USER MOD reduce.3.24.130724 H: found=0, std=0, add=870, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 872 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: B 25 SER OG : rot 180:sc= -2.01! USER MOD Set 1.2: B 43 THR OG1 : rot -160:sc= -4.87! USER MOD Set 2.1: A 27 SER OG : rot -36:sc= 2.27 USER MOD Set 2.2: B 27 SER OG : rot 78:sc= 0.284 USER MOD Set 3.1: A 25 SER OG : rot -170:sc= -1.97! USER MOD Set 3.2: A 43 THR OG1 : rot -150:sc= -4.84! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 158:sc= -0.065 (180deg=-0.95) USER MOD Single : A 22 ASN : amide:sc= -6.61! C(o=-6.6!,f=-11!) USER MOD Single : A 24 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.03) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 28:sc= 0.837 USER MOD Single : A 45 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00211) USER MOD Single : A 48 GLN : amide:sc= -0.451 K(o=-0.45,f=-1.5) USER MOD Single : A 49 LYS NZ :NH3+ 147:sc= -0.236 (180deg=-1.61) USER MOD Single : A 51 CYS SG : rot -116:sc= -1.79 USER MOD Single : A 60 GLN : amide:sc= -5.42! C(o=-5.4!,f=-6.4!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -2.09! C(o=-2.1!,f=-3.7!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 21 LYS NZ :NH3+ 159:sc= -0.0653 (180deg=-1.01) USER MOD Single : B 22 ASN : amide:sc= -6.7! C(o=-6.7!,f=-11!) USER MOD Single : B 24 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.047) USER MOD Single : B 29 THR OG1 : rot 180:sc= 0 USER MOD Single : B 38 THR OG1 : rot -13:sc= 0.837 USER MOD Single : B 45 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00215) USER MOD Single : B 48 GLN : amide:sc= -0.39 K(o=-0.39,f=-1.3) USER MOD Single : B 49 LYS NZ :NH3+ -92:sc= -0.266 (180deg=-1.63!) USER MOD Single : B 51 CYS SG : rot -114:sc= -1.76 USER MOD Single : B 60 GLN : amide:sc= -5.4! C(o=-5.4!,f=-6.3!) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 GLN : amide:sc= -2.19! C(o=-2.2!,f=-3.8!) USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 177 N LYS A 13 15.396 -6.487 4.285 1.00 0.00 N ATOM 178 CA LYS A 13 15.143 -7.031 2.922 1.00 0.00 C ATOM 179 C LYS A 13 13.663 -6.881 2.560 1.00 0.00 C ATOM 180 O LYS A 13 12.846 -6.516 3.383 1.00 0.00 O ATOM 181 CB LYS A 13 15.526 -8.511 3.001 1.00 0.00 C ATOM 182 CG LYS A 13 15.296 -9.039 4.420 1.00 0.00 C ATOM 183 CD LYS A 13 16.560 -8.828 5.256 1.00 0.00 C ATOM 184 CE LYS A 13 17.578 -9.924 4.927 1.00 0.00 C ATOM 185 NZ LYS A 13 18.000 -10.464 6.249 1.00 0.00 N ATOM 0 HA LYS A 13 15.715 -6.504 2.158 1.00 0.00 H new ATOM 0 HB2 LYS A 13 14.933 -9.086 2.290 1.00 0.00 H new ATOM 0 HB3 LYS A 13 16.572 -8.639 2.722 1.00 0.00 H new ATOM 0 HG2 LYS A 13 14.453 -8.522 4.879 1.00 0.00 H new ATOM 0 HG3 LYS A 13 15.041 -10.098 4.388 1.00 0.00 H new ATOM 0 HD2 LYS A 13 16.986 -7.847 5.049 1.00 0.00 H new ATOM 0 HD3 LYS A 13 16.315 -8.851 6.318 1.00 0.00 H new ATOM 0 HE2 LYS A 13 17.134 -10.702 4.306 1.00 0.00 H new ATOM 0 HE3 LYS A 13 18.427 -9.522 4.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 18.699 -11.221 6.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 18.425 -9.702 6.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 17.172 -10.846 6.748 1.00 0.00 H new ATOM 199 N THR A 14 13.312 -7.164 1.335 1.00 0.00 N ATOM 200 CA THR A 14 11.892 -7.044 0.914 1.00 0.00 C ATOM 201 C THR A 14 11.590 -8.081 -0.168 1.00 0.00 C ATOM 202 O THR A 14 12.478 -8.560 -0.843 1.00 0.00 O ATOM 203 CB THR A 14 11.766 -5.635 0.346 1.00 0.00 C ATOM 204 OG1 THR A 14 13.053 -5.161 -0.031 1.00 0.00 O ATOM 205 CG2 THR A 14 11.164 -4.706 1.399 1.00 0.00 C ATOM 0 H THR A 14 13.954 -7.475 0.605 1.00 0.00 H new ATOM 0 HA THR A 14 11.196 -7.214 1.735 1.00 0.00 H new ATOM 0 HB THR A 14 11.115 -5.654 -0.528 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.974 -4.256 -0.398 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.076 -3.700 0.989 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.177 -5.070 1.683 1.00 0.00 H new ATOM 0 HG23 THR A 14 11.810 -4.684 2.277 1.00 0.00 H new ATOM 213 N LEU A 15 10.349 -8.436 -0.341 1.00 0.00 N ATOM 214 CA LEU A 15 10.009 -9.442 -1.377 1.00 0.00 C ATOM 215 C LEU A 15 9.364 -8.770 -2.586 1.00 0.00 C ATOM 216 O LEU A 15 8.628 -7.813 -2.452 1.00 0.00 O ATOM 217 CB LEU A 15 9.018 -10.376 -0.694 1.00 0.00 C ATOM 218 CG LEU A 15 9.666 -10.955 0.560 1.00 0.00 C ATOM 219 CD1 LEU A 15 9.396 -10.035 1.750 1.00 0.00 C ATOM 220 CD2 LEU A 15 9.084 -12.339 0.842 1.00 0.00 C ATOM 0 H LEU A 15 9.558 -8.072 0.190 1.00 0.00 H new ATOM 0 HA LEU A 15 10.889 -9.969 -1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.109 -9.835 -0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.727 -11.178 -1.372 1.00 0.00 H new ATOM 0 HG LEU A 15 10.742 -11.038 0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.860 -10.451 2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.814 -9.049 1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.321 -9.948 1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.547 -12.753 1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.008 -12.257 0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.281 -12.996 -0.005 1.00 0.00 H new ATOM 232 N PRO A 16 9.663 -9.309 -3.732 1.00 0.00 N ATOM 233 CA PRO A 16 9.107 -8.776 -4.990 1.00 0.00 C ATOM 234 C PRO A 16 7.683 -9.294 -5.168 1.00 0.00 C ATOM 235 O PRO A 16 6.908 -8.767 -5.937 1.00 0.00 O ATOM 236 CB PRO A 16 10.033 -9.349 -6.058 1.00 0.00 C ATOM 237 CG PRO A 16 10.614 -10.593 -5.458 1.00 0.00 C ATOM 238 CD PRO A 16 10.538 -10.461 -3.957 1.00 0.00 C ATOM 0 HA PRO A 16 9.056 -7.688 -5.026 1.00 0.00 H new ATOM 0 HB2 PRO A 16 9.485 -9.574 -6.973 1.00 0.00 H new ATOM 0 HB3 PRO A 16 10.816 -8.638 -6.322 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.063 -11.472 -5.792 1.00 0.00 H new ATOM 0 HG3 PRO A 16 11.648 -10.724 -5.778 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.131 -11.363 -3.500 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.525 -10.300 -3.523 1.00 0.00 H new ATOM 246 N ARG A 17 7.344 -10.331 -4.455 1.00 0.00 N ATOM 247 CA ARG A 17 5.981 -10.910 -4.569 1.00 0.00 C ATOM 248 C ARG A 17 5.738 -11.869 -3.398 1.00 0.00 C ATOM 249 O ARG A 17 5.449 -13.033 -3.586 1.00 0.00 O ATOM 250 CB ARG A 17 6.007 -11.674 -5.893 1.00 0.00 C ATOM 251 CG ARG A 17 4.649 -12.327 -6.130 1.00 0.00 C ATOM 252 CD ARG A 17 4.784 -13.429 -7.184 1.00 0.00 C ATOM 253 NE ARG A 17 5.931 -14.260 -6.727 1.00 0.00 N ATOM 254 CZ ARG A 17 5.941 -14.751 -5.517 1.00 0.00 C ATOM 255 NH1 ARG A 17 4.843 -15.229 -4.998 1.00 0.00 N ATOM 256 NH2 ARG A 17 7.048 -14.764 -4.828 1.00 0.00 N ATOM 0 H ARG A 17 7.959 -10.805 -3.793 1.00 0.00 H new ATOM 0 HA ARG A 17 5.190 -10.160 -4.543 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.244 -10.995 -6.712 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.789 -12.433 -5.872 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.268 -12.746 -5.198 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.928 -11.580 -6.461 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.871 -14.021 -7.255 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.970 -13.009 -8.173 1.00 0.00 H new ATOM 0 HE ARG A 17 6.710 -14.446 -7.359 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.977 -15.219 -5.538 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.851 -15.613 -4.053 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.906 -14.391 -5.234 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.056 -15.147 -3.883 1.00 0.00 H new ATOM 270 N VAL A 18 5.864 -11.388 -2.188 1.00 0.00 N ATOM 271 CA VAL A 18 5.642 -12.279 -1.002 1.00 0.00 C ATOM 272 C VAL A 18 4.428 -13.165 -1.242 1.00 0.00 C ATOM 273 O VAL A 18 3.700 -12.971 -2.190 1.00 0.00 O ATOM 274 CB VAL A 18 5.401 -11.333 0.181 1.00 0.00 C ATOM 275 CG1 VAL A 18 4.675 -10.074 -0.297 1.00 0.00 C ATOM 276 CG2 VAL A 18 4.549 -12.038 1.239 1.00 0.00 C ATOM 0 H VAL A 18 6.109 -10.423 -1.967 1.00 0.00 H new ATOM 0 HA VAL A 18 6.489 -12.939 -0.816 1.00 0.00 H new ATOM 0 HB VAL A 18 6.362 -11.053 0.612 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.508 -9.407 0.549 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.283 -9.565 -1.045 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.716 -10.351 -0.736 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.379 -11.363 2.078 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.591 -12.324 0.804 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.069 -12.930 1.590 1.00 0.00 H new ATOM 286 N ASP A 19 4.202 -14.133 -0.388 1.00 0.00 N ATOM 287 CA ASP A 19 3.024 -15.025 -0.567 1.00 0.00 C ATOM 288 C ASP A 19 1.859 -14.189 -1.089 1.00 0.00 C ATOM 289 O ASP A 19 0.981 -13.779 -0.358 1.00 0.00 O ATOM 290 CB ASP A 19 2.746 -15.569 0.829 1.00 0.00 C ATOM 291 CG ASP A 19 1.841 -16.798 0.735 1.00 0.00 C ATOM 292 OD1 ASP A 19 1.444 -17.132 -0.369 1.00 0.00 O ATOM 293 OD2 ASP A 19 1.561 -17.383 1.768 1.00 0.00 O ATOM 0 H ASP A 19 4.784 -14.341 0.423 1.00 0.00 H new ATOM 0 HA ASP A 19 3.182 -15.835 -1.279 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.683 -15.833 1.320 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.271 -14.802 1.440 1.00 0.00 H new ATOM 298 N PHE A 20 1.895 -13.896 -2.354 1.00 0.00 N ATOM 299 CA PHE A 20 0.856 -13.040 -2.976 1.00 0.00 C ATOM 300 C PHE A 20 -0.557 -13.455 -2.595 1.00 0.00 C ATOM 301 O PHE A 20 -1.205 -12.809 -1.797 1.00 0.00 O ATOM 302 CB PHE A 20 1.075 -13.199 -4.473 1.00 0.00 C ATOM 303 CG PHE A 20 1.010 -11.839 -5.091 1.00 0.00 C ATOM 304 CD1 PHE A 20 2.152 -11.035 -5.127 1.00 0.00 C ATOM 305 CD2 PHE A 20 -0.199 -11.372 -5.601 1.00 0.00 C ATOM 306 CE1 PHE A 20 2.085 -9.759 -5.683 1.00 0.00 C ATOM 307 CE2 PHE A 20 -0.272 -10.098 -6.153 1.00 0.00 C ATOM 308 CZ PHE A 20 0.874 -9.287 -6.196 1.00 0.00 C ATOM 0 H PHE A 20 2.617 -14.221 -2.997 1.00 0.00 H new ATOM 0 HA PHE A 20 0.947 -12.008 -2.636 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.041 -13.663 -4.671 1.00 0.00 H new ATOM 0 HB3 PHE A 20 0.315 -13.851 -4.903 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.085 -11.402 -4.725 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.078 -11.998 -5.568 1.00 0.00 H new ATOM 0 HE1 PHE A 20 2.967 -9.136 -5.717 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.208 -9.733 -6.548 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.819 -8.298 -6.626 1.00 0.00 H new ATOM 318 N LYS A 21 -1.058 -14.501 -3.174 1.00 0.00 N ATOM 319 CA LYS A 21 -2.446 -14.912 -2.849 1.00 0.00 C ATOM 320 C LYS A 21 -2.697 -14.758 -1.344 1.00 0.00 C ATOM 321 O LYS A 21 -3.817 -14.581 -0.907 1.00 0.00 O ATOM 322 CB LYS A 21 -2.544 -16.378 -3.272 1.00 0.00 C ATOM 323 CG LYS A 21 -2.296 -16.494 -4.778 1.00 0.00 C ATOM 324 CD LYS A 21 -1.272 -17.600 -5.042 1.00 0.00 C ATOM 325 CE LYS A 21 -1.234 -17.915 -6.538 1.00 0.00 C ATOM 326 NZ LYS A 21 -0.877 -16.625 -7.194 1.00 0.00 N ATOM 0 H LYS A 21 -0.573 -15.087 -3.853 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.190 -14.301 -3.360 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.813 -16.975 -2.726 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.529 -16.774 -3.024 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.229 -16.717 -5.295 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.932 -15.545 -5.172 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.286 -17.286 -4.701 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.534 -18.495 -4.478 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.498 -18.688 -6.760 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.198 -18.283 -6.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.472 -16.814 -8.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.730 -16.039 -7.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.179 -16.121 -6.611 1.00 0.00 H new ATOM 340 N ASN A 22 -1.659 -14.818 -0.549 1.00 0.00 N ATOM 341 CA ASN A 22 -1.833 -14.667 0.921 1.00 0.00 C ATOM 342 C ASN A 22 -1.891 -13.188 1.295 1.00 0.00 C ATOM 343 O ASN A 22 -2.550 -12.800 2.239 1.00 0.00 O ATOM 344 CB ASN A 22 -0.589 -15.305 1.521 1.00 0.00 C ATOM 345 CG ASN A 22 -0.991 -16.275 2.634 1.00 0.00 C ATOM 346 OD1 ASN A 22 -2.140 -16.653 2.742 1.00 0.00 O ATOM 347 ND2 ASN A 22 -0.085 -16.696 3.474 1.00 0.00 N ATOM 0 H ASN A 22 -0.698 -14.965 -0.858 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.754 -15.127 1.279 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.032 -15.834 0.748 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.071 -14.534 1.919 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.342 -17.342 4.220 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.880 -16.379 3.384 1.00 0.00 H new ATOM 354 N ILE A 23 -1.193 -12.365 0.565 1.00 0.00 N ATOM 355 CA ILE A 23 -1.187 -10.910 0.874 1.00 0.00 C ATOM 356 C ILE A 23 -2.583 -10.454 1.314 1.00 0.00 C ATOM 357 O ILE A 23 -3.504 -10.370 0.525 1.00 0.00 O ATOM 358 CB ILE A 23 -0.752 -10.228 -0.431 1.00 0.00 C ATOM 359 CG1 ILE A 23 0.578 -9.509 -0.206 1.00 0.00 C ATOM 360 CG2 ILE A 23 -1.803 -9.210 -0.880 1.00 0.00 C ATOM 361 CD1 ILE A 23 1.668 -10.541 0.080 1.00 0.00 C ATOM 0 H ILE A 23 -0.624 -12.639 -0.236 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.515 -10.658 1.694 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.642 -10.988 -1.205 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.840 -8.921 -1.086 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.492 -8.813 0.629 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.478 -8.736 -1.806 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.753 -9.717 -1.046 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.927 -8.450 -0.108 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.618 -10.032 0.241 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.406 -11.110 0.972 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.759 -11.219 -0.769 1.00 0.00 H new ATOM 373 N GLN A 24 -2.740 -10.159 2.574 1.00 0.00 N ATOM 374 CA GLN A 24 -4.070 -9.705 3.078 1.00 0.00 C ATOM 375 C GLN A 24 -4.052 -8.193 3.310 1.00 0.00 C ATOM 376 O GLN A 24 -5.041 -7.597 3.686 1.00 0.00 O ATOM 377 CB GLN A 24 -4.274 -10.451 4.397 1.00 0.00 C ATOM 378 CG GLN A 24 -5.599 -11.215 4.352 1.00 0.00 C ATOM 379 CD GLN A 24 -6.713 -10.338 4.923 1.00 0.00 C ATOM 380 OE1 GLN A 24 -6.708 -10.014 6.094 1.00 0.00 O ATOM 381 NE2 GLN A 24 -7.676 -9.936 4.140 1.00 0.00 N ATOM 0 H GLN A 24 -2.005 -10.212 3.279 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.874 -9.910 2.371 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.449 -11.143 4.567 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.276 -9.747 5.229 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.834 -11.497 3.326 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.518 -12.138 4.926 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.681 -10.208 3.157 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.424 -9.350 4.511 1.00 0.00 H new ATOM 390 N SER A 25 -2.930 -7.572 3.083 1.00 0.00 N ATOM 391 CA SER A 25 -2.828 -6.100 3.279 1.00 0.00 C ATOM 392 C SER A 25 -1.498 -5.606 2.714 1.00 0.00 C ATOM 393 O SER A 25 -0.493 -6.282 2.797 1.00 0.00 O ATOM 394 CB SER A 25 -2.885 -5.892 4.791 1.00 0.00 C ATOM 395 OG SER A 25 -1.561 -5.791 5.301 1.00 0.00 O ATOM 0 H SER A 25 -2.072 -8.025 2.767 1.00 0.00 H new ATOM 0 HA SER A 25 -3.622 -5.551 2.772 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.447 -4.988 5.024 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.407 -6.723 5.265 1.00 0.00 H new ATOM 0 HG SER A 25 -1.585 -5.817 6.280 1.00 0.00 H new ATOM 401 N LEU A 26 -1.474 -4.444 2.131 1.00 0.00 N ATOM 402 CA LEU A 26 -0.193 -3.941 1.561 1.00 0.00 C ATOM 403 C LEU A 26 0.059 -2.500 2.005 1.00 0.00 C ATOM 404 O LEU A 26 -0.842 -1.809 2.431 1.00 0.00 O ATOM 405 CB LEU A 26 -0.376 -4.001 0.041 1.00 0.00 C ATOM 406 CG LEU A 26 -1.195 -5.237 -0.332 1.00 0.00 C ATOM 407 CD1 LEU A 26 -1.274 -5.358 -1.856 1.00 0.00 C ATOM 408 CD2 LEU A 26 -0.523 -6.483 0.243 1.00 0.00 C ATOM 0 H LEU A 26 -2.277 -3.824 2.024 1.00 0.00 H new ATOM 0 HA LEU A 26 0.659 -4.533 1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.879 -3.100 -0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.596 -4.035 -0.451 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.201 -5.143 0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.858 -6.239 -2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.752 -4.469 -2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.268 -5.452 -2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.105 -7.365 -0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.483 -6.576 -0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.466 -6.398 1.328 1.00 0.00 H new ATOM 420 N SER A 27 1.280 -2.047 1.901 1.00 0.00 N ATOM 421 CA SER A 27 1.603 -0.650 2.303 1.00 0.00 C ATOM 422 C SER A 27 2.809 -0.149 1.506 1.00 0.00 C ATOM 423 O SER A 27 3.674 -0.915 1.133 1.00 0.00 O ATOM 424 CB SER A 27 1.930 -0.725 3.793 1.00 0.00 C ATOM 425 OG SER A 27 1.160 0.245 4.492 1.00 0.00 O ATOM 0 H SER A 27 2.071 -2.589 1.553 1.00 0.00 H new ATOM 0 HA SER A 27 0.782 0.040 2.110 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.713 -1.723 4.175 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.993 -0.547 3.953 1.00 0.00 H new ATOM 0 HG SER A 27 1.066 1.049 3.939 1.00 0.00 H new ATOM 431 N VAL A 28 2.876 1.125 1.231 1.00 0.00 N ATOM 432 CA VAL A 28 4.032 1.647 0.448 1.00 0.00 C ATOM 433 C VAL A 28 4.569 2.939 1.069 1.00 0.00 C ATOM 434 O VAL A 28 3.869 3.925 1.177 1.00 0.00 O ATOM 435 CB VAL A 28 3.469 1.917 -0.949 1.00 0.00 C ATOM 436 CG1 VAL A 28 4.431 2.818 -1.725 1.00 0.00 C ATOM 437 CG2 VAL A 28 3.300 0.590 -1.693 1.00 0.00 C ATOM 0 H VAL A 28 2.186 1.822 1.512 1.00 0.00 H new ATOM 0 HA VAL A 28 4.864 0.943 0.429 1.00 0.00 H new ATOM 0 HB VAL A 28 2.502 2.413 -0.861 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.028 3.009 -2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.552 3.763 -1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.399 2.325 -1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.899 0.780 -2.689 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.268 0.096 -1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.613 -0.052 -1.141 1.00 0.00 H new ATOM 447 N THR A 29 5.812 2.943 1.467 1.00 0.00 N ATOM 448 CA THR A 29 6.398 4.173 2.070 1.00 0.00 C ATOM 449 C THR A 29 7.639 4.590 1.277 1.00 0.00 C ATOM 450 O THR A 29 8.464 3.765 0.937 1.00 0.00 O ATOM 451 CB THR A 29 6.774 3.779 3.499 1.00 0.00 C ATOM 452 OG1 THR A 29 7.329 4.904 4.168 1.00 0.00 O ATOM 453 CG2 THR A 29 7.799 2.644 3.467 1.00 0.00 C ATOM 0 H THR A 29 6.447 2.147 1.401 1.00 0.00 H new ATOM 0 HA THR A 29 5.708 5.017 2.058 1.00 0.00 H new ATOM 0 HB THR A 29 5.883 3.443 4.029 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.569 4.654 5.085 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.065 2.365 4.487 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.371 1.782 2.955 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.692 2.975 2.937 1.00 0.00 H new ATOM 461 N PRO A 30 7.719 5.860 0.998 1.00 0.00 N ATOM 462 CA PRO A 30 8.862 6.397 0.220 1.00 0.00 C ATOM 463 C PRO A 30 10.143 6.407 1.061 1.00 0.00 C ATOM 464 O PRO A 30 10.138 6.004 2.208 1.00 0.00 O ATOM 465 CB PRO A 30 8.420 7.818 -0.124 1.00 0.00 C ATOM 466 CG PRO A 30 7.425 8.183 0.931 1.00 0.00 C ATOM 467 CD PRO A 30 6.764 6.905 1.377 1.00 0.00 C ATOM 0 HA PRO A 30 9.095 5.800 -0.661 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.266 8.505 -0.122 1.00 0.00 H new ATOM 0 HB3 PRO A 30 7.975 7.863 -1.118 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.916 8.676 1.770 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.687 8.882 0.539 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.579 6.905 2.451 1.00 0.00 H new ATOM 0 HD3 PRO A 30 5.801 6.762 0.887 1.00 0.00 H new ATOM 475 N PRO A 31 11.202 6.864 0.448 1.00 0.00 N ATOM 476 CA PRO A 31 12.519 6.924 1.134 1.00 0.00 C ATOM 477 C PRO A 31 12.521 7.978 2.239 1.00 0.00 C ATOM 478 O PRO A 31 12.200 9.129 2.021 1.00 0.00 O ATOM 479 CB PRO A 31 13.487 7.308 0.015 1.00 0.00 C ATOM 480 CG PRO A 31 12.640 8.002 -1.000 1.00 0.00 C ATOM 481 CD PRO A 31 11.279 7.365 -0.930 1.00 0.00 C ATOM 0 HA PRO A 31 12.781 5.986 1.623 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.278 7.961 0.383 1.00 0.00 H new ATOM 0 HB3 PRO A 31 13.971 6.428 -0.409 1.00 0.00 H new ATOM 0 HG2 PRO A 31 12.580 9.070 -0.790 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.066 7.897 -1.998 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.488 8.085 -1.139 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.176 6.559 -1.656 1.00 0.00 H new ATOM 564 N THR A 38 12.738 3.448 -1.791 1.00 0.00 N ATOM 565 CA THR A 38 11.289 3.160 -1.568 1.00 0.00 C ATOM 566 C THR A 38 11.121 1.783 -0.925 1.00 0.00 C ATOM 567 O THR A 38 11.807 0.841 -1.266 1.00 0.00 O ATOM 568 CB THR A 38 10.656 3.179 -2.962 1.00 0.00 C ATOM 569 OG1 THR A 38 11.641 3.529 -3.925 1.00 0.00 O ATOM 570 CG2 THR A 38 9.517 4.201 -2.999 1.00 0.00 C ATOM 0 HA THR A 38 10.823 3.886 -0.901 1.00 0.00 H new ATOM 0 HB THR A 38 10.259 2.190 -3.191 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.525 3.252 -3.604 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.069 4.211 -3.993 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.760 3.929 -2.263 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.909 5.191 -2.768 1.00 0.00 H new ATOM 578 N GLU A 39 10.217 1.657 0.007 1.00 0.00 N ATOM 579 CA GLU A 39 10.015 0.335 0.666 1.00 0.00 C ATOM 580 C GLU A 39 8.525 0.005 0.761 1.00 0.00 C ATOM 581 O GLU A 39 7.684 0.882 0.758 1.00 0.00 O ATOM 582 CB GLU A 39 10.618 0.493 2.060 1.00 0.00 C ATOM 583 CG GLU A 39 11.160 -0.857 2.523 1.00 0.00 C ATOM 584 CD GLU A 39 10.678 -1.146 3.946 1.00 0.00 C ATOM 585 OE1 GLU A 39 11.369 -0.761 4.874 1.00 0.00 O ATOM 586 OE2 GLU A 39 9.626 -1.748 4.082 1.00 0.00 O ATOM 0 H GLU A 39 9.612 2.408 0.340 1.00 0.00 H new ATOM 0 HA GLU A 39 10.481 -0.477 0.107 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.417 1.234 2.043 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.863 0.855 2.758 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.825 -1.645 1.848 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.250 -0.852 2.492 1.00 0.00 H new ATOM 593 N VAL A 40 8.189 -1.256 0.834 1.00 0.00 N ATOM 594 CA VAL A 40 6.749 -1.632 0.919 1.00 0.00 C ATOM 595 C VAL A 40 6.481 -2.517 2.139 1.00 0.00 C ATOM 596 O VAL A 40 7.383 -3.079 2.728 1.00 0.00 O ATOM 597 CB VAL A 40 6.479 -2.413 -0.365 1.00 0.00 C ATOM 598 CG1 VAL A 40 5.042 -2.938 -0.360 1.00 0.00 C ATOM 599 CG2 VAL A 40 6.677 -1.495 -1.568 1.00 0.00 C ATOM 0 H VAL A 40 8.845 -2.037 0.838 1.00 0.00 H new ATOM 0 HA VAL A 40 6.107 -0.757 1.024 1.00 0.00 H new ATOM 0 HB VAL A 40 7.170 -3.254 -0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.855 -3.494 -1.278 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.897 -3.595 0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.349 -2.099 -0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.485 -2.051 -2.486 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.986 -0.654 -1.502 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.702 -1.123 -1.577 1.00 0.00 H new ATOM 609 N ILE A 41 5.238 -2.654 2.501 1.00 0.00 N ATOM 610 CA ILE A 41 4.869 -3.513 3.661 1.00 0.00 C ATOM 611 C ILE A 41 3.613 -4.304 3.302 1.00 0.00 C ATOM 612 O ILE A 41 2.694 -3.775 2.716 1.00 0.00 O ATOM 613 CB ILE A 41 4.570 -2.550 4.810 1.00 0.00 C ATOM 614 CG1 ILE A 41 5.521 -1.351 4.747 1.00 0.00 C ATOM 615 CG2 ILE A 41 4.756 -3.276 6.142 1.00 0.00 C ATOM 616 CD1 ILE A 41 6.957 -1.828 4.963 1.00 0.00 C ATOM 0 H ILE A 41 4.450 -2.202 2.037 1.00 0.00 H new ATOM 0 HA ILE A 41 5.657 -4.217 3.929 1.00 0.00 H new ATOM 0 HB ILE A 41 3.542 -2.197 4.724 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.433 -0.854 3.781 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.251 -0.619 5.508 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.543 -2.591 6.963 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.074 -4.125 6.192 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.784 -3.631 6.223 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.634 -0.975 4.918 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.039 -2.306 5.939 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.223 -2.544 4.186 1.00 0.00 H new ATOM 628 N ALA A 42 3.554 -5.561 3.627 1.00 0.00 N ATOM 629 CA ALA A 42 2.337 -6.338 3.265 1.00 0.00 C ATOM 630 C ALA A 42 2.099 -7.484 4.246 1.00 0.00 C ATOM 631 O ALA A 42 3.022 -8.089 4.754 1.00 0.00 O ATOM 632 CB ALA A 42 2.629 -6.887 1.870 1.00 0.00 C ATOM 0 H ALA A 42 4.281 -6.079 4.119 1.00 0.00 H new ATOM 0 HA ALA A 42 1.440 -5.720 3.294 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.779 -7.475 1.525 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.800 -6.059 1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.517 -7.519 1.906 1.00 0.00 H new ATOM 638 N THR A 43 0.858 -7.801 4.492 1.00 0.00 N ATOM 639 CA THR A 43 0.537 -8.922 5.416 1.00 0.00 C ATOM 640 C THR A 43 -0.018 -10.087 4.600 1.00 0.00 C ATOM 641 O THR A 43 -0.553 -9.902 3.527 1.00 0.00 O ATOM 642 CB THR A 43 -0.530 -8.376 6.367 1.00 0.00 C ATOM 643 OG1 THR A 43 0.090 -7.561 7.352 1.00 0.00 O ATOM 644 CG2 THR A 43 -1.254 -9.541 7.047 1.00 0.00 C ATOM 0 H THR A 43 0.049 -7.328 4.090 1.00 0.00 H new ATOM 0 HA THR A 43 1.407 -9.280 5.966 1.00 0.00 H new ATOM 0 HB THR A 43 -1.251 -7.782 5.804 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.429 -7.600 8.183 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.014 -9.151 7.724 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.728 -10.166 6.290 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.536 -10.136 7.611 1.00 0.00 H new ATOM 652 N LEU A 44 0.123 -11.286 5.081 1.00 0.00 N ATOM 653 CA LEU A 44 -0.375 -12.453 4.309 1.00 0.00 C ATOM 654 C LEU A 44 -1.603 -13.074 4.975 1.00 0.00 C ATOM 655 O LEU A 44 -1.992 -12.699 6.063 1.00 0.00 O ATOM 656 CB LEU A 44 0.792 -13.426 4.332 1.00 0.00 C ATOM 657 CG LEU A 44 2.057 -12.702 3.881 1.00 0.00 C ATOM 658 CD1 LEU A 44 3.250 -13.643 4.011 1.00 0.00 C ATOM 659 CD2 LEU A 44 1.906 -12.268 2.423 1.00 0.00 C ATOM 0 H LEU A 44 0.561 -11.509 5.975 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.687 -12.182 3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.927 -13.827 5.336 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.589 -14.272 3.675 1.00 0.00 H new ATOM 0 HG LEU A 44 2.216 -11.822 4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.156 -13.129 3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.358 -13.952 5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.090 -14.522 3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.810 -11.751 2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.748 -13.146 1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.052 -11.597 2.330 1.00 0.00 H new ATOM 671 N LYS A 45 -2.218 -14.024 4.323 1.00 0.00 N ATOM 672 CA LYS A 45 -3.421 -14.674 4.910 1.00 0.00 C ATOM 673 C LYS A 45 -3.004 -15.799 5.860 1.00 0.00 C ATOM 674 O LYS A 45 -2.380 -16.761 5.460 1.00 0.00 O ATOM 675 CB LYS A 45 -4.193 -15.237 3.716 1.00 0.00 C ATOM 676 CG LYS A 45 -5.610 -14.660 3.705 1.00 0.00 C ATOM 677 CD LYS A 45 -6.627 -15.804 3.683 1.00 0.00 C ATOM 678 CE LYS A 45 -6.344 -16.718 2.489 1.00 0.00 C ATOM 679 NZ LYS A 45 -7.015 -16.059 1.334 1.00 0.00 N ATOM 0 H LYS A 45 -1.937 -14.377 3.408 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.024 -13.976 5.491 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.680 -14.987 2.787 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.232 -16.325 3.775 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.767 -14.037 4.585 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.747 -14.021 2.833 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.570 -16.373 4.611 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.639 -15.404 3.616 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.273 -16.822 2.317 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.739 -17.720 2.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.880 -16.636 0.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.032 -15.964 1.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.602 -15.116 1.184 1.00 0.00 H new ATOM 693 N GLY A 46 -3.344 -15.685 7.113 1.00 0.00 N ATOM 694 CA GLY A 46 -2.967 -16.743 8.086 1.00 0.00 C ATOM 695 C GLY A 46 -2.236 -16.111 9.270 1.00 0.00 C ATOM 696 O GLY A 46 -2.253 -16.629 10.370 1.00 0.00 O ATOM 0 H GLY A 46 -3.868 -14.902 7.505 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.858 -17.267 8.433 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.329 -17.484 7.604 1.00 0.00 H new ATOM 700 N GLY A 47 -1.593 -14.995 9.058 1.00 0.00 N ATOM 701 CA GLY A 47 -0.864 -14.335 10.173 1.00 0.00 C ATOM 702 C GLY A 47 0.632 -14.322 9.865 1.00 0.00 C ATOM 703 O GLY A 47 1.404 -15.065 10.438 1.00 0.00 O ATOM 0 H GLY A 47 -1.542 -14.513 8.160 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.228 -13.316 10.307 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.049 -14.865 11.107 1.00 0.00 H new ATOM 707 N GLN A 48 1.044 -13.481 8.962 1.00 0.00 N ATOM 708 CA GLN A 48 2.486 -13.407 8.605 1.00 0.00 C ATOM 709 C GLN A 48 2.723 -12.203 7.697 1.00 0.00 C ATOM 710 O GLN A 48 2.451 -12.241 6.515 1.00 0.00 O ATOM 711 CB GLN A 48 2.781 -14.711 7.864 1.00 0.00 C ATOM 712 CG GLN A 48 4.083 -14.567 7.073 1.00 0.00 C ATOM 713 CD GLN A 48 4.385 -15.880 6.348 1.00 0.00 C ATOM 714 OE1 GLN A 48 3.484 -16.605 5.979 1.00 0.00 O ATOM 715 NE2 GLN A 48 5.627 -16.218 6.127 1.00 0.00 N ATOM 0 H GLN A 48 0.440 -12.837 8.452 1.00 0.00 H new ATOM 0 HA GLN A 48 3.131 -13.289 9.476 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.864 -15.534 8.574 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.959 -14.953 7.190 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.996 -13.753 6.353 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.903 -14.313 7.744 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.384 -15.609 6.437 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.840 -17.091 5.644 1.00 0.00 H new ATOM 724 N LYS A 49 3.215 -11.129 8.244 1.00 0.00 N ATOM 725 CA LYS A 49 3.452 -9.916 7.416 1.00 0.00 C ATOM 726 C LYS A 49 4.942 -9.685 7.211 1.00 0.00 C ATOM 727 O LYS A 49 5.782 -10.324 7.811 1.00 0.00 O ATOM 728 CB LYS A 49 2.851 -8.769 8.221 1.00 0.00 C ATOM 729 CG LYS A 49 3.257 -7.421 7.618 1.00 0.00 C ATOM 730 CD LYS A 49 2.722 -6.290 8.500 1.00 0.00 C ATOM 731 CE LYS A 49 1.615 -5.539 7.757 1.00 0.00 C ATOM 732 NZ LYS A 49 1.960 -4.098 7.910 1.00 0.00 N ATOM 0 H LYS A 49 3.463 -11.038 9.229 1.00 0.00 H new ATOM 0 HA LYS A 49 3.008 -10.009 6.425 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.765 -8.856 8.234 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.188 -8.827 9.256 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.342 -7.356 7.542 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.860 -7.328 6.607 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.336 -6.696 9.435 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.529 -5.605 8.760 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.579 -5.827 6.706 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.635 -5.758 8.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.662 -3.577 7.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.472 -3.711 8.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.988 -3.998 8.034 1.00 0.00 H new ATOM 746 N VAL A 50 5.261 -8.765 6.358 1.00 0.00 N ATOM 747 CA VAL A 50 6.695 -8.459 6.080 1.00 0.00 C ATOM 748 C VAL A 50 6.814 -7.194 5.221 1.00 0.00 C ATOM 749 O VAL A 50 5.878 -6.430 5.090 1.00 0.00 O ATOM 750 CB VAL A 50 7.217 -9.684 5.323 1.00 0.00 C ATOM 751 CG1 VAL A 50 6.927 -9.532 3.827 1.00 0.00 C ATOM 752 CG2 VAL A 50 8.726 -9.812 5.539 1.00 0.00 C ATOM 0 H VAL A 50 4.590 -8.203 5.834 1.00 0.00 H new ATOM 0 HA VAL A 50 7.264 -8.270 6.990 1.00 0.00 H new ATOM 0 HB VAL A 50 6.717 -10.577 5.697 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.300 -10.406 3.293 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.852 -9.444 3.672 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.422 -8.637 3.449 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.098 -10.684 5.001 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.224 -8.916 5.168 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.933 -9.927 6.603 1.00 0.00 H new ATOM 762 N CYS A 51 7.956 -6.977 4.628 1.00 0.00 N ATOM 763 CA CYS A 51 8.137 -5.773 3.767 1.00 0.00 C ATOM 764 C CYS A 51 8.233 -6.204 2.304 1.00 0.00 C ATOM 765 O CYS A 51 8.662 -7.300 2.001 1.00 0.00 O ATOM 766 CB CYS A 51 9.448 -5.140 4.238 1.00 0.00 C ATOM 767 SG CYS A 51 9.105 -3.981 5.587 1.00 0.00 S ATOM 0 H CYS A 51 8.773 -7.583 4.703 1.00 0.00 H new ATOM 0 HA CYS A 51 7.307 -5.070 3.842 1.00 0.00 H new ATOM 0 HB2 CYS A 51 10.138 -5.914 4.575 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.931 -4.620 3.411 1.00 0.00 H new ATOM 0 HG CYS A 51 9.416 -2.776 5.213 1.00 0.00 H new ATOM 772 N LEU A 52 7.806 -5.374 1.393 1.00 0.00 N ATOM 773 CA LEU A 52 7.844 -5.765 -0.031 1.00 0.00 C ATOM 774 C LEU A 52 8.900 -4.972 -0.807 1.00 0.00 C ATOM 775 O LEU A 52 9.430 -3.981 -0.336 1.00 0.00 O ATOM 776 CB LEU A 52 6.445 -5.427 -0.517 1.00 0.00 C ATOM 777 CG LEU A 52 5.747 -6.696 -0.992 1.00 0.00 C ATOM 778 CD1 LEU A 52 4.233 -6.499 -0.916 1.00 0.00 C ATOM 779 CD2 LEU A 52 6.153 -6.998 -2.437 1.00 0.00 C ATOM 0 H LEU A 52 7.433 -4.443 1.580 1.00 0.00 H new ATOM 0 HA LEU A 52 8.112 -6.812 -0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.872 -4.964 0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.497 -4.703 -1.330 1.00 0.00 H new ATOM 0 HG LEU A 52 6.039 -7.531 -0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.731 -7.405 -1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.945 -6.288 0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.942 -5.663 -1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.652 -7.906 -2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.864 -6.165 -3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.233 -7.138 -2.490 1.00 0.00 H new ATOM 791 N ASP A 53 9.197 -5.425 -1.997 1.00 0.00 N ATOM 792 CA ASP A 53 10.214 -4.753 -2.862 1.00 0.00 C ATOM 793 C ASP A 53 9.996 -3.234 -2.906 1.00 0.00 C ATOM 794 O ASP A 53 9.296 -2.681 -2.081 1.00 0.00 O ATOM 795 CB ASP A 53 9.980 -5.370 -4.240 1.00 0.00 C ATOM 796 CG ASP A 53 11.284 -5.978 -4.760 1.00 0.00 C ATOM 797 OD1 ASP A 53 11.941 -6.665 -3.996 1.00 0.00 O ATOM 798 OD2 ASP A 53 11.603 -5.746 -5.914 1.00 0.00 O ATOM 0 H ASP A 53 8.768 -6.251 -2.415 1.00 0.00 H new ATOM 0 HA ASP A 53 11.231 -4.895 -2.495 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.208 -6.137 -4.179 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.620 -4.610 -4.933 1.00 0.00 H new ATOM 803 N PRO A 54 10.611 -2.607 -3.877 1.00 0.00 N ATOM 804 CA PRO A 54 10.490 -1.143 -4.030 1.00 0.00 C ATOM 805 C PRO A 54 9.244 -0.831 -4.850 1.00 0.00 C ATOM 806 O PRO A 54 9.305 -0.661 -6.050 1.00 0.00 O ATOM 807 CB PRO A 54 11.758 -0.766 -4.790 1.00 0.00 C ATOM 808 CG PRO A 54 12.173 -2.004 -5.533 1.00 0.00 C ATOM 809 CD PRO A 54 11.465 -3.192 -4.919 1.00 0.00 C ATOM 0 HA PRO A 54 10.394 -0.599 -3.090 1.00 0.00 H new ATOM 0 HB2 PRO A 54 11.571 0.059 -5.478 1.00 0.00 H new ATOM 0 HB3 PRO A 54 12.541 -0.439 -4.106 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.918 -1.915 -6.589 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.253 -2.136 -5.476 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.875 -3.730 -5.661 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.175 -3.904 -4.498 1.00 0.00 H new ATOM 817 N GLU A 55 8.106 -0.793 -4.219 1.00 0.00 N ATOM 818 CA GLU A 55 6.857 -0.542 -4.981 1.00 0.00 C ATOM 819 C GLU A 55 6.665 -1.710 -5.941 1.00 0.00 C ATOM 820 O GLU A 55 5.969 -1.617 -6.932 1.00 0.00 O ATOM 821 CB GLU A 55 7.097 0.763 -5.744 1.00 0.00 C ATOM 822 CG GLU A 55 7.713 1.802 -4.802 1.00 0.00 C ATOM 823 CD GLU A 55 9.008 2.341 -5.411 1.00 0.00 C ATOM 824 OE1 GLU A 55 9.901 1.546 -5.656 1.00 0.00 O ATOM 825 OE2 GLU A 55 9.087 3.541 -5.622 1.00 0.00 O ATOM 0 H GLU A 55 7.988 -0.924 -3.214 1.00 0.00 H new ATOM 0 HA GLU A 55 5.969 -0.458 -4.355 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.761 0.585 -6.590 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.157 1.137 -6.150 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.010 2.618 -4.635 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.916 1.352 -3.830 1.00 0.00 H new ATOM 832 N ALA A 56 7.307 -2.812 -5.650 1.00 0.00 N ATOM 833 CA ALA A 56 7.202 -3.999 -6.537 1.00 0.00 C ATOM 834 C ALA A 56 7.250 -3.544 -7.995 1.00 0.00 C ATOM 835 O ALA A 56 6.250 -3.544 -8.680 1.00 0.00 O ATOM 836 CB ALA A 56 5.854 -4.644 -6.200 1.00 0.00 C ATOM 0 H ALA A 56 7.902 -2.937 -4.831 1.00 0.00 H new ATOM 0 HA ALA A 56 8.018 -4.708 -6.393 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.709 -5.529 -6.819 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.841 -4.931 -5.148 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.052 -3.932 -6.392 1.00 0.00 H new ATOM 842 N PRO A 57 8.428 -3.162 -8.416 1.00 0.00 N ATOM 843 CA PRO A 57 8.621 -2.692 -9.807 1.00 0.00 C ATOM 844 C PRO A 57 8.560 -3.884 -10.754 1.00 0.00 C ATOM 845 O PRO A 57 7.692 -3.978 -11.598 1.00 0.00 O ATOM 846 CB PRO A 57 10.013 -2.069 -9.790 1.00 0.00 C ATOM 847 CG PRO A 57 10.724 -2.737 -8.656 1.00 0.00 C ATOM 848 CD PRO A 57 9.676 -3.138 -7.646 1.00 0.00 C ATOM 0 HA PRO A 57 7.862 -1.985 -10.143 1.00 0.00 H new ATOM 0 HB2 PRO A 57 10.532 -2.236 -10.734 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.961 -0.990 -9.642 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.274 -3.610 -9.008 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.452 -2.061 -8.207 1.00 0.00 H new ATOM 0 HD2 PRO A 57 9.895 -4.113 -7.211 1.00 0.00 H new ATOM 0 HD3 PRO A 57 9.623 -2.426 -6.823 1.00 0.00 H new ATOM 856 N LEU A 58 9.462 -4.812 -10.604 1.00 0.00 N ATOM 857 CA LEU A 58 9.429 -6.008 -11.480 1.00 0.00 C ATOM 858 C LEU A 58 8.104 -6.733 -11.260 1.00 0.00 C ATOM 859 O LEU A 58 7.482 -7.213 -12.187 1.00 0.00 O ATOM 860 CB LEU A 58 10.605 -6.873 -11.025 1.00 0.00 C ATOM 861 CG LEU A 58 11.140 -7.675 -12.213 1.00 0.00 C ATOM 862 CD1 LEU A 58 9.981 -8.395 -12.907 1.00 0.00 C ATOM 863 CD2 LEU A 58 11.815 -6.726 -13.205 1.00 0.00 C ATOM 0 H LEU A 58 10.215 -4.792 -9.916 1.00 0.00 H new ATOM 0 HA LEU A 58 9.508 -5.768 -12.540 1.00 0.00 H new ATOM 0 HB2 LEU A 58 11.394 -6.244 -10.612 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.287 -7.548 -10.231 1.00 0.00 H new ATOM 0 HG LEU A 58 11.864 -8.409 -11.859 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.362 -8.966 -13.753 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.498 -9.071 -12.201 1.00 0.00 H new ATOM 0 HD13 LEU A 58 9.257 -7.661 -13.261 1.00 0.00 H new ATOM 0 HD21 LEU A 58 12.197 -7.296 -14.052 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.090 -5.993 -13.558 1.00 0.00 H new ATOM 0 HD23 LEU A 58 12.640 -6.212 -12.713 1.00 0.00 H new ATOM 875 N VAL A 59 7.660 -6.805 -10.031 1.00 0.00 N ATOM 876 CA VAL A 59 6.365 -7.491 -9.752 1.00 0.00 C ATOM 877 C VAL A 59 5.204 -6.491 -9.800 1.00 0.00 C ATOM 878 O VAL A 59 4.069 -6.832 -9.535 1.00 0.00 O ATOM 879 CB VAL A 59 6.515 -8.073 -8.353 1.00 0.00 C ATOM 880 CG1 VAL A 59 5.232 -8.815 -7.979 1.00 0.00 C ATOM 881 CG2 VAL A 59 7.695 -9.047 -8.342 1.00 0.00 C ATOM 0 H VAL A 59 8.135 -6.421 -9.214 1.00 0.00 H new ATOM 0 HA VAL A 59 6.144 -8.261 -10.491 1.00 0.00 H new ATOM 0 HB VAL A 59 6.695 -7.275 -7.633 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.333 -9.234 -6.978 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.392 -8.121 -7.999 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.055 -9.619 -8.693 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.810 -9.469 -7.343 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.511 -9.850 -9.056 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.607 -8.517 -8.619 1.00 0.00 H new ATOM 891 N GLN A 60 5.480 -5.261 -10.132 1.00 0.00 N ATOM 892 CA GLN A 60 4.390 -4.242 -10.192 1.00 0.00 C ATOM 893 C GLN A 60 3.165 -4.833 -10.883 1.00 0.00 C ATOM 894 O GLN A 60 2.045 -4.654 -10.449 1.00 0.00 O ATOM 895 CB GLN A 60 4.967 -3.086 -11.010 1.00 0.00 C ATOM 896 CG GLN A 60 4.246 -1.787 -10.636 1.00 0.00 C ATOM 897 CD GLN A 60 5.106 -0.985 -9.655 1.00 0.00 C ATOM 898 OE1 GLN A 60 6.262 -0.723 -9.918 1.00 0.00 O ATOM 899 NE2 GLN A 60 4.584 -0.576 -8.529 1.00 0.00 N ATOM 0 H GLN A 60 6.411 -4.915 -10.364 1.00 0.00 H new ATOM 0 HA GLN A 60 4.072 -3.914 -9.202 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.036 -2.989 -10.819 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.850 -3.286 -12.075 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.052 -1.197 -11.531 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.279 -2.013 -10.187 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.613 -0.796 -8.307 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.148 -0.037 -7.872 1.00 0.00 H new ATOM 908 N LYS A 61 3.374 -5.541 -11.953 1.00 0.00 N ATOM 909 CA LYS A 61 2.222 -6.155 -12.673 1.00 0.00 C ATOM 910 C LYS A 61 1.434 -7.045 -11.714 1.00 0.00 C ATOM 911 O LYS A 61 0.246 -6.877 -11.524 1.00 0.00 O ATOM 912 CB LYS A 61 2.846 -6.986 -13.794 1.00 0.00 C ATOM 913 CG LYS A 61 2.571 -6.316 -15.142 1.00 0.00 C ATOM 914 CD LYS A 61 3.483 -6.925 -16.209 1.00 0.00 C ATOM 915 CE LYS A 61 4.946 -6.727 -15.806 1.00 0.00 C ATOM 916 NZ LYS A 61 5.620 -6.230 -17.038 1.00 0.00 N ATOM 0 H LYS A 61 4.290 -5.723 -12.362 1.00 0.00 H new ATOM 0 HA LYS A 61 1.529 -5.411 -13.066 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.920 -7.081 -13.636 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.433 -7.995 -13.786 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.526 -6.451 -15.421 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.745 -5.242 -15.069 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.267 -7.987 -16.323 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.294 -6.456 -17.174 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.037 -6.011 -14.990 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.391 -7.661 -15.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.629 -6.070 -16.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.522 -6.936 -17.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.180 -5.337 -17.338 1.00 0.00 H new ATOM 930 N ILE A 62 2.095 -7.982 -11.100 1.00 0.00 N ATOM 931 CA ILE A 62 1.396 -8.879 -10.139 1.00 0.00 C ATOM 932 C ILE A 62 0.760 -8.040 -9.030 1.00 0.00 C ATOM 933 O ILE A 62 -0.227 -8.424 -8.435 1.00 0.00 O ATOM 934 CB ILE A 62 2.493 -9.789 -9.584 1.00 0.00 C ATOM 935 CG1 ILE A 62 3.102 -10.603 -10.727 1.00 0.00 C ATOM 936 CG2 ILE A 62 1.892 -10.741 -8.549 1.00 0.00 C ATOM 937 CD1 ILE A 62 4.121 -11.594 -10.162 1.00 0.00 C ATOM 0 H ILE A 62 3.091 -8.167 -11.221 1.00 0.00 H new ATOM 0 HA ILE A 62 0.595 -9.457 -10.599 1.00 0.00 H new ATOM 0 HB ILE A 62 3.266 -9.181 -9.114 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.319 -11.137 -11.264 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.584 -9.939 -11.444 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.674 -11.389 -8.154 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.453 -10.164 -7.735 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.120 -11.349 -9.020 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.555 -12.174 -10.977 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.910 -11.049 -9.644 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.625 -12.266 -9.462 1.00 0.00 H new ATOM 949 N ILE A 63 1.303 -6.882 -8.765 1.00 0.00 N ATOM 950 CA ILE A 63 0.712 -6.008 -7.720 1.00 0.00 C ATOM 951 C ILE A 63 -0.581 -5.421 -8.264 1.00 0.00 C ATOM 952 O ILE A 63 -1.640 -5.582 -7.695 1.00 0.00 O ATOM 953 CB ILE A 63 1.765 -4.923 -7.478 1.00 0.00 C ATOM 954 CG1 ILE A 63 2.455 -5.187 -6.142 1.00 0.00 C ATOM 955 CG2 ILE A 63 1.105 -3.546 -7.455 1.00 0.00 C ATOM 956 CD1 ILE A 63 2.929 -6.638 -6.116 1.00 0.00 C ATOM 0 H ILE A 63 2.130 -6.507 -9.229 1.00 0.00 H new ATOM 0 HA ILE A 63 0.470 -6.527 -6.793 1.00 0.00 H new ATOM 0 HB ILE A 63 2.499 -4.945 -8.283 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.300 -4.511 -6.013 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.767 -4.999 -5.318 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.863 -2.782 -7.282 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.615 -3.361 -8.411 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.365 -3.510 -6.655 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.424 -6.842 -5.167 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.072 -7.303 -6.228 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.629 -6.807 -6.934 1.00 0.00 H new ATOM 968 N GLN A 64 -0.506 -4.772 -9.387 1.00 0.00 N ATOM 969 CA GLN A 64 -1.745 -4.214 -9.986 1.00 0.00 C ATOM 970 C GLN A 64 -2.788 -5.326 -9.996 1.00 0.00 C ATOM 971 O GLN A 64 -3.973 -5.094 -9.869 1.00 0.00 O ATOM 972 CB GLN A 64 -1.354 -3.786 -11.405 1.00 0.00 C ATOM 973 CG GLN A 64 -1.983 -4.733 -12.429 1.00 0.00 C ATOM 974 CD GLN A 64 -3.464 -4.395 -12.598 1.00 0.00 C ATOM 975 OE1 GLN A 64 -3.857 -3.253 -12.473 1.00 0.00 O ATOM 976 NE2 GLN A 64 -4.309 -5.350 -12.879 1.00 0.00 N ATOM 0 H GLN A 64 0.352 -4.604 -9.913 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.161 -3.366 -9.443 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.686 -2.764 -11.590 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.269 -3.792 -11.510 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.468 -4.645 -13.386 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.871 -5.766 -12.101 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.978 -6.309 -12.984 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.300 -5.137 -12.994 1.00 0.00 H new ATOM 985 N LYS A 65 -2.335 -6.545 -10.115 1.00 0.00 N ATOM 986 CA LYS A 65 -3.272 -7.697 -10.101 1.00 0.00 C ATOM 987 C LYS A 65 -3.862 -7.832 -8.699 1.00 0.00 C ATOM 988 O LYS A 65 -5.000 -8.211 -8.522 1.00 0.00 O ATOM 989 CB LYS A 65 -2.414 -8.916 -10.446 1.00 0.00 C ATOM 990 CG LYS A 65 -3.236 -9.902 -11.279 1.00 0.00 C ATOM 991 CD LYS A 65 -3.522 -11.157 -10.454 1.00 0.00 C ATOM 992 CE LYS A 65 -2.211 -11.706 -9.884 1.00 0.00 C ATOM 993 NZ LYS A 65 -2.503 -13.128 -9.552 1.00 0.00 N ATOM 0 H LYS A 65 -1.351 -6.790 -10.222 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.099 -7.585 -10.802 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.529 -8.605 -11.001 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.065 -9.398 -9.533 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.172 -9.438 -11.591 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.694 -10.167 -12.187 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.213 -10.923 -9.644 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.004 -11.911 -11.076 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.401 -11.628 -10.610 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.901 -11.149 -9.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.651 -13.574 -9.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.273 -13.171 -8.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.789 -13.634 -10.414 1.00 0.00 H new ATOM 1007 N ILE A 66 -3.086 -7.502 -7.701 1.00 0.00 N ATOM 1008 CA ILE A 66 -3.585 -7.587 -6.302 1.00 0.00 C ATOM 1009 C ILE A 66 -4.430 -6.352 -5.987 1.00 0.00 C ATOM 1010 O ILE A 66 -5.318 -6.381 -5.158 1.00 0.00 O ATOM 1011 CB ILE A 66 -2.323 -7.633 -5.435 1.00 0.00 C ATOM 1012 CG1 ILE A 66 -2.512 -8.659 -4.315 1.00 0.00 C ATOM 1013 CG2 ILE A 66 -2.055 -6.256 -4.820 1.00 0.00 C ATOM 1014 CD1 ILE A 66 -3.824 -8.380 -3.580 1.00 0.00 C ATOM 0 H ILE A 66 -2.124 -7.176 -7.797 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.217 -8.457 -6.126 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.475 -7.917 -6.058 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.523 -9.667 -4.730 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.675 -8.610 -3.618 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.156 -6.301 -4.206 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.916 -5.523 -5.615 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.903 -5.963 -4.201 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.957 -9.111 -2.783 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.795 -7.378 -3.152 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.656 -8.452 -4.281 1.00 0.00 H new ATOM 1026 N LEU A 67 -4.156 -5.268 -6.655 1.00 0.00 N ATOM 1027 CA LEU A 67 -4.934 -4.024 -6.422 1.00 0.00 C ATOM 1028 C LEU A 67 -6.209 -4.052 -7.264 1.00 0.00 C ATOM 1029 O LEU A 67 -7.228 -3.507 -6.890 1.00 0.00 O ATOM 1030 CB LEU A 67 -4.011 -2.896 -6.886 1.00 0.00 C ATOM 1031 CG LEU A 67 -3.156 -2.419 -5.713 1.00 0.00 C ATOM 1032 CD1 LEU A 67 -1.844 -3.205 -5.694 1.00 0.00 C ATOM 1033 CD2 LEU A 67 -2.854 -0.928 -5.875 1.00 0.00 C ATOM 0 H LEU A 67 -3.421 -5.191 -7.358 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.235 -3.902 -5.382 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.372 -3.246 -7.697 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.601 -2.068 -7.280 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.694 -2.580 -4.779 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.230 -2.868 -4.859 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.058 -4.268 -5.582 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.307 -3.040 -6.628 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.244 -0.587 -5.038 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.314 -0.765 -6.808 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.789 -0.367 -5.895 1.00 0.00 H new ATOM 1045 N ASN A 68 -6.150 -4.677 -8.407 1.00 0.00 N ATOM 1046 CA ASN A 68 -7.345 -4.738 -9.288 1.00 0.00 C ATOM 1047 C ASN A 68 -8.195 -5.979 -8.982 1.00 0.00 C ATOM 1048 O ASN A 68 -9.274 -6.141 -9.517 1.00 0.00 O ATOM 1049 CB ASN A 68 -6.781 -4.809 -10.705 1.00 0.00 C ATOM 1050 CG ASN A 68 -7.577 -3.875 -11.618 1.00 0.00 C ATOM 1051 OD1 ASN A 68 -8.395 -4.321 -12.398 1.00 0.00 O ATOM 1052 ND2 ASN A 68 -7.369 -2.587 -11.553 1.00 0.00 N ATOM 0 H ASN A 68 -5.321 -5.149 -8.768 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.000 -3.878 -9.145 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.729 -4.524 -10.704 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.834 -5.832 -11.078 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -7.894 -1.955 -12.157 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -6.682 -2.214 -10.898 1.00 0.00 H new ATOM 1059 N LYS A 69 -7.727 -6.860 -8.135 1.00 0.00 N ATOM 1060 CA LYS A 69 -8.534 -8.079 -7.823 1.00 0.00 C ATOM 1061 C LYS A 69 -9.642 -7.748 -6.828 1.00 0.00 C ATOM 1062 O LYS A 69 -10.292 -8.620 -6.284 1.00 0.00 O ATOM 1063 CB LYS A 69 -7.553 -9.093 -7.234 1.00 0.00 C ATOM 1064 CG LYS A 69 -7.187 -8.690 -5.804 1.00 0.00 C ATOM 1065 CD LYS A 69 -6.619 -9.902 -5.062 1.00 0.00 C ATOM 1066 CE LYS A 69 -7.754 -10.869 -4.718 1.00 0.00 C ATOM 1067 NZ LYS A 69 -7.141 -11.872 -3.805 1.00 0.00 N ATOM 0 H LYS A 69 -6.832 -6.790 -7.651 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.023 -8.475 -8.713 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.998 -10.088 -7.239 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.654 -9.143 -7.849 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.455 -7.883 -5.818 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.068 -8.312 -5.285 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.874 -10.404 -5.680 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.113 -9.580 -4.152 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.582 -10.350 -4.235 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.154 -11.343 -5.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.859 -12.571 -3.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.360 -12.355 -4.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.775 -11.392 -2.958 1.00 0.00 H new ATOM 1310 N LYS B 13 -15.356 6.459 4.471 1.00 0.00 N ATOM 1311 CA LYS B 13 -15.116 7.011 3.109 1.00 0.00 C ATOM 1312 C LYS B 13 -13.639 6.863 2.732 1.00 0.00 C ATOM 1313 O LYS B 13 -12.814 6.493 3.544 1.00 0.00 O ATOM 1314 CB LYS B 13 -15.498 8.490 3.200 1.00 0.00 C ATOM 1315 CG LYS B 13 -15.254 9.010 4.620 1.00 0.00 C ATOM 1316 CD LYS B 13 -16.510 8.794 5.466 1.00 0.00 C ATOM 1317 CE LYS B 13 -17.531 9.891 5.155 1.00 0.00 C ATOM 1318 NZ LYS B 13 -17.941 10.424 6.483 1.00 0.00 N ATOM 0 HA LYS B 13 -15.695 6.489 2.347 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -14.912 9.070 2.486 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -16.546 8.620 2.932 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -14.407 8.491 5.068 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -14.999 10.069 4.592 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -16.938 7.814 5.256 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -16.255 8.810 6.526 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -17.093 10.673 4.534 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -18.386 9.491 4.609 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -18.641 11.182 6.352 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -18.360 9.659 7.050 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -17.108 10.804 6.977 1.00 0.00 H new ATOM 1332 N THR B 14 -13.300 7.153 1.505 1.00 0.00 N ATOM 1333 CA THR B 14 -11.884 7.036 1.069 1.00 0.00 C ATOM 1334 C THR B 14 -11.593 8.079 -0.009 1.00 0.00 C ATOM 1335 O THR B 14 -12.488 8.563 -0.672 1.00 0.00 O ATOM 1336 CB THR B 14 -11.764 5.631 0.491 1.00 0.00 C ATOM 1337 OG1 THR B 14 -13.053 5.158 0.125 1.00 0.00 O ATOM 1338 CG2 THR B 14 -11.152 4.696 1.534 1.00 0.00 C ATOM 0 H THR B 14 -13.949 7.468 0.784 1.00 0.00 H new ATOM 0 HA THR B 14 -11.180 7.201 1.884 1.00 0.00 H new ATOM 0 HB THR B 14 -11.123 5.656 -0.390 1.00 0.00 H new ATOM 0 HG1 THR B 14 -12.976 4.255 -0.248 1.00 0.00 H new ATOM 0 HG21 THR B 14 -11.068 3.692 1.118 1.00 0.00 H new ATOM 0 HG22 THR B 14 -10.162 5.058 1.811 1.00 0.00 H new ATOM 0 HG23 THR B 14 -11.789 4.670 2.418 1.00 0.00 H new ATOM 1346 N LEU B 15 -10.353 8.435 -0.191 1.00 0.00 N ATOM 1347 CA LEU B 15 -10.023 9.448 -1.225 1.00 0.00 C ATOM 1348 C LEU B 15 -9.390 8.784 -2.444 1.00 0.00 C ATOM 1349 O LEU B 15 -8.653 7.826 -2.323 1.00 0.00 O ATOM 1350 CB LEU B 15 -9.027 10.377 -0.546 1.00 0.00 C ATOM 1351 CG LEU B 15 -9.662 10.950 0.717 1.00 0.00 C ATOM 1352 CD1 LEU B 15 -9.380 10.022 1.900 1.00 0.00 C ATOM 1353 CD2 LEU B 15 -9.077 12.332 1.002 1.00 0.00 C ATOM 0 H LEU B 15 -9.557 8.068 0.331 1.00 0.00 H new ATOM 0 HA LEU B 15 -10.906 9.977 -1.583 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -8.116 9.834 -0.296 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -8.742 11.183 -1.223 1.00 0.00 H new ATOM 0 HG LEU B 15 -10.739 11.035 0.573 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -9.834 10.433 2.801 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -9.801 9.037 1.698 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -8.303 9.934 2.045 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -9.531 12.740 1.905 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -7.999 12.249 1.144 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -9.282 12.994 0.161 1.00 0.00 H new ATOM 1365 N PRO B 16 -9.700 9.329 -3.584 1.00 0.00 N ATOM 1366 CA PRO B 16 -9.157 8.805 -4.850 1.00 0.00 C ATOM 1367 C PRO B 16 -7.735 9.323 -5.039 1.00 0.00 C ATOM 1368 O PRO B 16 -6.966 8.800 -5.819 1.00 0.00 O ATOM 1369 CB PRO B 16 -10.092 9.383 -5.906 1.00 0.00 C ATOM 1370 CG PRO B 16 -10.668 10.623 -5.293 1.00 0.00 C ATOM 1371 CD PRO B 16 -10.578 10.483 -3.793 1.00 0.00 C ATOM 0 HA PRO B 16 -9.107 7.717 -4.893 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -9.552 9.613 -6.825 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -10.877 8.673 -6.167 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -10.120 11.504 -5.628 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -11.705 10.756 -5.602 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -10.167 11.382 -3.334 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -11.560 10.320 -3.350 1.00 0.00 H new ATOM 1379 N ARG B 17 -7.388 10.355 -4.324 1.00 0.00 N ATOM 1380 CA ARG B 17 -6.026 10.936 -4.447 1.00 0.00 C ATOM 1381 C ARG B 17 -5.773 11.887 -3.272 1.00 0.00 C ATOM 1382 O ARG B 17 -5.484 13.052 -3.457 1.00 0.00 O ATOM 1383 CB ARG B 17 -6.065 11.706 -5.766 1.00 0.00 C ATOM 1384 CG ARG B 17 -4.709 12.362 -6.012 1.00 0.00 C ATOM 1385 CD ARG B 17 -4.855 13.470 -7.059 1.00 0.00 C ATOM 1386 NE ARG B 17 -5.997 14.299 -6.585 1.00 0.00 N ATOM 1387 CZ ARG B 17 -5.996 14.782 -5.372 1.00 0.00 C ATOM 1388 NH1 ARG B 17 -4.893 15.257 -4.860 1.00 0.00 N ATOM 1389 NH2 ARG B 17 -7.097 14.790 -4.672 1.00 0.00 N ATOM 0 H ARG B 17 -7.997 10.824 -3.653 1.00 0.00 H new ATOM 0 HA ARG B 17 -5.233 10.188 -4.433 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -6.309 11.031 -6.586 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -6.847 12.464 -5.734 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -4.320 12.776 -5.082 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -3.990 11.617 -6.354 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -3.943 14.062 -7.137 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -5.052 13.055 -8.048 1.00 0.00 H new ATOM 0 HE ARG B 17 -6.781 14.490 -7.209 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -4.032 15.251 -5.408 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -4.892 15.634 -3.912 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -7.959 14.419 -5.072 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -7.096 15.167 -3.724 1.00 0.00 H new ATOM 1403 N VAL B 18 -5.886 11.400 -2.063 1.00 0.00 N ATOM 1404 CA VAL B 18 -5.654 12.283 -0.874 1.00 0.00 C ATOM 1405 C VAL B 18 -4.442 13.171 -1.122 1.00 0.00 C ATOM 1406 O VAL B 18 -3.723 12.983 -2.078 1.00 0.00 O ATOM 1407 CB VAL B 18 -5.402 11.331 0.300 1.00 0.00 C ATOM 1408 CG1 VAL B 18 -4.680 10.074 -0.192 1.00 0.00 C ATOM 1409 CG2 VAL B 18 -4.539 12.029 1.354 1.00 0.00 C ATOM 0 H VAL B 18 -6.128 10.433 -1.845 1.00 0.00 H new ATOM 0 HA VAL B 18 -6.500 12.941 -0.675 1.00 0.00 H new ATOM 0 HB VAL B 18 -6.359 11.049 0.739 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -4.505 9.403 0.649 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -5.295 9.569 -0.937 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -3.726 10.354 -0.638 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -4.362 11.349 2.187 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -3.585 12.317 0.911 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -5.054 12.919 1.715 1.00 0.00 H new ATOM 1419 N ASP B 19 -4.207 14.133 -0.264 1.00 0.00 N ATOM 1420 CA ASP B 19 -3.031 15.027 -0.448 1.00 0.00 C ATOM 1421 C ASP B 19 -1.871 14.194 -0.987 1.00 0.00 C ATOM 1422 O ASP B 19 -0.986 13.779 -0.266 1.00 0.00 O ATOM 1423 CB ASP B 19 -2.740 15.563 0.948 1.00 0.00 C ATOM 1424 CG ASP B 19 -1.836 16.791 0.852 1.00 0.00 C ATOM 1425 OD1 ASP B 19 -1.448 17.134 -0.253 1.00 0.00 O ATOM 1426 OD2 ASP B 19 -1.545 17.370 1.886 1.00 0.00 O ATOM 0 H ASP B 19 -4.781 14.335 0.555 1.00 0.00 H new ATOM 0 HA ASP B 19 -3.196 15.842 -1.153 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -3.672 15.824 1.449 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -2.259 14.792 1.551 1.00 0.00 H new ATOM 1431 N PHE B 20 -1.918 13.909 -2.254 1.00 0.00 N ATOM 1432 CA PHE B 20 -0.885 13.056 -2.891 1.00 0.00 C ATOM 1433 C PHE B 20 0.531 13.470 -2.519 1.00 0.00 C ATOM 1434 O PHE B 20 1.186 12.819 -1.732 1.00 0.00 O ATOM 1435 CB PHE B 20 -1.120 13.224 -4.384 1.00 0.00 C ATOM 1436 CG PHE B 20 -1.061 11.869 -5.010 1.00 0.00 C ATOM 1437 CD1 PHE B 20 -2.202 11.064 -5.041 1.00 0.00 C ATOM 1438 CD2 PHE B 20 0.143 11.404 -5.535 1.00 0.00 C ATOM 1439 CE1 PHE B 20 -2.140 9.791 -5.605 1.00 0.00 C ATOM 1440 CE2 PHE B 20 0.212 10.133 -6.095 1.00 0.00 C ATOM 1441 CZ PHE B 20 -0.935 9.322 -6.132 1.00 0.00 C ATOM 0 H PHE B 20 -2.645 14.239 -2.888 1.00 0.00 H new ATOM 0 HA PHE B 20 -0.971 12.022 -2.558 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -2.089 13.688 -4.568 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -0.365 13.879 -4.818 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -3.131 11.428 -4.628 1.00 0.00 H new ATOM 0 HD2 PHE B 20 1.022 12.030 -5.507 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -3.022 9.169 -5.634 1.00 0.00 H new ATOM 0 HE2 PHE B 20 1.145 9.770 -6.501 1.00 0.00 H new ATOM 0 HZ PHE B 20 -0.884 8.335 -6.568 1.00 0.00 H new ATOM 1451 N LYS B 21 1.025 14.518 -3.097 1.00 0.00 N ATOM 1452 CA LYS B 21 2.416 14.928 -2.784 1.00 0.00 C ATOM 1453 C LYS B 21 2.682 14.766 -1.283 1.00 0.00 C ATOM 1454 O LYS B 21 3.806 14.586 -0.857 1.00 0.00 O ATOM 1455 CB LYS B 21 2.511 16.397 -3.199 1.00 0.00 C ATOM 1456 CG LYS B 21 2.247 16.522 -4.701 1.00 0.00 C ATOM 1457 CD LYS B 21 1.221 17.629 -4.949 1.00 0.00 C ATOM 1458 CE LYS B 21 1.168 17.952 -6.444 1.00 0.00 C ATOM 1459 NZ LYS B 21 0.806 16.667 -7.102 1.00 0.00 N ATOM 0 H LYS B 21 0.532 15.107 -3.768 1.00 0.00 H new ATOM 0 HA LYS B 21 3.154 14.320 -3.307 1.00 0.00 H new ATOM 0 HB2 LYS B 21 1.787 16.991 -2.641 1.00 0.00 H new ATOM 0 HB3 LYS B 21 3.499 16.791 -2.959 1.00 0.00 H new ATOM 0 HG2 LYS B 21 3.175 16.747 -5.226 1.00 0.00 H new ATOM 0 HG3 LYS B 21 1.879 15.575 -5.096 1.00 0.00 H new ATOM 0 HD2 LYS B 21 0.238 17.313 -4.600 1.00 0.00 H new ATOM 0 HD3 LYS B 21 1.489 18.521 -4.383 1.00 0.00 H new ATOM 0 HE2 LYS B 21 0.429 18.725 -6.655 1.00 0.00 H new ATOM 0 HE3 LYS B 21 2.129 18.322 -6.802 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 0.408 16.859 -8.043 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 1.656 16.076 -7.200 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 0.101 16.167 -6.523 1.00 0.00 H new ATOM 1473 N ASN B 22 1.652 14.820 -0.478 1.00 0.00 N ATOM 1474 CA ASN B 22 1.839 14.660 0.990 1.00 0.00 C ATOM 1475 C ASN B 22 1.902 13.180 1.355 1.00 0.00 C ATOM 1476 O ASN B 22 2.569 12.785 2.290 1.00 0.00 O ATOM 1477 CB ASN B 22 0.601 15.295 1.607 1.00 0.00 C ATOM 1478 CG ASN B 22 1.014 16.258 2.721 1.00 0.00 C ATOM 1479 OD1 ASN B 22 2.165 16.635 2.819 1.00 0.00 O ATOM 1480 ND2 ASN B 22 0.117 16.674 3.573 1.00 0.00 N ATOM 0 H ASN B 22 0.688 14.968 -0.778 1.00 0.00 H new ATOM 0 HA ASN B 22 2.763 15.119 1.342 1.00 0.00 H new ATOM 0 HB2 ASN B 22 0.036 15.829 0.843 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -0.055 14.522 2.007 1.00 0.00 H new ATOM 0 HD21 ASN B 22 0.382 17.315 4.321 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -0.849 16.358 3.491 1.00 0.00 H new ATOM 1487 N ILE B 23 1.196 12.360 0.626 1.00 0.00 N ATOM 1488 CA ILE B 23 1.194 10.904 0.927 1.00 0.00 C ATOM 1489 C ILE B 23 2.594 10.445 1.352 1.00 0.00 C ATOM 1490 O ILE B 23 3.507 10.367 0.553 1.00 0.00 O ATOM 1491 CB ILE B 23 0.747 10.228 -0.378 1.00 0.00 C ATOM 1492 CG1 ILE B 23 -0.582 9.509 -0.143 1.00 0.00 C ATOM 1493 CG2 ILE B 23 1.793 9.214 -0.842 1.00 0.00 C ATOM 1494 CD1 ILE B 23 -1.669 10.538 0.160 1.00 0.00 C ATOM 0 H ILE B 23 0.619 12.639 -0.168 1.00 0.00 H new ATOM 0 HA ILE B 23 0.530 10.648 1.753 1.00 0.00 H new ATOM 0 HB ILE B 23 0.630 10.991 -1.148 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -0.853 8.926 -1.023 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -0.487 8.809 0.687 1.00 0.00 H new ATOM 0 HG21 ILE B 23 1.460 8.745 -1.768 1.00 0.00 H new ATOM 0 HG22 ILE B 23 2.742 9.723 -1.014 1.00 0.00 H new ATOM 0 HG23 ILE B 23 1.925 8.450 -0.075 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -2.617 10.027 0.328 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -1.398 11.102 1.053 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -1.769 11.221 -0.684 1.00 0.00 H new ATOM 1506 N GLN B 24 2.762 10.143 2.608 1.00 0.00 N ATOM 1507 CA GLN B 24 4.098 9.686 3.096 1.00 0.00 C ATOM 1508 C GLN B 24 4.081 8.173 3.320 1.00 0.00 C ATOM 1509 O GLN B 24 5.075 7.574 3.682 1.00 0.00 O ATOM 1510 CB GLN B 24 4.314 10.424 4.418 1.00 0.00 C ATOM 1511 CG GLN B 24 5.638 11.189 4.364 1.00 0.00 C ATOM 1512 CD GLN B 24 6.759 10.308 4.920 1.00 0.00 C ATOM 1513 OE1 GLN B 24 6.765 9.978 6.089 1.00 0.00 O ATOM 1514 NE2 GLN B 24 7.714 9.911 4.125 1.00 0.00 N ATOM 0 H GLN B 24 2.034 10.192 3.320 1.00 0.00 H new ATOM 0 HA GLN B 24 4.895 9.895 2.382 1.00 0.00 H new ATOM 0 HB2 GLN B 24 3.490 11.114 4.601 1.00 0.00 H new ATOM 0 HB3 GLN B 24 4.325 9.715 5.245 1.00 0.00 H new ATOM 0 HG2 GLN B 24 5.862 11.477 3.337 1.00 0.00 H new ATOM 0 HG3 GLN B 24 5.563 12.109 4.944 1.00 0.00 H new ATOM 0 HE21 GLN B 24 7.709 10.188 3.143 1.00 0.00 H new ATOM 0 HE22 GLN B 24 8.466 9.323 4.485 1.00 0.00 H new ATOM 1523 N SER B 25 2.958 7.554 3.100 1.00 0.00 N ATOM 1524 CA SER B 25 2.858 6.080 3.289 1.00 0.00 C ATOM 1525 C SER B 25 1.522 5.590 2.733 1.00 0.00 C ATOM 1526 O SER B 25 0.519 6.264 2.830 1.00 0.00 O ATOM 1527 CB SER B 25 2.929 5.863 4.799 1.00 0.00 C ATOM 1528 OG SER B 25 1.611 5.758 5.320 1.00 0.00 O ATOM 0 H SER B 25 2.097 8.008 2.795 1.00 0.00 H new ATOM 0 HA SER B 25 3.647 5.534 2.773 1.00 0.00 H new ATOM 0 HB2 SER B 25 3.494 4.958 5.022 1.00 0.00 H new ATOM 0 HB3 SER B 25 3.455 6.692 5.273 1.00 0.00 H new ATOM 0 HG SER B 25 1.653 5.617 6.289 1.00 0.00 H new ATOM 1534 N LEU B 26 1.493 4.431 2.143 1.00 0.00 N ATOM 1535 CA LEU B 26 0.207 3.930 1.582 1.00 0.00 C ATOM 1536 C LEU B 26 -0.041 2.487 2.020 1.00 0.00 C ATOM 1537 O LEU B 26 0.864 1.793 2.433 1.00 0.00 O ATOM 1538 CB LEU B 26 0.375 4.000 0.062 1.00 0.00 C ATOM 1539 CG LEU B 26 1.191 5.238 -0.313 1.00 0.00 C ATOM 1540 CD1 LEU B 26 1.255 5.368 -1.836 1.00 0.00 C ATOM 1541 CD2 LEU B 26 0.523 6.481 0.276 1.00 0.00 C ATOM 0 H LEU B 26 2.295 3.812 2.024 1.00 0.00 H new ATOM 0 HA LEU B 26 -0.642 4.519 1.928 1.00 0.00 H new ATOM 0 HB2 LEU B 26 0.874 3.101 -0.300 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -0.602 4.038 -0.420 1.00 0.00 H new ATOM 0 HG LEU B 26 2.201 5.142 0.084 1.00 0.00 H new ATOM 0 HD11 LEU B 26 1.837 6.251 -2.102 1.00 0.00 H new ATOM 0 HD12 LEU B 26 1.728 4.481 -2.257 1.00 0.00 H new ATOM 0 HD13 LEU B 26 0.246 5.465 -2.236 1.00 0.00 H new ATOM 0 HD21 LEU B 26 1.102 7.366 0.011 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.487 6.575 -0.123 1.00 0.00 H new ATOM 0 HD23 LEU B 26 0.477 6.390 1.361 1.00 0.00 H new ATOM 1553 N SER B 27 -1.263 2.035 1.925 1.00 0.00 N ATOM 1554 CA SER B 27 -1.582 0.635 2.323 1.00 0.00 C ATOM 1555 C SER B 27 -2.797 0.139 1.535 1.00 0.00 C ATOM 1556 O SER B 27 -3.665 0.906 1.174 1.00 0.00 O ATOM 1557 CB SER B 27 -1.895 0.701 3.817 1.00 0.00 C ATOM 1558 OG SER B 27 -1.117 -0.272 4.501 1.00 0.00 O ATOM 0 H SER B 27 -2.057 2.579 1.587 1.00 0.00 H new ATOM 0 HA SER B 27 -0.762 -0.053 2.118 1.00 0.00 H new ATOM 0 HB2 SER B 27 -1.676 1.696 4.203 1.00 0.00 H new ATOM 0 HB3 SER B 27 -2.956 0.520 3.987 1.00 0.00 H new ATOM 0 HG SER B 27 -0.197 0.053 4.596 1.00 0.00 H new ATOM 1564 N VAL B 28 -2.865 -1.133 1.252 1.00 0.00 N ATOM 1565 CA VAL B 28 -4.029 -1.651 0.476 1.00 0.00 C ATOM 1566 C VAL B 28 -4.560 -2.947 1.095 1.00 0.00 C ATOM 1567 O VAL B 28 -3.859 -3.933 1.191 1.00 0.00 O ATOM 1568 CB VAL B 28 -3.479 -1.913 -0.926 1.00 0.00 C ATOM 1569 CG1 VAL B 28 -4.449 -2.808 -1.699 1.00 0.00 C ATOM 1570 CG2 VAL B 28 -3.317 -0.582 -1.665 1.00 0.00 C ATOM 0 H VAL B 28 -2.172 -1.831 1.521 1.00 0.00 H new ATOM 0 HA VAL B 28 -4.861 -0.947 0.468 1.00 0.00 H new ATOM 0 HB VAL B 28 -2.512 -2.409 -0.849 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -4.055 -2.994 -2.698 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.567 -3.756 -1.174 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -5.417 -2.313 -1.777 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -2.925 -0.767 -2.665 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -4.285 -0.088 -1.740 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -2.625 0.057 -1.116 1.00 0.00 H new ATOM 1580 N THR B 29 -5.798 -2.953 1.506 1.00 0.00 N ATOM 1581 CA THR B 29 -6.379 -4.187 2.106 1.00 0.00 C ATOM 1582 C THR B 29 -7.627 -4.599 1.323 1.00 0.00 C ATOM 1583 O THR B 29 -8.455 -3.773 0.995 1.00 0.00 O ATOM 1584 CB THR B 29 -6.742 -3.801 3.542 1.00 0.00 C ATOM 1585 OG1 THR B 29 -7.290 -4.930 4.209 1.00 0.00 O ATOM 1586 CG2 THR B 29 -7.766 -2.667 3.525 1.00 0.00 C ATOM 0 H THR B 29 -6.433 -2.156 1.452 1.00 0.00 H new ATOM 0 HA THR B 29 -5.689 -5.031 2.081 1.00 0.00 H new ATOM 0 HB THR B 29 -5.847 -3.468 4.067 1.00 0.00 H new ATOM 0 HG1 THR B 29 -7.522 -4.686 5.129 1.00 0.00 H new ATOM 0 HG21 THR B 29 -8.023 -2.394 4.548 1.00 0.00 H new ATOM 0 HG22 THR B 29 -7.343 -1.802 3.014 1.00 0.00 H new ATOM 0 HG23 THR B 29 -8.664 -2.995 3.001 1.00 0.00 H new ATOM 1594 N PRO B 30 -7.710 -5.868 1.037 1.00 0.00 N ATOM 1595 CA PRO B 30 -8.861 -6.400 0.267 1.00 0.00 C ATOM 1596 C PRO B 30 -10.132 -6.415 1.120 1.00 0.00 C ATOM 1597 O PRO B 30 -10.117 -6.019 2.268 1.00 0.00 O ATOM 1598 CB PRO B 30 -8.422 -7.820 -0.090 1.00 0.00 C ATOM 1599 CG PRO B 30 -7.417 -8.190 0.953 1.00 0.00 C ATOM 1600 CD PRO B 30 -6.751 -6.915 1.401 1.00 0.00 C ATOM 0 HA PRO B 30 -9.103 -5.797 -0.608 1.00 0.00 H new ATOM 0 HB2 PRO B 30 -9.268 -8.507 -0.084 1.00 0.00 H new ATOM 0 HB3 PRO B 30 -7.987 -7.859 -1.089 1.00 0.00 H new ATOM 0 HG2 PRO B 30 -7.900 -8.688 1.794 1.00 0.00 H new ATOM 0 HG3 PRO B 30 -6.682 -8.887 0.550 1.00 0.00 H new ATOM 0 HD2 PRO B 30 -6.556 -6.922 2.473 1.00 0.00 H new ATOM 0 HD3 PRO B 30 -5.792 -6.769 0.903 1.00 0.00 H new ATOM 1608 N PRO B 31 -11.199 -6.868 0.515 1.00 0.00 N ATOM 1609 CA PRO B 31 -12.508 -6.933 1.211 1.00 0.00 C ATOM 1610 C PRO B 31 -12.501 -7.993 2.311 1.00 0.00 C ATOM 1611 O PRO B 31 -12.181 -9.143 2.083 1.00 0.00 O ATOM 1612 CB PRO B 31 -13.487 -7.310 0.102 1.00 0.00 C ATOM 1613 CG PRO B 31 -12.650 -7.998 -0.927 1.00 0.00 C ATOM 1614 CD PRO B 31 -11.288 -7.362 -0.866 1.00 0.00 C ATOM 0 HA PRO B 31 -12.764 -5.997 1.707 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -14.274 -7.966 0.475 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -13.976 -6.428 -0.311 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -12.588 -9.067 -0.725 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -13.086 -7.886 -1.920 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -10.499 -8.081 -1.086 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -11.191 -6.552 -1.589 1.00 0.00 H new ATOM 1697 N THR B 38 -12.756 -3.440 -1.690 1.00 0.00 N ATOM 1698 CA THR B 38 -11.305 -3.153 -1.479 1.00 0.00 C ATOM 1699 C THR B 38 -11.131 -1.780 -0.828 1.00 0.00 C ATOM 1700 O THR B 38 -11.820 -0.836 -1.158 1.00 0.00 O ATOM 1701 CB THR B 38 -10.686 -3.164 -2.879 1.00 0.00 C ATOM 1702 OG1 THR B 38 -11.680 -3.508 -3.835 1.00 0.00 O ATOM 1703 CG2 THR B 38 -9.547 -4.185 -2.932 1.00 0.00 C ATOM 0 HA THR B 38 -10.832 -3.882 -0.821 1.00 0.00 H new ATOM 0 HB THR B 38 -10.291 -2.174 -3.107 1.00 0.00 H new ATOM 0 HG1 THR B 38 -12.470 -3.860 -3.374 1.00 0.00 H new ATOM 0 HG21 THR B 38 -9.109 -4.190 -3.930 1.00 0.00 H new ATOM 0 HG22 THR B 38 -8.783 -3.917 -2.202 1.00 0.00 H new ATOM 0 HG23 THR B 38 -9.936 -5.177 -2.702 1.00 0.00 H new ATOM 1711 N GLU B 39 -10.217 -1.659 0.094 1.00 0.00 N ATOM 1712 CA GLU B 39 -10.010 -0.342 0.761 1.00 0.00 C ATOM 1713 C GLU B 39 -8.519 -0.011 0.842 1.00 0.00 C ATOM 1714 O GLU B 39 -7.678 -0.888 0.826 1.00 0.00 O ATOM 1715 CB GLU B 39 -10.599 -0.507 2.159 1.00 0.00 C ATOM 1716 CG GLU B 39 -11.136 0.839 2.635 1.00 0.00 C ATOM 1717 CD GLU B 39 -10.641 1.120 4.055 1.00 0.00 C ATOM 1718 OE1 GLU B 39 -11.323 0.730 4.987 1.00 0.00 O ATOM 1719 OE2 GLU B 39 -9.588 1.722 4.184 1.00 0.00 O ATOM 0 H GLU B 39 -9.607 -2.411 0.414 1.00 0.00 H new ATOM 0 HA GLU B 39 -10.483 0.473 0.213 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -11.399 -1.248 2.145 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -9.837 -0.873 2.847 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -10.807 1.631 1.962 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -12.226 0.834 2.614 1.00 0.00 H new ATOM 1726 N VAL B 40 -8.182 1.249 0.921 1.00 0.00 N ATOM 1727 CA VAL B 40 -6.741 1.625 0.992 1.00 0.00 C ATOM 1728 C VAL B 40 -6.462 2.503 2.216 1.00 0.00 C ATOM 1729 O VAL B 40 -7.358 3.061 2.817 1.00 0.00 O ATOM 1730 CB VAL B 40 -6.483 2.414 -0.289 1.00 0.00 C ATOM 1731 CG1 VAL B 40 -5.047 2.938 -0.294 1.00 0.00 C ATOM 1732 CG2 VAL B 40 -6.693 1.502 -1.495 1.00 0.00 C ATOM 0 H VAL B 40 -8.838 2.030 0.939 1.00 0.00 H new ATOM 0 HA VAL B 40 -6.098 0.750 1.084 1.00 0.00 H new ATOM 0 HB VAL B 40 -7.174 3.256 -0.339 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -4.868 3.500 -1.210 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -4.894 3.589 0.567 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -4.353 2.099 -0.242 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -6.509 2.063 -2.412 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -6.002 0.661 -1.440 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -7.718 1.130 -1.496 1.00 0.00 H new ATOM 1742 N ILE B 41 -5.214 2.638 2.567 1.00 0.00 N ATOM 1743 CA ILE B 41 -4.835 3.490 3.729 1.00 0.00 C ATOM 1744 C ILE B 41 -3.583 4.283 3.362 1.00 0.00 C ATOM 1745 O ILE B 41 -2.669 3.757 2.764 1.00 0.00 O ATOM 1746 CB ILE B 41 -4.526 2.519 4.868 1.00 0.00 C ATOM 1747 CG1 ILE B 41 -5.477 1.322 4.806 1.00 0.00 C ATOM 1748 CG2 ILE B 41 -4.698 3.239 6.207 1.00 0.00 C ATOM 1749 CD1 ILE B 41 -6.911 1.796 5.039 1.00 0.00 C ATOM 0 H ILE B 41 -4.431 2.189 2.093 1.00 0.00 H new ATOM 0 HA ILE B 41 -5.619 4.193 4.010 1.00 0.00 H new ATOM 0 HB ILE B 41 -3.500 2.164 4.770 1.00 0.00 H new ATOM 0 HG12 ILE B 41 -5.398 0.832 3.836 1.00 0.00 H new ATOM 0 HG13 ILE B 41 -5.200 0.585 5.559 1.00 0.00 H new ATOM 0 HG21 ILE B 41 -4.478 2.549 7.022 1.00 0.00 H new ATOM 0 HG22 ILE B 41 -4.014 4.087 6.255 1.00 0.00 H new ATOM 0 HG23 ILE B 41 -5.724 3.595 6.300 1.00 0.00 H new ATOM 0 HD11 ILE B 41 -7.588 0.943 4.995 1.00 0.00 H new ATOM 0 HD12 ILE B 41 -6.984 2.267 6.020 1.00 0.00 H new ATOM 0 HD13 ILE B 41 -7.185 2.517 4.269 1.00 0.00 H new ATOM 1761 N ALA B 42 -3.521 5.538 3.693 1.00 0.00 N ATOM 1762 CA ALA B 42 -2.308 6.316 3.324 1.00 0.00 C ATOM 1763 C ALA B 42 -2.060 7.458 4.310 1.00 0.00 C ATOM 1764 O ALA B 42 -2.977 8.058 4.831 1.00 0.00 O ATOM 1765 CB ALA B 42 -2.612 6.875 1.935 1.00 0.00 C ATOM 0 H ALA B 42 -4.244 6.054 4.195 1.00 0.00 H new ATOM 0 HA ALA B 42 -1.412 5.696 3.341 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -1.764 7.465 1.587 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -2.791 6.052 1.243 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -3.499 7.507 1.983 1.00 0.00 H new ATOM 1771 N THR B 43 -0.816 7.773 4.545 1.00 0.00 N ATOM 1772 CA THR B 43 -0.486 8.889 5.473 1.00 0.00 C ATOM 1773 C THR B 43 0.060 10.059 4.659 1.00 0.00 C ATOM 1774 O THR B 43 0.585 9.879 3.580 1.00 0.00 O ATOM 1775 CB THR B 43 0.589 8.337 6.412 1.00 0.00 C ATOM 1776 OG1 THR B 43 -0.021 7.516 7.397 1.00 0.00 O ATOM 1777 CG2 THR B 43 1.320 9.498 7.092 1.00 0.00 C ATOM 0 H THR B 43 -0.011 7.303 4.132 1.00 0.00 H new ATOM 0 HA THR B 43 -1.351 9.244 6.033 1.00 0.00 H new ATOM 0 HB THR B 43 1.304 7.746 5.839 1.00 0.00 H new ATOM 0 HG1 THR B 43 0.582 7.422 8.164 1.00 0.00 H new ATOM 0 HG21 THR B 43 2.085 9.104 7.761 1.00 0.00 H new ATOM 0 HG22 THR B 43 1.788 10.127 6.335 1.00 0.00 H new ATOM 0 HG23 THR B 43 0.607 10.091 7.665 1.00 0.00 H new ATOM 1785 N LEU B 44 -0.077 11.255 5.150 1.00 0.00 N ATOM 1786 CA LEU B 44 0.415 12.426 4.379 1.00 0.00 C ATOM 1787 C LEU B 44 1.649 13.043 5.037 1.00 0.00 C ATOM 1788 O LEU B 44 2.048 12.661 6.120 1.00 0.00 O ATOM 1789 CB LEU B 44 -0.752 13.399 4.419 1.00 0.00 C ATOM 1790 CG LEU B 44 -2.022 12.678 3.976 1.00 0.00 C ATOM 1791 CD1 LEU B 44 -3.214 13.618 4.123 1.00 0.00 C ATOM 1792 CD2 LEU B 44 -1.884 12.252 2.514 1.00 0.00 C ATOM 0 H LEU B 44 -0.507 11.473 6.049 1.00 0.00 H new ATOM 0 HA LEU B 44 0.718 12.161 3.366 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -0.877 13.794 5.427 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -0.555 14.249 3.765 1.00 0.00 H new ATOM 0 HG LEU B 44 -2.176 11.795 4.597 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -4.123 13.105 3.807 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -3.312 13.921 5.165 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -3.060 14.500 3.502 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -2.791 11.737 2.198 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -1.731 13.133 1.891 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -1.031 11.581 2.409 1.00 0.00 H new ATOM 1804 N LYS B 45 2.257 13.998 4.384 1.00 0.00 N ATOM 1805 CA LYS B 45 3.466 14.644 4.965 1.00 0.00 C ATOM 1806 C LYS B 45 3.058 15.763 5.924 1.00 0.00 C ATOM 1807 O LYS B 45 2.429 16.728 5.537 1.00 0.00 O ATOM 1808 CB LYS B 45 4.227 15.214 3.766 1.00 0.00 C ATOM 1809 CG LYS B 45 5.644 14.638 3.738 1.00 0.00 C ATOM 1810 CD LYS B 45 6.660 15.782 3.713 1.00 0.00 C ATOM 1811 CE LYS B 45 6.365 16.702 2.527 1.00 0.00 C ATOM 1812 NZ LYS B 45 7.026 16.051 1.362 1.00 0.00 N ATOM 0 H LYS B 45 1.967 14.357 3.474 1.00 0.00 H new ATOM 0 HA LYS B 45 4.074 13.943 5.537 1.00 0.00 H new ATOM 0 HB2 LYS B 45 3.705 14.969 2.841 1.00 0.00 H new ATOM 0 HB3 LYS B 45 4.267 16.301 3.831 1.00 0.00 H new ATOM 0 HG2 LYS B 45 5.810 14.009 4.613 1.00 0.00 H new ATOM 0 HG3 LYS B 45 5.773 14.004 2.861 1.00 0.00 H new ATOM 0 HD2 LYS B 45 6.612 16.346 4.645 1.00 0.00 H new ATOM 0 HD3 LYS B 45 7.671 15.383 3.634 1.00 0.00 H new ATOM 0 HE2 LYS B 45 5.292 16.806 2.365 1.00 0.00 H new ATOM 0 HE3 LYS B 45 6.760 17.704 2.696 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 6.883 16.633 0.512 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 8.045 15.956 1.549 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 6.613 15.109 1.210 1.00 0.00 H new ATOM 1826 N GLY B 46 3.410 15.641 7.174 1.00 0.00 N ATOM 1827 CA GLY B 46 3.043 16.695 8.156 1.00 0.00 C ATOM 1828 C GLY B 46 2.323 16.055 9.344 1.00 0.00 C ATOM 1829 O GLY B 46 2.350 16.567 10.445 1.00 0.00 O ATOM 0 H GLY B 46 3.936 14.856 7.556 1.00 0.00 H new ATOM 0 HA2 GLY B 46 3.937 17.217 8.497 1.00 0.00 H new ATOM 0 HA3 GLY B 46 2.400 17.438 7.685 1.00 0.00 H new ATOM 1833 N GLY B 47 1.677 14.940 9.131 1.00 0.00 N ATOM 1834 CA GLY B 47 0.959 14.273 10.250 1.00 0.00 C ATOM 1835 C GLY B 47 -0.540 14.262 9.955 1.00 0.00 C ATOM 1836 O GLY B 47 -1.306 15.001 10.541 1.00 0.00 O ATOM 0 H GLY B 47 1.617 14.464 8.231 1.00 0.00 H new ATOM 0 HA2 GLY B 47 1.324 13.254 10.375 1.00 0.00 H new ATOM 0 HA3 GLY B 47 1.153 14.798 11.185 1.00 0.00 H new ATOM 1840 N GLN B 48 -0.960 13.426 9.052 1.00 0.00 N ATOM 1841 CA GLN B 48 -2.405 13.354 8.708 1.00 0.00 C ATOM 1842 C GLN B 48 -2.652 12.155 7.795 1.00 0.00 C ATOM 1843 O GLN B 48 -2.390 12.200 6.610 1.00 0.00 O ATOM 1844 CB GLN B 48 -2.707 14.662 7.977 1.00 0.00 C ATOM 1845 CG GLN B 48 -4.017 14.524 7.198 1.00 0.00 C ATOM 1846 CD GLN B 48 -4.327 15.840 6.484 1.00 0.00 C ATOM 1847 OE1 GLN B 48 -3.428 16.568 6.111 1.00 0.00 O ATOM 1848 NE2 GLN B 48 -5.569 16.180 6.277 1.00 0.00 N ATOM 0 H GLN B 48 -0.361 12.784 8.533 1.00 0.00 H new ATOM 0 HA GLN B 48 -3.041 13.230 9.585 1.00 0.00 H new ATOM 0 HB2 GLN B 48 -2.782 15.481 8.692 1.00 0.00 H new ATOM 0 HB3 GLN B 48 -1.891 14.907 7.296 1.00 0.00 H new ATOM 0 HG2 GLN B 48 -3.937 13.714 6.473 1.00 0.00 H new ATOM 0 HG3 GLN B 48 -4.830 14.266 7.876 1.00 0.00 H new ATOM 0 HE21 GLN B 48 -6.324 15.569 6.590 1.00 0.00 H new ATOM 0 HE22 GLN B 48 -5.785 17.056 5.802 1.00 0.00 H new ATOM 1857 N LYS B 49 -3.137 11.078 8.341 1.00 0.00 N ATOM 1858 CA LYS B 49 -3.383 9.870 7.507 1.00 0.00 C ATOM 1859 C LYS B 49 -4.875 9.640 7.315 1.00 0.00 C ATOM 1860 O LYS B 49 -5.709 10.276 7.928 1.00 0.00 O ATOM 1861 CB LYS B 49 -2.774 8.719 8.299 1.00 0.00 C ATOM 1862 CG LYS B 49 -3.186 7.374 7.693 1.00 0.00 C ATOM 1863 CD LYS B 49 -2.643 6.238 8.563 1.00 0.00 C ATOM 1864 CE LYS B 49 -1.542 5.492 7.804 1.00 0.00 C ATOM 1865 NZ LYS B 49 -1.887 4.050 7.953 1.00 0.00 N ATOM 0 H LYS B 49 -3.374 10.981 9.328 1.00 0.00 H new ATOM 0 HA LYS B 49 -2.949 9.969 6.512 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -1.687 8.806 8.301 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -3.100 8.772 9.338 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -4.272 7.309 7.627 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -2.799 7.286 6.678 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -2.248 6.638 9.497 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -3.447 5.551 8.826 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -1.516 5.786 6.755 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -0.558 5.708 8.220 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -1.404 3.662 8.789 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -2.916 3.949 8.069 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -1.582 3.531 7.105 1.00 0.00 H new ATOM 1879 N VAL B 50 -5.202 8.726 6.460 1.00 0.00 N ATOM 1880 CA VAL B 50 -6.638 8.420 6.194 1.00 0.00 C ATOM 1881 C VAL B 50 -6.765 7.161 5.329 1.00 0.00 C ATOM 1882 O VAL B 50 -5.831 6.399 5.184 1.00 0.00 O ATOM 1883 CB VAL B 50 -7.168 9.650 5.449 1.00 0.00 C ATOM 1884 CG1 VAL B 50 -6.892 9.507 3.950 1.00 0.00 C ATOM 1885 CG2 VAL B 50 -8.675 9.777 5.680 1.00 0.00 C ATOM 0 H VAL B 50 -4.536 8.168 5.925 1.00 0.00 H new ATOM 0 HA VAL B 50 -7.198 8.225 7.109 1.00 0.00 H new ATOM 0 HB VAL B 50 -6.665 10.541 5.824 1.00 0.00 H new ATOM 0 HG11 VAL B 50 -7.271 10.384 3.425 1.00 0.00 H new ATOM 0 HG12 VAL B 50 -5.818 9.421 3.784 1.00 0.00 H new ATOM 0 HG13 VAL B 50 -7.390 8.614 3.572 1.00 0.00 H new ATOM 0 HG21 VAL B 50 -9.052 10.652 5.150 1.00 0.00 H new ATOM 0 HG22 VAL B 50 -9.177 8.884 5.308 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -8.872 9.886 6.747 1.00 0.00 H new ATOM 1895 N CYS B 51 -7.913 6.948 4.744 1.00 0.00 N ATOM 1896 CA CYS B 51 -8.102 5.749 3.879 1.00 0.00 C ATOM 1897 C CYS B 51 -8.212 6.189 2.419 1.00 0.00 C ATOM 1898 O CYS B 51 -8.645 7.286 2.127 1.00 0.00 O ATOM 1899 CB CYS B 51 -9.408 5.113 4.359 1.00 0.00 C ATOM 1900 SG CYS B 51 -9.052 3.946 5.698 1.00 0.00 S ATOM 0 H CYS B 51 -8.729 7.554 4.828 1.00 0.00 H new ATOM 0 HA CYS B 51 -7.272 5.046 3.942 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -10.095 5.885 4.707 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -9.899 4.598 3.534 1.00 0.00 H new ATOM 0 HG CYS B 51 -9.327 2.738 5.305 1.00 0.00 H new ATOM 1905 N LEU B 52 -7.794 5.364 1.499 1.00 0.00 N ATOM 1906 CA LEU B 52 -7.846 5.763 0.078 1.00 0.00 C ATOM 1907 C LEU B 52 -8.908 4.975 -0.691 1.00 0.00 C ATOM 1908 O LEU B 52 -9.434 3.981 -0.222 1.00 0.00 O ATOM 1909 CB LEU B 52 -6.451 5.428 -0.423 1.00 0.00 C ATOM 1910 CG LEU B 52 -5.758 6.701 -0.897 1.00 0.00 C ATOM 1911 CD1 LEU B 52 -4.243 6.504 -0.837 1.00 0.00 C ATOM 1912 CD2 LEU B 52 -6.178 7.010 -2.335 1.00 0.00 C ATOM 0 H LEU B 52 -7.420 4.432 1.677 1.00 0.00 H new ATOM 0 HA LEU B 52 -8.116 6.810 -0.057 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -5.871 4.961 0.372 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -6.510 4.708 -1.240 1.00 0.00 H new ATOM 0 HG LEU B 52 -6.044 7.533 -0.253 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -3.744 7.412 -1.175 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -3.945 6.287 0.189 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -3.958 5.672 -1.482 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -5.681 7.920 -2.671 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -5.894 6.181 -2.983 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -7.258 7.149 -2.377 1.00 0.00 H new ATOM 1924 N ASP B 53 -9.217 5.434 -1.877 1.00 0.00 N ATOM 1925 CA ASP B 53 -10.242 4.768 -2.735 1.00 0.00 C ATOM 1926 C ASP B 53 -10.025 3.250 -2.791 1.00 0.00 C ATOM 1927 O ASP B 53 -9.317 2.691 -1.978 1.00 0.00 O ATOM 1928 CB ASP B 53 -10.022 5.392 -4.112 1.00 0.00 C ATOM 1929 CG ASP B 53 -11.331 6.003 -4.616 1.00 0.00 C ATOM 1930 OD1 ASP B 53 -11.980 6.686 -3.841 1.00 0.00 O ATOM 1931 OD2 ASP B 53 -11.661 5.778 -5.769 1.00 0.00 O ATOM 0 H ASP B 53 -8.792 6.261 -2.295 1.00 0.00 H new ATOM 0 HA ASP B 53 -11.254 4.909 -2.356 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -9.250 6.159 -4.055 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -9.669 4.635 -4.813 1.00 0.00 H new ATOM 1936 N PRO B 54 -10.650 2.628 -3.760 1.00 0.00 N ATOM 1937 CA PRO B 54 -10.531 1.165 -3.923 1.00 0.00 C ATOM 1938 C PRO B 54 -9.291 0.858 -4.756 1.00 0.00 C ATOM 1939 O PRO B 54 -9.364 0.694 -5.957 1.00 0.00 O ATOM 1940 CB PRO B 54 -11.805 0.792 -4.672 1.00 0.00 C ATOM 1941 CG PRO B 54 -12.227 2.035 -5.405 1.00 0.00 C ATOM 1942 CD PRO B 54 -11.513 3.219 -4.791 1.00 0.00 C ATOM 0 HA PRO B 54 -10.427 0.616 -2.987 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -11.625 -0.029 -5.366 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -12.582 0.462 -3.982 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -11.982 1.952 -6.464 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -13.307 2.167 -5.337 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -10.930 3.761 -5.535 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -12.219 3.929 -4.360 1.00 0.00 H new ATOM 1950 N GLU B 55 -8.147 0.817 -4.136 1.00 0.00 N ATOM 1951 CA GLU B 55 -6.906 0.569 -4.912 1.00 0.00 C ATOM 1952 C GLU B 55 -6.723 1.743 -5.867 1.00 0.00 C ATOM 1953 O GLU B 55 -6.037 1.656 -6.864 1.00 0.00 O ATOM 1954 CB GLU B 55 -7.152 -0.731 -5.680 1.00 0.00 C ATOM 1955 CG GLU B 55 -7.759 -1.775 -4.740 1.00 0.00 C ATOM 1956 CD GLU B 55 -9.060 -2.311 -5.338 1.00 0.00 C ATOM 1957 OE1 GLU B 55 -9.955 -1.515 -5.570 1.00 0.00 O ATOM 1958 OE2 GLU B 55 -9.140 -3.509 -5.555 1.00 0.00 O ATOM 0 H GLU B 55 -8.019 0.944 -3.132 1.00 0.00 H new ATOM 0 HA GLU B 55 -6.012 0.480 -4.294 1.00 0.00 H new ATOM 0 HB2 GLU B 55 -7.823 -0.548 -6.519 1.00 0.00 H new ATOM 0 HB3 GLU B 55 -6.215 -1.102 -6.096 1.00 0.00 H new ATOM 0 HG2 GLU B 55 -7.055 -2.592 -4.585 1.00 0.00 H new ATOM 0 HG3 GLU B 55 -7.952 -1.331 -3.763 1.00 0.00 H new ATOM 1965 N ALA B 56 -7.363 2.844 -5.564 1.00 0.00 N ATOM 1966 CA ALA B 56 -7.266 4.036 -6.444 1.00 0.00 C ATOM 1967 C ALA B 56 -7.328 3.589 -7.904 1.00 0.00 C ATOM 1968 O ALA B 56 -6.334 3.594 -8.598 1.00 0.00 O ATOM 1969 CB ALA B 56 -5.915 4.679 -6.116 1.00 0.00 C ATOM 0 H ALA B 56 -7.951 2.964 -4.739 1.00 0.00 H new ATOM 0 HA ALA B 56 -8.080 4.744 -6.288 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -5.776 5.568 -6.731 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -5.892 4.959 -5.063 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -5.114 3.968 -6.320 1.00 0.00 H new ATOM 1975 N PRO B 57 -8.509 3.209 -8.317 1.00 0.00 N ATOM 1976 CA PRO B 57 -8.716 2.748 -9.708 1.00 0.00 C ATOM 1977 C PRO B 57 -8.665 3.945 -10.649 1.00 0.00 C ATOM 1978 O PRO B 57 -7.803 4.044 -11.499 1.00 0.00 O ATOM 1979 CB PRO B 57 -10.107 2.125 -9.682 1.00 0.00 C ATOM 1980 CG PRO B 57 -10.807 2.786 -8.538 1.00 0.00 C ATOM 1981 CD PRO B 57 -9.750 3.181 -7.534 1.00 0.00 C ATOM 0 HA PRO B 57 -7.960 2.044 -10.055 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -10.634 2.298 -10.620 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -10.053 1.046 -9.541 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -11.359 3.661 -8.879 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -11.531 2.108 -8.087 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -9.964 4.153 -7.091 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.689 2.464 -6.715 1.00 0.00 H new ATOM 1989 N LEU B 58 -9.564 4.873 -10.485 1.00 0.00 N ATOM 1990 CA LEU B 58 -9.540 6.075 -11.354 1.00 0.00 C ATOM 1991 C LEU B 58 -8.212 6.798 -11.142 1.00 0.00 C ATOM 1992 O LEU B 58 -7.601 7.284 -12.072 1.00 0.00 O ATOM 1993 CB LEU B 58 -10.712 6.936 -10.882 1.00 0.00 C ATOM 1994 CG LEU B 58 -11.257 7.746 -12.060 1.00 0.00 C ATOM 1995 CD1 LEU B 58 -10.106 8.469 -12.761 1.00 0.00 C ATOM 1996 CD2 LEU B 58 -11.943 6.802 -13.051 1.00 0.00 C ATOM 0 H LEU B 58 -10.310 4.850 -9.790 1.00 0.00 H new ATOM 0 HA LEU B 58 -9.629 5.843 -12.415 1.00 0.00 H new ATOM 0 HB2 LEU B 58 -11.497 6.304 -10.467 1.00 0.00 H new ATOM 0 HB3 LEU B 58 -10.388 7.606 -10.086 1.00 0.00 H new ATOM 0 HG LEU B 58 -11.976 8.479 -11.695 1.00 0.00 H new ATOM 0 HD11 LEU B 58 -10.496 9.046 -13.600 1.00 0.00 H new ATOM 0 HD12 LEU B 58 -9.615 9.140 -12.056 1.00 0.00 H new ATOM 0 HD13 LEU B 58 -9.386 7.737 -13.127 1.00 0.00 H new ATOM 0 HD21 LEU B 58 -12.332 7.377 -13.891 1.00 0.00 H new ATOM 0 HD22 LEU B 58 -11.222 6.070 -13.415 1.00 0.00 H new ATOM 0 HD23 LEU B 58 -12.764 6.286 -12.553 1.00 0.00 H new ATOM 2008 N VAL B 59 -7.757 6.863 -9.917 1.00 0.00 N ATOM 2009 CA VAL B 59 -6.459 7.547 -9.646 1.00 0.00 C ATOM 2010 C VAL B 59 -5.299 6.548 -9.712 1.00 0.00 C ATOM 2011 O VAL B 59 -4.161 6.888 -9.455 1.00 0.00 O ATOM 2012 CB VAL B 59 -6.597 8.121 -8.243 1.00 0.00 C ATOM 2013 CG1 VAL B 59 -5.310 8.861 -7.875 1.00 0.00 C ATOM 2014 CG2 VAL B 59 -7.776 9.095 -8.214 1.00 0.00 C ATOM 0 H VAL B 59 -8.225 6.475 -9.098 1.00 0.00 H new ATOM 0 HA VAL B 59 -6.244 8.322 -10.382 1.00 0.00 H new ATOM 0 HB VAL B 59 -6.771 7.317 -7.527 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -5.403 9.275 -6.871 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -4.470 8.167 -7.906 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -5.139 9.669 -8.586 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -7.881 9.510 -7.212 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -7.598 9.902 -8.924 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -8.690 8.568 -8.486 1.00 0.00 H new ATOM 2024 N GLN B 60 -5.578 5.319 -10.048 1.00 0.00 N ATOM 2025 CA GLN B 60 -4.490 4.302 -10.124 1.00 0.00 C ATOM 2026 C GLN B 60 -3.271 4.896 -10.824 1.00 0.00 C ATOM 2027 O GLN B 60 -2.146 4.714 -10.401 1.00 0.00 O ATOM 2028 CB GLN B 60 -5.072 3.149 -10.943 1.00 0.00 C ATOM 2029 CG GLN B 60 -4.348 1.848 -10.584 1.00 0.00 C ATOM 2030 CD GLN B 60 -5.199 1.041 -9.599 1.00 0.00 C ATOM 2031 OE1 GLN B 60 -6.358 0.780 -9.852 1.00 0.00 O ATOM 2032 NE2 GLN B 60 -4.667 0.626 -8.482 1.00 0.00 N ATOM 0 H GLN B 60 -6.511 4.974 -10.273 1.00 0.00 H new ATOM 0 HA GLN B 60 -4.165 3.970 -9.138 1.00 0.00 H new ATOM 0 HB2 GLN B 60 -6.139 3.050 -10.744 1.00 0.00 H new ATOM 0 HB3 GLN B 60 -4.964 3.355 -12.008 1.00 0.00 H new ATOM 0 HG2 GLN B 60 -4.163 1.263 -11.485 1.00 0.00 H new ATOM 0 HG3 GLN B 60 -3.376 2.071 -10.143 1.00 0.00 H new ATOM 0 HE21 GLN B 60 -3.694 0.845 -8.268 1.00 0.00 H new ATOM 0 HE22 GLN B 60 -5.224 0.083 -7.822 1.00 0.00 H new ATOM 2041 N LYS B 61 -3.490 5.611 -11.888 1.00 0.00 N ATOM 2042 CA LYS B 61 -2.344 6.228 -12.614 1.00 0.00 C ATOM 2043 C LYS B 61 -1.548 7.113 -11.658 1.00 0.00 C ATOM 2044 O LYS B 61 -0.358 6.944 -11.480 1.00 0.00 O ATOM 2045 CB LYS B 61 -2.979 7.066 -13.724 1.00 0.00 C ATOM 2046 CG LYS B 61 -2.718 6.406 -15.078 1.00 0.00 C ATOM 2047 CD LYS B 61 -3.639 7.020 -16.133 1.00 0.00 C ATOM 2048 CE LYS B 61 -5.099 6.818 -15.717 1.00 0.00 C ATOM 2049 NZ LYS B 61 -5.784 6.330 -16.946 1.00 0.00 N ATOM 0 H LYS B 61 -4.410 5.796 -12.288 1.00 0.00 H new ATOM 0 HA LYS B 61 -1.655 5.486 -13.017 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -4.052 7.160 -13.554 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -2.566 8.074 -13.714 1.00 0.00 H new ATOM 0 HG2 LYS B 61 -1.676 6.543 -15.366 1.00 0.00 H new ATOM 0 HG3 LYS B 61 -2.891 5.332 -15.010 1.00 0.00 H new ATOM 0 HD2 LYS B 61 -3.425 8.083 -16.243 1.00 0.00 H new ATOM 0 HD3 LYS B 61 -3.459 6.556 -17.103 1.00 0.00 H new ATOM 0 HE2 LYS B 61 -5.182 6.095 -14.905 1.00 0.00 H new ATOM 0 HE3 LYS B 61 -5.541 7.749 -15.362 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 -6.791 6.168 -16.741 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 -5.694 7.041 -17.699 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 -5.346 5.439 -17.257 1.00 0.00 H new ATOM 2063 N ILE B 62 -2.203 8.047 -11.033 1.00 0.00 N ATOM 2064 CA ILE B 62 -1.495 8.938 -10.071 1.00 0.00 C ATOM 2065 C ILE B 62 -0.848 8.093 -8.973 1.00 0.00 C ATOM 2066 O ILE B 62 0.145 8.474 -8.388 1.00 0.00 O ATOM 2067 CB ILE B 62 -2.585 9.844 -9.501 1.00 0.00 C ATOM 2068 CG1 ILE B 62 -3.207 10.664 -10.634 1.00 0.00 C ATOM 2069 CG2 ILE B 62 -1.976 10.791 -8.466 1.00 0.00 C ATOM 2070 CD1 ILE B 62 -4.219 11.654 -10.053 1.00 0.00 C ATOM 0 H ILE B 62 -3.199 8.234 -11.145 1.00 0.00 H new ATOM 0 HA ILE B 62 -0.698 9.519 -10.535 1.00 0.00 H new ATOM 0 HB ILE B 62 -3.352 9.233 -9.026 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -2.429 11.200 -11.178 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -3.698 10.003 -11.348 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -2.755 11.437 -8.061 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -1.530 10.210 -7.659 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -1.208 11.403 -8.940 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -4.662 12.238 -10.860 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -5.003 11.107 -9.528 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -3.714 12.323 -9.356 1.00 0.00 H new ATOM 2082 N ILE B 63 -1.389 6.932 -8.711 1.00 0.00 N ATOM 2083 CA ILE B 63 -0.788 6.052 -7.677 1.00 0.00 C ATOM 2084 C ILE B 63 0.500 5.468 -8.237 1.00 0.00 C ATOM 2085 O ILE B 63 1.565 5.627 -7.676 1.00 0.00 O ATOM 2086 CB ILE B 63 -1.838 4.966 -7.431 1.00 0.00 C ATOM 2087 CG1 ILE B 63 -2.515 5.223 -6.087 1.00 0.00 C ATOM 2088 CG2 ILE B 63 -1.178 3.589 -7.423 1.00 0.00 C ATOM 2089 CD1 ILE B 63 -2.989 6.673 -6.048 1.00 0.00 C ATOM 0 H ILE B 63 -2.220 6.559 -9.170 1.00 0.00 H new ATOM 0 HA ILE B 63 -0.537 6.566 -6.749 1.00 0.00 H new ATOM 0 HB ILE B 63 -2.581 4.992 -8.229 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -3.359 4.546 -5.953 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -1.819 5.031 -5.270 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -1.934 2.824 -7.247 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -0.698 3.410 -8.385 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -0.430 3.549 -6.631 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -3.475 6.871 -5.093 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -2.134 7.339 -6.165 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -3.697 6.846 -6.858 1.00 0.00 H new ATOM 2101 N GLN B 64 0.414 4.826 -9.363 1.00 0.00 N ATOM 2102 CA GLN B 64 1.648 4.272 -9.976 1.00 0.00 C ATOM 2103 C GLN B 64 2.691 5.385 -9.990 1.00 0.00 C ATOM 2104 O GLN B 64 3.877 5.152 -9.877 1.00 0.00 O ATOM 2105 CB GLN B 64 1.243 3.854 -11.395 1.00 0.00 C ATOM 2106 CG GLN B 64 1.861 4.806 -12.420 1.00 0.00 C ATOM 2107 CD GLN B 64 3.342 4.469 -12.604 1.00 0.00 C ATOM 2108 OE1 GLN B 64 3.737 3.327 -12.490 1.00 0.00 O ATOM 2109 NE2 GLN B 64 4.184 5.425 -12.888 1.00 0.00 N ATOM 0 H GLN B 64 -0.448 4.661 -9.882 1.00 0.00 H new ATOM 0 HA GLN B 64 2.070 3.421 -9.441 1.00 0.00 H new ATOM 0 HB2 GLN B 64 1.573 2.834 -11.590 1.00 0.00 H new ATOM 0 HB3 GLN B 64 0.157 3.861 -11.489 1.00 0.00 H new ATOM 0 HG2 GLN B 64 1.337 4.722 -13.372 1.00 0.00 H new ATOM 0 HG3 GLN B 64 1.751 5.838 -12.086 1.00 0.00 H new ATOM 0 HE21 GLN B 64 3.852 6.385 -12.984 1.00 0.00 H new ATOM 0 HE22 GLN B 64 5.174 5.212 -13.014 1.00 0.00 H new ATOM 2118 N LYS B 65 2.237 6.605 -10.098 1.00 0.00 N ATOM 2119 CA LYS B 65 3.174 7.757 -10.086 1.00 0.00 C ATOM 2120 C LYS B 65 3.777 7.882 -8.689 1.00 0.00 C ATOM 2121 O LYS B 65 4.917 8.262 -8.520 1.00 0.00 O ATOM 2122 CB LYS B 65 2.312 8.977 -10.416 1.00 0.00 C ATOM 2123 CG LYS B 65 3.127 9.968 -11.251 1.00 0.00 C ATOM 2124 CD LYS B 65 3.421 11.219 -10.420 1.00 0.00 C ATOM 2125 CE LYS B 65 2.115 11.764 -9.835 1.00 0.00 C ATOM 2126 NZ LYS B 65 2.409 13.185 -9.497 1.00 0.00 N ATOM 0 H LYS B 65 1.252 6.851 -10.194 1.00 0.00 H new ATOM 0 HA LYS B 65 3.995 7.651 -10.796 1.00 0.00 H new ATOM 0 HB2 LYS B 65 1.422 8.669 -10.965 1.00 0.00 H new ATOM 0 HB3 LYS B 65 1.971 9.454 -9.497 1.00 0.00 H new ATOM 0 HG2 LYS B 65 4.060 9.506 -11.574 1.00 0.00 H new ATOM 0 HG3 LYS B 65 2.577 10.239 -12.152 1.00 0.00 H new ATOM 0 HD2 LYS B 65 4.119 10.980 -9.618 1.00 0.00 H new ATOM 0 HD3 LYS B 65 3.898 11.977 -11.041 1.00 0.00 H new ATOM 0 HE2 LYS B 65 1.299 11.690 -10.554 1.00 0.00 H new ATOM 0 HE3 LYS B 65 1.813 11.202 -8.951 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 1.561 13.628 -9.090 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 3.185 13.224 -8.806 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 2.687 13.697 -10.359 1.00 0.00 H new ATOM 2140 N ILE B 66 3.011 7.548 -7.685 1.00 0.00 N ATOM 2141 CA ILE B 66 3.523 7.623 -6.291 1.00 0.00 C ATOM 2142 C ILE B 66 4.371 6.387 -5.991 1.00 0.00 C ATOM 2143 O ILE B 66 5.267 6.411 -5.170 1.00 0.00 O ATOM 2144 CB ILE B 66 2.270 7.664 -5.411 1.00 0.00 C ATOM 2145 CG1 ILE B 66 2.469 8.685 -4.288 1.00 0.00 C ATOM 2146 CG2 ILE B 66 2.007 6.284 -4.802 1.00 0.00 C ATOM 2147 CD1 ILE B 66 3.788 8.400 -3.566 1.00 0.00 C ATOM 0 H ILE B 66 2.048 7.225 -7.774 1.00 0.00 H new ATOM 0 HA ILE B 66 4.158 8.492 -6.117 1.00 0.00 H new ATOM 0 HB ILE B 66 1.416 7.951 -6.024 1.00 0.00 H new ATOM 0 HG12 ILE B 66 2.477 9.695 -4.698 1.00 0.00 H new ATOM 0 HG13 ILE B 66 1.638 8.634 -3.584 1.00 0.00 H new ATOM 0 HG21 ILE B 66 1.114 6.326 -4.179 1.00 0.00 H new ATOM 0 HG22 ILE B 66 1.859 5.556 -5.600 1.00 0.00 H new ATOM 0 HG23 ILE B 66 2.861 5.986 -4.193 1.00 0.00 H new ATOM 0 HD11 ILE B 66 3.930 9.127 -2.766 1.00 0.00 H new ATOM 0 HD12 ILE B 66 3.762 7.396 -3.143 1.00 0.00 H new ATOM 0 HD13 ILE B 66 4.614 8.474 -4.274 1.00 0.00 H new ATOM 2159 N LEU B 67 4.092 5.308 -6.663 1.00 0.00 N ATOM 2160 CA LEU B 67 4.871 4.062 -6.445 1.00 0.00 C ATOM 2161 C LEU B 67 6.138 4.094 -7.299 1.00 0.00 C ATOM 2162 O LEU B 67 7.161 3.549 -6.938 1.00 0.00 O ATOM 2163 CB LEU B 67 3.943 2.936 -6.907 1.00 0.00 C ATOM 2164 CG LEU B 67 3.099 2.452 -5.728 1.00 0.00 C ATOM 2165 CD1 LEU B 67 1.789 3.237 -5.693 1.00 0.00 C ATOM 2166 CD2 LEU B 67 2.796 0.962 -5.896 1.00 0.00 C ATOM 0 H LEU B 67 3.351 5.236 -7.360 1.00 0.00 H new ATOM 0 HA LEU B 67 5.182 3.934 -5.408 1.00 0.00 H new ATOM 0 HB2 LEU B 67 3.296 3.290 -7.709 1.00 0.00 H new ATOM 0 HB3 LEU B 67 4.529 2.111 -7.311 1.00 0.00 H new ATOM 0 HG LEU B 67 3.645 2.608 -4.797 1.00 0.00 H new ATOM 0 HD11 LEU B 67 1.183 2.896 -4.854 1.00 0.00 H new ATOM 0 HD12 LEU B 67 2.004 4.299 -5.577 1.00 0.00 H new ATOM 0 HD13 LEU B 67 1.244 3.077 -6.623 1.00 0.00 H new ATOM 0 HD21 LEU B 67 2.194 0.616 -5.056 1.00 0.00 H new ATOM 0 HD22 LEU B 67 2.247 0.805 -6.824 1.00 0.00 H new ATOM 0 HD23 LEU B 67 3.731 0.402 -5.928 1.00 0.00 H new ATOM 2178 N ASN B 68 6.067 4.726 -8.437 1.00 0.00 N ATOM 2179 CA ASN B 68 7.254 4.794 -9.330 1.00 0.00 C ATOM 2180 C ASN B 68 8.106 6.032 -9.025 1.00 0.00 C ATOM 2181 O ASN B 68 9.181 6.198 -9.568 1.00 0.00 O ATOM 2182 CB ASN B 68 6.677 4.873 -10.740 1.00 0.00 C ATOM 2183 CG ASN B 68 7.464 3.944 -11.667 1.00 0.00 C ATOM 2184 OD1 ASN B 68 8.275 4.394 -12.453 1.00 0.00 O ATOM 2185 ND2 ASN B 68 7.257 2.656 -11.607 1.00 0.00 N ATOM 0 H ASN B 68 5.234 5.200 -8.787 1.00 0.00 H new ATOM 0 HA ASN B 68 7.911 3.934 -9.198 1.00 0.00 H new ATOM 0 HB2 ASN B 68 5.625 4.588 -10.730 1.00 0.00 H new ATOM 0 HB3 ASN B 68 6.726 5.898 -11.108 1.00 0.00 H new ATOM 0 HD21 ASN B 68 7.776 2.027 -12.220 1.00 0.00 H new ATOM 0 HD22 ASN B 68 6.576 2.279 -10.947 1.00 0.00 H new ATOM 2192 N LYS B 69 7.648 6.908 -8.167 1.00 0.00 N ATOM 2193 CA LYS B 69 8.457 8.125 -7.856 1.00 0.00 C ATOM 2194 C LYS B 69 9.575 7.789 -6.873 1.00 0.00 C ATOM 2195 O LYS B 69 10.229 8.657 -6.332 1.00 0.00 O ATOM 2196 CB LYS B 69 7.482 9.136 -7.252 1.00 0.00 C ATOM 2197 CG LYS B 69 7.130 8.725 -5.821 1.00 0.00 C ATOM 2198 CD LYS B 69 6.568 9.932 -5.066 1.00 0.00 C ATOM 2199 CE LYS B 69 7.706 10.897 -4.727 1.00 0.00 C ATOM 2200 NZ LYS B 69 7.102 11.895 -3.803 1.00 0.00 N ATOM 0 H LYS B 69 6.759 6.835 -7.673 1.00 0.00 H new ATOM 0 HA LYS B 69 8.937 8.526 -8.749 1.00 0.00 H new ATOM 0 HB2 LYS B 69 7.927 10.131 -7.255 1.00 0.00 H new ATOM 0 HB3 LYS B 69 6.577 9.189 -7.858 1.00 0.00 H new ATOM 0 HG2 LYS B 69 6.398 7.917 -5.833 1.00 0.00 H new ATOM 0 HG3 LYS B 69 8.016 8.345 -5.312 1.00 0.00 H new ATOM 0 HD2 LYS B 69 5.817 10.437 -5.674 1.00 0.00 H new ATOM 0 HD3 LYS B 69 6.071 9.604 -4.153 1.00 0.00 H new ATOM 0 HE2 LYS B 69 8.539 10.375 -4.255 1.00 0.00 H new ATOM 0 HE3 LYS B 69 8.098 11.376 -5.624 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 7.822 12.592 -3.526 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 6.317 12.381 -4.282 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 6.744 11.411 -2.955 1.00 0.00 H new