00 0.00 C ATOM 1676 O ALA A 112 12.428 -1.494 -0.043 1.00 0.00 O ATOM 1677 CB ALA A 112 11.449 -3.190 2.541 1.00 0.00 C ATOM 0 H ALA A 112 12.234 -1.615 4.284 1.00 0.00 H new ATOM 0 HA ALA A 112 13.435 -2.647 1.968 1.00 0.00 H new ATOM 0 HB1 ALA A 112 11.245 -3.753 1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 112 11.801 -3.870 3.317 1.00 0.00 H new ATOM 0 HB3 ALA A 112 10.536 -2.698 2.876 1.00 0.00 H new ATOM 1683 N GLN A 113 11.344 -0.217 1.431 1.00 0.00 N ATOM 1684 CA GLN A 113 10.904 0.703 0.425 1.00 0.00 C ATOM 1685 C GLN A 113 11.983 1.687 0.062 1.00 0.00 C ATOM 1686 O GLN A 113 12.043 2.134 -1.067 1.00 0.00 O ATOM 1687 CB GLN A 113 9.643 1.424 0.825 1.00 0.00 C ATOM 1688 CG GLN A 113 8.410 1.005 0.038 1.00 0.00 C ATOM 1689 CD GLN A 113 8.334 1.631 -1.363 1.00 0.00 C ATOM 1690 OE1 GLN A 113 7.255 1.855 -1.888 1.00 0.00 O ATOM 1691 NE2 GLN A 113 9.466 1.937 -1.967 1.00 0.00 N ATOM 0 H GLN A 113 11.041 0.007 2.379 1.00 0.00 H new ATOM 0 HA GLN A 113 10.676 0.107 -0.459 1.00 0.00 H new ATOM 0 HB2 GLN A 113 9.460 1.251 1.885 1.00 0.00 H new ATOM 0 HB3 GLN A 113 9.795 2.496 0.698 1.00 0.00 H new ATOM 0 HG2 GLN A 113 8.401 -0.081 -0.057 1.00 0.00 H new ATOM 0 HG3 GLN A 113 7.518 1.283 0.600 1.00 0.00 H new ATOM 0 HE21 GLN A 113 10.357 1.741 -1.510 1.00 0.00 H new ATOM 0 HE22 GLN A 113 9.451 2.369 -2.891 1.00 0.00 H new ATOM 1700 N MET A 114 12.804 2.039 1.014 1.00 0.00 N ATOM 1701 CA MET A 114 13.931 2.929 0.786 1.00 0.00 C ATOM 1702 C MET A 114 14.794 2.480 -0.396 1.00 0.00 C ATOM 1703 O MET A 114 15.068 3.249 -1.302 1.00 0.00 O ATOM 1704 CB MET A 114 14.768 3.026 2.065 1.00 0.00 C ATOM 1705 CG MET A 114 16.205 3.455 1.853 1.00 0.00 C ATOM 1706 SD MET A 114 17.128 3.658 3.398 1.00 0.00 S ATOM 1707 CE MET A 114 16.213 4.997 4.194 1.00 0.00 C ATOM 0 H MET A 114 12.717 1.719 1.979 1.00 0.00 H new ATOM 0 HA MET A 114 13.539 3.913 0.529 1.00 0.00 H new ATOM 0 HB2 MET A 114 14.289 3.732 2.743 1.00 0.00 H new ATOM 0 HB3 MET A 114 14.763 2.055 2.560 1.00 0.00 H new ATOM 0 HG2 MET A 114 16.710 2.716 1.231 1.00 0.00 H new ATOM 0 HG3 MET A 114 16.219 4.396 1.304 1.00 0.00 H new ATOM 0 HE1 MET A 114 16.840 5.466 4.952 1.00 0.00 H new ATOM 0 HE2 MET A 114 15.930 5.739 3.447 1.00 0.00 H new ATOM 0 HE3 MET A 114 15.315 4.595 4.664 1.00 0.00 H new ATOM 1717 N GLN A 115 15.194 1.246 -0.378 1.00 0.00 N ATOM 1718 CA GLN A 115 16.007 0.709 -1.451 1.00 0.00 C ATOM 1719 C GLN A 115 15.203 -0.269 -2.299 1.00 0.00 C ATOM 1720 O GLN A 115 15.697 -1.311 -2.706 1.00 0.00 O ATOM 1721 CB GLN A 115 17.392 0.158 -0.960 1.00 0.00 C ATOM 1722 CG GLN A 115 17.397 -0.732 0.295 1.00 0.00 C ATOM 1723 CD GLN A 115 16.493 -1.914 0.190 1.00 0.00 C ATOM 1724 OE1 GLN A 115 15.320 -1.750 0.681 1.00 0.00 O flip ATOM 1725 NE2 GLN A 115 16.880 -2.978 -0.273 1.00 0.00 N flip ATOM 0 H GLN A 115 14.976 0.582 0.365 1.00 0.00 H new ATOM 0 HA GLN A 115 16.280 1.534 -2.109 1.00 0.00 H new ATOM 0 HB2 GLN A 115 17.837 -0.410 -1.777 1.00 0.00 H new ATOM 0 HB3 GLN A 115 18.045 1.010 -0.771 1.00 0.00 H new ATOM 0 HG2 GLN A 115 18.414 -1.078 0.482 1.00 0.00 H new ATOM 0 HG3 GLN A 115 17.101 -0.133 1.156 1.00 0.00 H new ATOM 0 HE21 GLN A 115 17.824 -3.056 -0.652 1.00 0.00 H new ATOM 0 HE22 GLN A 115 16.259 -3.787 -0.280 1.00 0.00 H new ATOM 1734 N TYR A 116 13.968 0.146 -2.592 1.00 0.00 N ATOM 1735 CA TYR A 116 12.967 -0.597 -3.314 1.00 0.00 C ATOM 1736 C TYR A 116 13.547 -1.299 -4.550 1.00 0.00 C ATOM 1737 O TYR A 116 14.026 -0.657 -5.495 1.00 0.00 O ATOM 1738 CB TYR A 116 11.819 0.376 -3.738 1.00 0.00 C ATOM 1739 CG TYR A 116 12.258 1.557 -4.622 1.00 0.00 C ATOM 1740 CD1 TYR A 116 12.907 2.659 -4.075 1.00 0.00 C ATOM 1741 CD2 TYR A 116 12.043 1.552 -5.997 1.00 0.00 C ATOM 1742 CE1 TYR A 116 13.339 3.698 -4.858 1.00 0.00 C ATOM 1743 CE2 TYR A 116 12.469 2.601 -6.791 1.00 0.00 C ATOM 1744 CZ TYR A 116 13.118 3.668 -6.215 1.00 0.00 C ATOM 1745 OH TYR A 116 13.576 4.699 -7.006 1.00 0.00 O ATOM 0 H TYR A 116 13.634 1.067 -2.308 1.00 0.00 H new ATOM 0 HA TYR A 116 12.580 -1.375 -2.656 1.00 0.00 H new ATOM 0 HB2 TYR A 116 11.059 -0.194 -4.272 1.00 0.00 H new ATOM 0 HB3 TYR A 116 11.348 0.771 -2.838 1.00 0.00 H new ATOM 0 HD1 TYR A 116 13.074 2.697 -3.009 1.00 0.00 H new ATOM 0 HD2 TYR A 116 11.535 0.715 -6.452 1.00 0.00 H new ATOM 0 HE1 TYR A 116 13.851 4.537 -4.411 1.00 0.00 H new ATOM 0 HE2 TYR A 116 12.293 2.582 -7.856 1.00 0.00 H new ATOM 0 HH TYR A 116 12.990 5.477 -6.901 1.00 0.00 H new ATOM 1755 N ASP A 117 13.595 -2.586 -4.511 1.00 0.00 N ATOM 1756 CA ASP A 117 14.018 -3.325 -5.670 1.00 0.00 C ATOM 1757 C ASP A 117 12.901 -3.334 -6.686 1.00 0.00 C ATOM 1758 O ASP A 117 11.724 -3.370 -6.295 1.00 0.00 O ATOM 1759 CB ASP A 117 14.473 -4.739 -5.314 1.00 0.00 C ATOM 1760 CG ASP A 117 15.851 -4.755 -4.694 1.00 0.00 C ATOM 1761 OD1 ASP A 117 16.842 -4.620 -5.437 1.00 0.00 O ATOM 1762 OD2 ASP A 117 15.978 -4.895 -3.470 1.00 0.00 O ATOM 0 H ASP A 117 13.350 -3.153 -3.700 1.00 0.00 H new ATOM 0 HA ASP A 117 14.888 -2.831 -6.103 1.00 0.00 H new ATOM 0 HB2 ASP A 117 13.759 -5.185 -4.621 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.473 -5.356 -6.213 1.00 0.00 H new ATOM 1767 N PRO A 118 13.238 -3.249 -7.989 1.00 0.00 N ATOM 1768 CA PRO A 118 12.260 -3.217 -9.100 1.00 0.00 C ATOM 1769 C PRO A 118 11.130 -4.251 -8.983 1.00 0.00 C ATOM 1770 O PRO A 118 9.964 -3.936 -9.238 1.00 0.00 O ATOM 1771 CB PRO A 118 13.121 -3.521 -10.327 1.00 0.00 C ATOM 1772 CG PRO A 118 14.465 -2.982 -9.987 1.00 0.00 C ATOM 1773 CD PRO A 118 14.625 -3.141 -8.500 1.00 0.00 C ATOM 0 HA PRO A 118 11.738 -2.261 -9.126 1.00 0.00 H new ATOM 0 HB2 PRO A 118 13.162 -4.592 -10.526 1.00 0.00 H new ATOM 0 HB3 PRO A 118 12.718 -3.046 -11.221 1.00 0.00 H new ATOM 0 HG2 PRO A 118 15.246 -3.523 -10.521 1.00 0.00 H new ATOM 0 HG3 PRO A 118 14.547 -1.934 -10.276 1.00 0.00 H new ATOM 0 HD2 PRO A 118 15.209 -4.029 -8.256 1.00 0.00 H new ATOM 0 HD3 PRO A 118 15.144 -2.288 -8.063 1.00 0.00 H new ATOM 1781 N GLY A 119 11.446 -5.432 -8.481 1.00 0.00 N ATOM 1782 CA GLY A 119 10.472 -6.490 -8.443 1.00 0.00 C ATOM 1783 C GLY A 119 9.650 -6.373 -7.189 1.00 0.00 C ATOM 1784 O GLY A 119 8.429 -6.547 -7.206 1.00 0.00 O ATOM 0 H GLY A 119 12.361 -5.674 -8.100 1.00 0.00 H new ATOM 0 HA2 GLY A 119 9.826 -6.436 -9.320 1.00 0.00 H new ATOM 0 HA3 GLY A 119 10.971 -7.459 -8.474 1.00 0.00 H new ATOM 1788 N LEU A 120 10.347 -6.087 -6.091 1.00 0.00 N ATOM 1789 CA LEU A 120 9.769 -5.838 -4.769 1.00 0.00 C ATOM 1790 C LEU A 120 8.735 -4.712 -4.841 1.00 0.00 C ATOM 1791 O LEU A 120 7.571 -4.931 -4.514 1.00 0.00 O ATOM 1792 CB LEU A 120 10.910 -5.482 -3.788 1.00 0.00 C ATOM 1793 CG LEU A 120 10.530 -5.011 -2.374 1.00 0.00 C ATOM 1794 CD1 LEU A 120 9.759 -6.079 -1.610 1.00 0.00 C ATOM 1795 CD2 LEU A 120 11.786 -4.624 -1.613 1.00 0.00 C ATOM 0 H LEU A 120 11.365 -6.020 -6.096 1.00 0.00 H new ATOM 0 HA LEU A 120 9.256 -6.732 -4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 120 11.548 -6.360 -3.687 1.00 0.00 H new ATOM 0 HB3 LEU A 120 11.514 -4.700 -4.249 1.00 0.00 H new ATOM 0 HG LEU A 120 9.876 -4.144 -2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.510 -5.707 -0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 120 8.842 -6.321 -2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 120 10.373 -6.975 -1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 120 11.516 -4.290 -0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 120 12.449 -5.487 -1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 120 12.296 -3.817 -2.139 1.00 0.00 H new ATOM 1807 N PHE A 121 9.156 -3.524 -5.314 1.00 0.00 N ATOM 1808 CA PHE A 121 8.240 -2.390 -5.465 1.00 0.00 C ATOM 1809 C PHE A 121 7.037 -2.751 -6.357 1.00 0.00 C ATOM 1810 O PHE A 121 5.877 -2.463 -6.018 1.00 0.00 O ATOM 1811 CB PHE A 121 8.948 -1.170 -6.050 1.00 0.00 C ATOM 1812 CG PHE A 121 8.013 -0.006 -6.215 1.00 0.00 C ATOM 1813 CD1 PHE A 121 7.383 0.554 -5.121 1.00 0.00 C ATOM 1814 CD2 PHE A 121 7.740 0.501 -7.462 1.00 0.00 C ATOM 1815 CE1 PHE A 121 6.496 1.594 -5.273 1.00 0.00 C ATOM 1816 CE2 PHE A 121 6.860 1.549 -7.621 1.00 0.00 C ATOM 1817 CZ PHE A 121 6.233 2.097 -6.526 1.00 0.00 C ATOM 0 H PHE A 121 10.117 -3.330 -5.595 1.00 0.00 H new ATOM 0 HA PHE A 121 7.882 -2.146 -4.465 1.00 0.00 H new ATOM 0 HB2 PHE A 121 9.774 -0.883 -5.399 1.00 0.00 H new ATOM 0 HB3 PHE A 121 9.379 -1.429 -7.017 1.00 0.00 H new ATOM 0 HD1 PHE A 121 7.590 0.170 -4.133 1.00 0.00 H new ATOM 0 HD2 PHE A 121 8.221 0.073 -8.329 1.00 0.00 H new ATOM 0 HE1 PHE A 121 6.006 2.016 -4.408 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.662 1.941 -8.608 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.540 2.916 -6.649 1.00 0.00 H new ATOM 1827 N ALA A 122 7.316 -3.400 -7.472 1.00 0.00 N ATOM 1828 CA ALA A 122 6.276 -3.780 -8.404 1.00 0.00 C ATOM 1829 C ALA A 122 5.243 -4.687 -7.752 1.00 0.00 C ATOM 1830 O ALA A 122 4.031 -4.503 -7.961 1.00 0.00 O ATOM 1831 CB ALA A 122 6.876 -4.467 -9.609 1.00 0.00 C ATOM 0 H ALA A 122 8.257 -3.675 -7.753 1.00 0.00 H new ATOM 0 HA ALA A 122 5.771 -2.868 -8.722 1.00 0.00 H new ATOM 0 HB1 ALA A 122 6.082 -4.747 -10.301 1.00 0.00 H new ATOM 0 HB2 ALA A 122 7.569 -3.789 -10.107 1.00 0.00 H new ATOM 0 HB3 ALA A 122 7.411 -5.361 -9.289 1.00 0.00 H new ATOM 1837 N GLN A 123 5.696 -5.635 -6.940 1.00 0.00 N ATOM 1838 CA GLN A 123 4.784 -6.556 -6.363 1.00 0.00 C ATOM 1839 C GLN A 123 4.061 -5.942 -5.194 1.00 0.00 C ATOM 1840 O GLN A 123 2.872 -6.157 -5.049 1.00 0.00 O ATOM 1841 CB GLN A 123 5.454 -7.860 -5.974 1.00 0.00 C ATOM 1842 CG GLN A 123 4.465 -8.939 -5.558 1.00 0.00 C ATOM 1843 CD GLN A 123 3.467 -9.316 -6.659 1.00 0.00 C ATOM 1844 OE1 GLN A 123 2.321 -9.691 -6.372 1.00 0.00 O ATOM 1845 NE2 GLN A 123 3.882 -9.250 -7.917 1.00 0.00 N ATOM 0 H GLN A 123 6.674 -5.768 -6.683 1.00 0.00 H new ATOM 0 HA GLN A 123 4.046 -6.797 -7.128 1.00 0.00 H new ATOM 0 HB2 GLN A 123 6.045 -8.222 -6.815 1.00 0.00 H new ATOM 0 HB3 GLN A 123 6.147 -7.675 -5.153 1.00 0.00 H new ATOM 0 HG2 GLN A 123 5.017 -9.830 -5.259 1.00 0.00 H new ATOM 0 HG3 GLN A 123 3.914 -8.597 -4.682 1.00 0.00 H new ATOM 0 HE21 GLN A 123 4.830 -8.938 -8.125 1.00 0.00 H new ATOM 0 HE22 GLN A 123 3.253 -9.511 -8.676 1.00 0.00 H new ATOM 1854 N ILE A 124 4.752 -5.138 -4.377 1.00 0.00 N ATOM 1855 CA ILE A 124 4.088 -4.500 -3.247 1.00 0.00 C ATOM 1856 C ILE A 124 2.953 -3.599 -3.722 1.00 0.00 C ATOM 1857 O ILE A 124 1.870 -3.611 -3.144 1.00 0.00 O ATOM 1858 CB ILE A 124 5.047 -3.725 -2.248 1.00 0.00 C ATOM 1859 CG1 ILE A 124 5.753 -2.561 -2.909 1.00 0.00 C ATOM 1860 CG2 ILE A 124 6.086 -4.657 -1.648 1.00 0.00 C ATOM 1861 CD1 ILE A 124 6.488 -1.657 -1.935 1.00 0.00 C ATOM 0 H ILE A 124 5.744 -4.921 -4.476 1.00 0.00 H new ATOM 0 HA ILE A 124 3.683 -5.324 -2.660 1.00 0.00 H new ATOM 0 HB ILE A 124 4.405 -3.334 -1.459 1.00 0.00 H new ATOM 0 HG12 ILE A 124 6.464 -2.947 -3.640 1.00 0.00 H new ATOM 0 HG13 ILE A 124 5.021 -1.969 -3.458 1.00 0.00 H new ATOM 0 HG21 ILE A 124 6.728 -4.097 -0.968 1.00 0.00 H new ATOM 0 HG22 ILE A 124 5.585 -5.455 -1.100 1.00 0.00 H new ATOM 0 HG23 ILE A 124 6.691 -5.089 -2.445 1.00 0.00 H new ATOM 0 HD11 ILE A 124 6.969 -0.846 -2.483 1.00 0.00 H new ATOM 0 HD12 ILE A 124 5.779 -1.241 -1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 124 7.244 -2.234 -1.403 1.00 0.00 H new ATOM 1873 N GLN A 125 3.174 -2.892 -4.818 1.00 0.00 N ATOM 1874 CA GLN A 125 2.163 -2.007 -5.341 1.00 0.00 C ATOM 1875 C GLN A 125 0.982 -2.812 -5.880 1.00 0.00 C ATOM 1876 O GLN A 125 -0.185 -2.586 -5.495 1.00 0.00 O ATOM 1877 CB GLN A 125 2.710 -1.151 -6.467 1.00 0.00 C ATOM 1878 CG GLN A 125 1.829 0.030 -6.700 1.00 0.00 C ATOM 1879 CD GLN A 125 2.158 0.855 -7.905 1.00 0.00 C ATOM 1880 OE1 GLN A 125 3.286 0.888 -8.376 1.00 0.00 O ATOM 1881 NE2 GLN A 125 1.188 1.588 -8.371 1.00 0.00 N ATOM 0 H GLN A 125 4.041 -2.917 -5.355 1.00 0.00 H new ATOM 0 HA GLN A 125 1.840 -1.363 -4.523 1.00 0.00 H new ATOM 0 HB2 GLN A 125 3.718 -0.817 -6.221 1.00 0.00 H new ATOM 0 HB3 GLN A 125 2.784 -1.743 -7.379 1.00 0.00 H new ATOM 0 HG2 GLN A 125 0.800 -0.319 -6.791 1.00 0.00 H new ATOM 0 HG3 GLN A 125 1.872 0.672 -5.820 1.00 0.00 H new ATOM 0 HE21 GLN A 125 0.260 1.533 -7.951 1.00 0.00 H new ATOM 0 HE22 GLN A 125 1.356 2.217 -9.156 1.00 0.00 H new ATOM 1890 N ALA A 126 1.301 -3.764 -6.743 1.00 0.00 N ATOM 1891 CA ALA A 126 0.309 -4.566 -7.421 1.00 0.00 C ATOM 1892 C ALA A 126 -0.515 -5.388 -6.458 1.00 0.00 C ATOM 1893 O ALA A 126 -1.736 -5.325 -6.493 1.00 0.00 O ATOM 1894 CB ALA A 126 0.957 -5.460 -8.464 1.00 0.00 C ATOM 0 H ALA A 126 2.262 -3.999 -6.990 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.369 -3.876 -7.923 1.00 0.00 H new ATOM 0 HB1 ALA A 126 0.190 -6.054 -8.961 1.00 0.00 H new ATOM 0 HB2 ALA A 126 1.473 -4.844 -9.201 1.00 0.00 H new ATOM 0 HB3 ALA A 126 1.673 -6.124 -7.980 1.00 0.00 H new ATOM 1900 N ALA A 127 0.148 -6.116 -5.561 1.00 0.00 N ATOM 1901 CA ALA A 127 -0.543 -6.997 -4.633 1.00 0.00 C ATOM 1902 C ALA A 127 -1.411 -6.215 -3.674 1.00 0.00 C ATOM 1903 O ALA A 127 -2.490 -6.695 -3.286 1.00 0.00 O ATOM 1904 CB ALA A 127 0.425 -7.893 -3.870 1.00 0.00 C ATOM 0 H ALA A 127 1.163 -6.110 -5.461 1.00 0.00 H new ATOM 0 HA ALA A 127 -1.188 -7.641 -5.231 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -0.133 -8.535 -3.188 1.00 0.00 H new ATOM 0 HB2 ALA A 127 0.982 -8.510 -4.575 1.00 0.00 H new ATOM 0 HB3 ALA A 127 1.120 -7.276 -3.300 1.00 0.00 H new ATOM 1910 N ALA A 128 -0.963 -5.006 -3.301 1.00 0.00 N ATOM 1911 CA ALA A 128 -1.736 -4.185 -2.411 1.00 0.00 C ATOM 1912 C ALA A 128 -3.063 -3.838 -3.039 1.00 0.00 C ATOM 1913 O ALA A 128 -4.047 -4.312 -2.599 1.00 0.00 O ATOM 1914 CB ALA A 128 -0.992 -2.911 -2.022 1.00 0.00 C ATOM 0 H ALA A 128 -0.080 -4.597 -3.607 1.00 0.00 H new ATOM 0 HA ALA A 128 -1.906 -4.760 -1.501 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.612 -2.319 -1.348 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -0.060 -3.173 -1.522 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.772 -2.330 -2.918 1.00 0.00 H new ATOM 1920 N THR A 129 -3.073 -3.121 -4.134 1.00 0.00 N ATOM 1921 CA THR A 129 -4.371 -2.719 -4.725 1.00 0.00 C ATOM 1922 C THR A 129 -5.216 -3.932 -5.216 1.00 0.00 C ATOM 1923 O THR A 129 -6.496 -3.892 -5.210 1.00 0.00 O ATOM 1924 CB THR A 129 -4.229 -1.615 -5.817 1.00 0.00 C ATOM 1925 OG1 THR A 129 -5.512 -1.267 -6.364 1.00 0.00 O ATOM 1926 CG2 THR A 129 -3.281 -2.034 -6.929 1.00 0.00 C ATOM 0 H THR A 129 -2.244 -2.802 -4.635 1.00 0.00 H new ATOM 0 HA THR A 129 -4.933 -2.266 -3.908 1.00 0.00 H new ATOM 0 HB THR A 129 -3.803 -0.738 -5.330 1.00 0.00 H new ATOM 0 HG1 THR A 129 -5.620 -0.293 -6.351 1.00 0.00 H new ATOM 0 HG21 THR A 129 -3.212 -1.236 -7.668 1.00 0.00 H new ATOM 0 HG22 THR A 129 -2.293 -2.229 -6.511 1.00 0.00 H new ATOM 0 HG23 THR A 129 -3.657 -2.939 -7.406 1.00 0.00 H new ATOM 1934 N LYS A 130 -4.502 -5.031 -5.509 1.00 0.00 N ATOM 1935 CA LYS A 130 -5.088 -6.286 -6.011 1.00 0.00 C ATOM 1936 C LYS A 130 -6.021 -6.824 -4.959 1.00 0.00 C ATOM 1937 O LYS A 130 -6.996 -7.489 -5.243 1.00 0.00 O ATOM 1938 CB LYS A 130 -3.973 -7.299 -6.283 1.00 0.00 C ATOM 1939 CG LYS A 130 -4.385 -8.566 -7.003 1.00 0.00 C ATOM 1940 CD LYS A 130 -3.172 -9.466 -7.205 1.00 0.00 C ATOM 1941 CE LYS A 130 -3.500 -10.715 -8.007 1.00 0.00 C ATOM 1942 NZ LYS A 130 -3.984 -10.387 -9.368 1.00 0.00 N ATOM 0 H LYS A 130 -3.488 -5.074 -5.403 1.00 0.00 H new ATOM 0 HA LYS A 130 -5.633 -6.106 -6.938 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -3.198 -6.807 -6.871 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -3.522 -7.577 -5.330 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -5.146 -9.091 -6.426 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -4.830 -8.319 -7.967 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -2.389 -8.906 -7.716 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -2.774 -9.757 -6.233 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -2.612 -11.343 -8.079 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -4.259 -11.295 -7.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -3.971 -11.244 -9.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -4.956 -10.020 -9.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -3.366 -9.666 -9.792 1.00 0.00 H new ATOM 1956 N ALA A 131 -5.646 -6.573 -3.746 1.00 0.00 N ATOM 1957 CA ALA A 131 -6.419 -6.802 -2.580 1.00 0.00 C ATOM 1958 C ALA A 131 -7.350 -5.619 -2.366 1.00 0.00 C ATOM 1959 O ALA A 131 -8.576 -5.777 -2.432 1.00 0.00 O ATOM 1960 CB ALA A 131 -5.426 -6.934 -1.470 1.00 0.00 C ATOM 0 H ALA A 131 -4.730 -6.176 -3.536 1.00 0.00 H new ATOM 0 HA ALA A 131 -7.044 -7.693 -2.643 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -5.951 -7.113 -0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -4.757 -7.770 -1.677 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.845 -6.015 -1.391 1.00 0.00 H new ATOM 1966 N TRP A 132 -6.755 -4.420 -2.270 1.00 0.00 N ATOM 1967 CA TRP A 132 -7.410 -3.151 -1.895 1.00 0.00 C ATOM 1968 C TRP A 132 -8.405 -2.597 -2.947 1.00 0.00 C ATOM 1969 O TRP A 132 -8.564 -1.389 -3.095 1.00 0.00 O ATOM 1970 CB TRP A 132 -6.420 -2.032 -1.471 1.00 0.00 C ATOM 1971 CG TRP A 132 -5.523 -2.401 -0.337 1.00 0.00 C ATOM 1972 CD1 TRP A 132 -5.077 -3.617 -0.087 1.00 0.00 C ATOM 1973 CD2 TRP A 132 -4.973 -1.571 0.695 1.00 0.00 C ATOM 1974 NE1 TRP A 132 -4.202 -3.631 0.890 1.00 0.00 N ATOM 1975 CE2 TRP A 132 -4.119 -2.405 1.429 1.00 0.00 C ATOM 1976 CE3 TRP A 132 -5.066 -0.215 1.074 1.00 0.00 C ATOM 1977 CZ2 TRP A 132 -3.373 -1.956 2.472 1.00 0.00 C ATOM 1978 CZ3 TRP A 132 -4.329 0.197 2.121 1.00 0.00 C ATOM 1979 CH2 TRP A 132 -3.492 -0.669 2.794 1.00 0.00 C ATOM 0 H TRP A 132 -5.760 -4.300 -2.459 1.00 0.00 H new ATOM 0 HA TRP A 132 -7.993 -3.441 -1.020 1.00 0.00 H new ATOM 0 HB2 TRP A 132 -5.807 -1.761 -2.330 1.00 0.00 H new ATOM 0 HB3 TRP A 132 -6.990 -1.145 -1.194 1.00 0.00 H new ATOM 0 HD1 TRP A 132 -5.395 -4.498 -0.624 1.00 0.00 H new ATOM 0 HE1 TRP A 132 -3.668 -4.446 1.193 1.00 0.00 H new ATOM 0 HE3 TRP A 132 -5.708 0.470 0.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 -2.712 -2.614 3.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 -4.394 1.226 2.441 1.00 0.00 H new ATOM 0 HH2 TRP A 132 -2.908 -0.287 3.618 1.00 0.00 H new ATOM 1990 N ARG A 133 -8.994 -3.449 -3.710 1.00 0.00 N ATOM 1991 CA ARG A 133 -10.143 -3.050 -4.527 1.00 0.00 C ATOM 1992 C ARG A 133 -11.527 -3.709 -4.182 1.00 0.00 C ATOM 1993 O ARG A 133 -12.504 -3.003 -3.940 1.00 0.00 O ATOM 1994 CB ARG A 133 -9.839 -3.076 -6.050 1.00 0.00 C ATOM 1995 CG ARG A 133 -11.063 -2.833 -6.967 1.00 0.00 C ATOM 1996 CD ARG A 133 -11.894 -4.085 -7.140 1.00 0.00 C ATOM 1997 NE ARG A 133 -13.339 -3.838 -7.384 1.00 0.00 N ATOM 1998 CZ ARG A 133 -14.059 -4.533 -8.279 1.00 0.00 C ATOM 1999 NH1 ARG A 133 -13.445 -5.221 -9.224 1.00 0.00 N ATOM 2000 NH2 ARG A 133 -15.378 -4.497 -8.253 1.00 0.00 N ATOM 0 H ARG A 133 -8.720 -4.427 -3.803 1.00 0.00 H new ATOM 0 HA ARG A 133 -10.288 -2.012 -4.229 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -9.085 -2.319 -6.268 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -9.402 -4.042 -6.301 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -11.682 -2.042 -6.544 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -10.723 -2.485 -7.942 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -11.491 -4.661 -7.973 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -11.790 -4.701 -6.247 1.00 0.00 H new ATOM 0 HE ARG A 133 -13.805 -3.107 -6.847 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -12.426 -5.224 -9.273 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -13.990 -5.750 -9.905 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -15.859 -3.938 -7.549 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -15.916 -5.028 -8.937 1.00 0.00 H new ATOM 2014 N LYS A 134 -11.571 -5.044 -4.173 1.00 0.00 N ATOM 2015 CA LYS A 134 -12.852 -5.853 -4.319 1.00 0.00 C ATOM 2016 C LYS A 134 -14.079 -5.790 -3.428 1.00 0.00 C ATOM 2017 O LYS A 134 -14.651 -6.825 -3.085 1.00 0.00 O ATOM 2018 CB LYS A 134 -12.833 -7.056 -5.227 1.00 0.00 C ATOM 2019 CG LYS A 134 -11.526 -7.679 -5.383 1.00 0.00 C ATOM 2020 CD LYS A 134 -11.050 -8.255 -4.104 1.00 0.00 C ATOM 2021 CE LYS A 134 -9.599 -8.330 -4.164 1.00 0.00 C ATOM 2022 NZ LYS A 134 -9.118 -9.248 -5.235 1.00 0.00 N ATOM 0 H LYS A 134 -10.738 -5.623 -4.066 1.00 0.00 H new ATOM 0 HA LYS A 134 -13.057 -4.845 -4.680 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -13.530 -7.798 -4.839 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -13.198 -6.758 -6.210 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -11.582 -8.462 -6.139 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -10.809 -6.941 -5.741 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -11.366 -7.636 -3.265 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -11.478 -9.245 -3.948 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -9.194 -7.333 -4.336 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -9.216 -8.668 -3.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -8.353 -8.788 -5.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -8.762 -10.126 -4.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -9.903 -9.471 -5.879 1.00 0.00 H new ATOM 2036 N LEU A 135 -14.464 -4.649 -3.050 1.00 0.00 N ATOM 2037 CA LEU A 135 -15.655 -4.463 -2.236 1.00 0.00 C ATOM 2038 C LEU A 135 -16.933 -4.418 -3.107 1.00 0.00 C ATOM 2039 O LEU A 135 -16.858 -4.603 -4.329 1.00 0.00 O ATOM 2040 CB LEU A 135 -15.488 -3.170 -1.487 1.00 0.00 C ATOM 2041 CG LEU A 135 -14.828 -3.230 -0.124 1.00 0.00 C ATOM 2042 CD1 LEU A 135 -13.651 -4.157 -0.106 1.00 0.00 C ATOM 2043 CD2 LEU A 135 -14.367 -1.878 0.214 1.00 0.00 C ATOM 0 H LEU A 135 -13.978 -3.783 -3.282 1.00 0.00 H new ATOM 0 HA LEU A 135 -15.769 -5.301 -1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -14.907 -2.492 -2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -16.475 -2.723 -1.363 1.00 0.00 H new ATOM 0 HG LEU A 135 -15.556 -3.605 0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -13.211 -4.167 0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -13.976 -5.163 -0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -12.908 -3.816 -0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -13.887 -1.891 1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -13.653 -1.539 -0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -15.219 -1.198 0.237 1.00 0.00 H new ATOM 2055 N PRO A 136 -18.139 -4.290 -2.474 1.00 0.00 N ATOM 2056 CA PRO A 136 -19.415 -4.074 -3.197 1.00 0.00 C ATOM 2057 C PRO A 136 -19.468 -2.680 -3.904 1.00 0.00 C ATOM 2058 O PRO A 136 -18.496 -2.220 -4.488 1.00 0.00 O ATOM 2059 CB PRO A 136 -20.464 -4.133 -2.053 1.00 0.00 C ATOM 2060 CG PRO A 136 -19.805 -4.877 -0.962 1.00 0.00 C ATOM 2061 CD PRO A 136 -18.380 -4.456 -1.016 1.00 0.00 C ATOM 0 HA PRO A 136 -19.571 -4.803 -3.992 1.00 0.00 H new ATOM 0 HB2 PRO A 136 -20.751 -3.132 -1.730 1.00 0.00 H new ATOM 0 HB3 PRO A 136 -21.374 -4.636 -2.379 1.00 0.00 H new ATOM 0 HG2 PRO A 136 -20.251 -4.639 0.004 1.00 0.00 H new ATOM 0 HG3 PRO A 136 -19.904 -5.953 -1.102 1.00 0.00 H new ATOM 0 HD2 PRO A 136 -18.212 -3.528 -0.470 1.00 0.00 H new ATOM 0 HD3 PRO A 136 -17.720 -5.206 -0.580 1.00 0.00 H new