USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 550 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 ASN : amide:sc= -2.48 K(o=-2.9,f=-7.8!) USER MOD Set 1.2: A 78 GLN : amide:sc= -0.431 K(o=-2.9,f=-2.1) USER MOD Set 2.1: A 59 ASN : amide:sc= -2.6! C(o=-2.8!,f=-2.4!) USER MOD Set 2.2: A 62 ASN : amide:sc= -0.156 K(o=-2.8,f=-3.9!) USER MOD Set 3.1: A 16 SER OG : rot 132:sc= 1.19 USER MOD Set 3.2: A 56 GLN : amide:sc= -4.17! C(o=-3!,f=-5.1!) USER MOD Single : A 22 ASN : amide:sc= 1.11 K(o=1.1,f=-0.5) USER MOD Single : A 25 THR OG1 : rot 140:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 10:sc= 0.388! USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.103) USER MOD Single : A 40 TYR OH : rot 180:sc= -1.11 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 38:sc= -2.57! USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot -150:sc= -3.07 USER MOD Single : A 74 MET CE :methyl 161:sc= 0 (180deg=-0.532) USER MOD Single : A 83 ASN : amide:sc= -3.33! C(o=-3.3!,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 194 N SER A 16 9.019 -0.599 6.328 1.00 0.00 N ATOM 195 CA SER A 16 8.227 0.264 5.468 1.00 0.00 C ATOM 196 C SER A 16 7.427 -0.580 4.474 1.00 0.00 C ATOM 197 O SER A 16 7.951 -0.992 3.441 1.00 0.00 O ATOM 198 CB SER A 16 9.114 1.263 4.722 1.00 0.00 C ATOM 199 OG SER A 16 10.274 0.641 4.174 1.00 0.00 O ATOM 0 HA SER A 16 7.537 0.829 6.094 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.540 1.730 3.921 1.00 0.00 H new ATOM 0 HB3 SER A 16 9.417 2.058 5.403 1.00 0.00 H new ATOM 0 HG SER A 16 10.378 0.911 3.238 1.00 0.00 H new ATOM 205 N ARG A 17 6.170 -0.813 4.823 1.00 0.00 N ATOM 206 CA ARG A 17 5.292 -1.601 3.974 1.00 0.00 C ATOM 207 C ARG A 17 3.897 -0.974 3.927 1.00 0.00 C ATOM 208 O ARG A 17 3.286 -0.732 4.967 1.00 0.00 O ATOM 209 CB ARG A 17 5.181 -3.040 4.482 1.00 0.00 C ATOM 210 CG ARG A 17 5.514 -4.040 3.373 1.00 0.00 C ATOM 211 CD ARG A 17 5.152 -5.466 3.793 1.00 0.00 C ATOM 212 NE ARG A 17 6.250 -6.050 4.596 1.00 0.00 N ATOM 213 CZ ARG A 17 6.321 -7.342 4.944 1.00 0.00 C ATOM 214 NH1 ARG A 17 5.358 -8.192 4.562 1.00 0.00 N ATOM 215 NH2 ARG A 17 7.354 -7.784 5.674 1.00 0.00 N ATOM 0 H ARG A 17 5.739 -0.470 5.681 1.00 0.00 H new ATOM 0 HA ARG A 17 5.722 -1.614 2.972 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.858 -3.186 5.323 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.171 -3.223 4.850 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.971 -3.776 2.465 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.577 -3.986 3.136 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.229 -5.460 4.373 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.970 -6.079 2.910 1.00 0.00 H new ATOM 0 HE ARG A 17 6.999 -5.430 4.904 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.571 -7.855 4.007 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.412 -9.176 4.827 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.087 -7.137 5.965 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.408 -8.768 5.939 1.00 0.00 H new ATOM 229 N VAL A 18 3.433 -0.731 2.710 1.00 0.00 N ATOM 230 CA VAL A 18 2.121 -0.137 2.514 1.00 0.00 C ATOM 231 C VAL A 18 1.182 -1.178 1.902 1.00 0.00 C ATOM 232 O VAL A 18 1.575 -1.923 1.005 1.00 0.00 O ATOM 233 CB VAL A 18 2.242 1.131 1.667 1.00 0.00 C ATOM 234 CG1 VAL A 18 0.873 1.782 1.456 1.00 0.00 C ATOM 235 CG2 VAL A 18 3.227 2.119 2.296 1.00 0.00 C ATOM 0 H VAL A 18 3.942 -0.935 1.850 1.00 0.00 H new ATOM 0 HA VAL A 18 1.692 0.166 3.469 1.00 0.00 H new ATOM 0 HB VAL A 18 2.632 0.845 0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.987 2.681 0.851 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.212 1.082 0.945 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.443 2.047 2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.294 3.012 1.674 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.879 2.396 3.291 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.210 1.654 2.371 1.00 0.00 H new ATOM 245 N PHE A 19 -0.042 -1.196 2.410 1.00 0.00 N ATOM 246 CA PHE A 19 -1.040 -2.133 1.924 1.00 0.00 C ATOM 247 C PHE A 19 -2.115 -1.414 1.105 1.00 0.00 C ATOM 248 O PHE A 19 -3.039 -0.827 1.666 1.00 0.00 O ATOM 249 CB PHE A 19 -1.693 -2.768 3.153 1.00 0.00 C ATOM 250 CG PHE A 19 -3.074 -3.369 2.883 1.00 0.00 C ATOM 251 CD1 PHE A 19 -3.378 -3.848 1.647 1.00 0.00 C ATOM 252 CD2 PHE A 19 -3.998 -3.425 3.880 1.00 0.00 C ATOM 253 CE1 PHE A 19 -4.659 -4.406 1.397 1.00 0.00 C ATOM 254 CE2 PHE A 19 -5.279 -3.983 3.630 1.00 0.00 C ATOM 255 CZ PHE A 19 -5.583 -4.462 2.394 1.00 0.00 C ATOM 0 H PHE A 19 -0.365 -0.576 3.153 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.569 -2.878 1.282 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.037 -3.549 3.538 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.783 -2.014 3.935 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.645 -3.804 0.855 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.757 -3.045 4.862 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.900 -4.786 0.415 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.012 -4.027 4.422 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.558 -4.887 2.204 1.00 0.00 H new ATOM 265 N ILE A 20 -1.957 -1.483 -0.209 1.00 0.00 N ATOM 266 CA ILE A 20 -2.902 -0.846 -1.110 1.00 0.00 C ATOM 267 C ILE A 20 -4.117 -1.758 -1.296 1.00 0.00 C ATOM 268 O ILE A 20 -3.975 -2.912 -1.697 1.00 0.00 O ATOM 269 CB ILE A 20 -2.215 -0.462 -2.422 1.00 0.00 C ATOM 270 CG1 ILE A 20 -1.004 0.437 -2.164 1.00 0.00 C ATOM 271 CG2 ILE A 20 -3.208 0.180 -3.394 1.00 0.00 C ATOM 272 CD1 ILE A 20 0.293 -0.255 -2.591 1.00 0.00 C ATOM 0 H ILE A 20 -1.189 -1.970 -0.671 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.266 0.088 -0.682 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.846 -1.373 -2.893 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.118 1.373 -2.711 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.954 0.691 -1.105 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.694 0.443 -4.318 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.010 -0.525 -3.613 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.628 1.079 -2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.138 0.405 -2.397 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.416 -1.178 -2.025 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.249 -0.485 -3.656 1.00 0.00 H new ATOM 284 N GLY A 21 -5.283 -1.205 -0.996 1.00 0.00 N ATOM 285 CA GLY A 21 -6.521 -1.953 -1.126 1.00 0.00 C ATOM 286 C GLY A 21 -7.465 -1.283 -2.126 1.00 0.00 C ATOM 287 O GLY A 21 -7.227 -0.153 -2.549 1.00 0.00 O ATOM 0 H GLY A 21 -5.396 -0.247 -0.663 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.303 -2.970 -1.452 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.009 -2.027 -0.154 1.00 0.00 H new ATOM 291 N ASN A 22 -8.517 -2.009 -2.476 1.00 0.00 N ATOM 292 CA ASN A 22 -9.498 -1.499 -3.418 1.00 0.00 C ATOM 293 C ASN A 22 -8.780 -0.992 -4.671 1.00 0.00 C ATOM 294 O ASN A 22 -9.232 -0.041 -5.307 1.00 0.00 O ATOM 295 CB ASN A 22 -10.284 -0.331 -2.818 1.00 0.00 C ATOM 296 CG ASN A 22 -11.787 -0.511 -3.039 1.00 0.00 C ATOM 297 OD1 ASN A 22 -12.342 -1.584 -2.867 1.00 0.00 O ATOM 298 ND2 ASN A 22 -12.413 0.596 -3.428 1.00 0.00 N ATOM 0 H ASN A 22 -8.711 -2.946 -2.124 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.186 -2.309 -3.660 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.076 -0.258 -1.751 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.956 0.604 -3.271 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.418 0.579 -3.601 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.888 1.462 -3.553 1.00 0.00 H new ATOM 305 N LEU A 23 -7.673 -1.648 -4.986 1.00 0.00 N ATOM 306 CA LEU A 23 -6.888 -1.276 -6.151 1.00 0.00 C ATOM 307 C LEU A 23 -7.539 -1.858 -7.407 1.00 0.00 C ATOM 308 O LEU A 23 -7.585 -3.075 -7.579 1.00 0.00 O ATOM 309 CB LEU A 23 -5.427 -1.690 -5.967 1.00 0.00 C ATOM 310 CG LEU A 23 -4.389 -0.829 -6.690 1.00 0.00 C ATOM 311 CD1 LEU A 23 -3.158 -1.655 -7.067 1.00 0.00 C ATOM 312 CD2 LEU A 23 -5.006 -0.132 -7.904 1.00 0.00 C ATOM 0 H LEU A 23 -7.301 -2.435 -4.455 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.875 -0.193 -6.271 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.199 -1.680 -4.901 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.316 -2.720 -6.307 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.055 -0.049 -6.006 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.436 -1.019 -7.579 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.704 -2.065 -6.164 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.455 -2.471 -7.726 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.248 0.474 -8.400 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.385 -0.881 -8.600 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.826 0.508 -7.578 1.00 0.00 H new ATOM 324 N ASN A 24 -8.026 -0.962 -8.252 1.00 0.00 N ATOM 325 CA ASN A 24 -8.672 -1.372 -9.487 1.00 0.00 C ATOM 326 C ASN A 24 -7.609 -1.845 -10.481 1.00 0.00 C ATOM 327 O ASN A 24 -7.424 -1.238 -11.535 1.00 0.00 O ATOM 328 CB ASN A 24 -9.430 -0.206 -10.126 1.00 0.00 C ATOM 329 CG ASN A 24 -10.235 -0.674 -11.340 1.00 0.00 C ATOM 330 OD1 ASN A 24 -9.863 -1.598 -12.045 1.00 0.00 O ATOM 331 ND2 ASN A 24 -11.355 0.013 -11.543 1.00 0.00 N ATOM 0 H ASN A 24 -7.986 0.047 -8.106 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.373 -2.172 -9.251 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.100 0.243 -9.392 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.725 0.568 -10.429 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.962 -0.222 -12.328 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.607 0.775 -10.914 1.00 0.00 H new ATOM 338 N THR A 25 -6.938 -2.926 -10.110 1.00 0.00 N ATOM 339 CA THR A 25 -5.899 -3.489 -10.956 1.00 0.00 C ATOM 340 C THR A 25 -6.429 -3.716 -12.373 1.00 0.00 C ATOM 341 O THR A 25 -5.653 -3.824 -13.320 1.00 0.00 O ATOM 342 CB THR A 25 -5.385 -4.765 -10.287 1.00 0.00 C ATOM 343 OG1 THR A 25 -6.491 -5.661 -10.354 1.00 0.00 O ATOM 344 CG2 THR A 25 -5.142 -4.584 -8.787 1.00 0.00 C ATOM 0 H THR A 25 -7.094 -3.427 -9.235 1.00 0.00 H new ATOM 0 HA THR A 25 -5.060 -2.801 -11.064 1.00 0.00 H new ATOM 0 HB THR A 25 -4.459 -5.079 -10.769 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.170 -6.562 -10.569 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.778 -5.519 -8.362 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.400 -3.801 -8.631 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.075 -4.302 -8.299 1.00 0.00 H new ATOM 352 N LEU A 26 -7.749 -3.782 -12.473 1.00 0.00 N ATOM 353 CA LEU A 26 -8.392 -3.995 -13.758 1.00 0.00 C ATOM 354 C LEU A 26 -8.248 -2.733 -14.611 1.00 0.00 C ATOM 355 O LEU A 26 -8.550 -2.747 -15.803 1.00 0.00 O ATOM 356 CB LEU A 26 -9.842 -4.444 -13.564 1.00 0.00 C ATOM 357 CG LEU A 26 -10.119 -5.932 -13.788 1.00 0.00 C ATOM 358 CD1 LEU A 26 -11.561 -6.283 -13.418 1.00 0.00 C ATOM 359 CD2 LEU A 26 -9.779 -6.343 -15.222 1.00 0.00 C ATOM 0 H LEU A 26 -8.390 -3.692 -11.685 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.902 -4.804 -14.300 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.149 -4.186 -12.550 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.473 -3.871 -14.243 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.469 -6.504 -13.126 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.731 -7.346 -13.587 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.734 -6.050 -12.367 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.247 -5.703 -14.036 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.985 -7.405 -15.355 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.386 -5.766 -15.920 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.723 -6.151 -15.415 1.00 0.00 H new ATOM 371 N VAL A 27 -7.787 -1.671 -13.966 1.00 0.00 N ATOM 372 CA VAL A 27 -7.599 -0.403 -14.650 1.00 0.00 C ATOM 373 C VAL A 27 -6.232 0.175 -14.279 1.00 0.00 C ATOM 374 O VAL A 27 -5.485 0.619 -15.149 1.00 0.00 O ATOM 375 CB VAL A 27 -8.756 0.544 -14.325 1.00 0.00 C ATOM 376 CG1 VAL A 27 -8.483 1.949 -14.863 1.00 0.00 C ATOM 377 CG2 VAL A 27 -10.080 -0.002 -14.865 1.00 0.00 C ATOM 0 H VAL A 27 -7.538 -1.663 -12.977 1.00 0.00 H new ATOM 0 HA VAL A 27 -7.608 -0.548 -15.730 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.838 0.611 -13.240 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.321 2.602 -14.618 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.573 2.342 -14.410 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.360 1.907 -15.945 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.886 0.690 -14.620 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.013 -0.113 -15.947 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.285 -0.972 -14.412 1.00 0.00 H new ATOM 387 N VAL A 28 -5.946 0.149 -12.986 1.00 0.00 N ATOM 388 CA VAL A 28 -4.681 0.664 -12.489 1.00 0.00 C ATOM 389 C VAL A 28 -3.564 -0.326 -12.825 1.00 0.00 C ATOM 390 O VAL A 28 -3.801 -1.530 -12.907 1.00 0.00 O ATOM 391 CB VAL A 28 -4.789 0.958 -10.991 1.00 0.00 C ATOM 392 CG1 VAL A 28 -3.785 2.033 -10.570 1.00 0.00 C ATOM 393 CG2 VAL A 28 -6.215 1.360 -10.612 1.00 0.00 C ATOM 0 H VAL A 28 -6.568 -0.221 -12.267 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.435 1.608 -12.976 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.546 0.043 -10.452 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.882 2.223 -9.501 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.773 1.691 -10.787 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.983 2.952 -11.122 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.264 1.563 -9.542 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.500 2.255 -11.165 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.900 0.548 -10.859 1.00 0.00 H new ATOM 403 N LYS A 29 -2.371 0.219 -13.012 1.00 0.00 N ATOM 404 CA LYS A 29 -1.217 -0.601 -13.338 1.00 0.00 C ATOM 405 C LYS A 29 -0.123 -0.372 -12.293 1.00 0.00 C ATOM 406 O LYS A 29 0.063 0.747 -11.818 1.00 0.00 O ATOM 407 CB LYS A 29 -0.760 -0.337 -14.774 1.00 0.00 C ATOM 408 CG LYS A 29 0.714 -0.702 -14.957 1.00 0.00 C ATOM 409 CD LYS A 29 0.909 -2.220 -14.936 1.00 0.00 C ATOM 410 CE LYS A 29 2.331 -2.584 -14.505 1.00 0.00 C ATOM 411 NZ LYS A 29 2.825 -3.747 -15.275 1.00 0.00 N ATOM 0 H LYS A 29 -2.179 1.218 -12.944 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.479 -1.658 -13.301 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.370 -0.917 -15.466 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.911 0.714 -15.020 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.078 -0.298 -15.902 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.307 -0.244 -14.165 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.191 -2.673 -14.253 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.709 -2.630 -15.926 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.993 -1.732 -14.658 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.347 -2.813 -13.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.791 -3.980 -14.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.203 -4.563 -15.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.829 -3.516 -16.289 1.00 0.00 H new ATOM 425 N LYS A 30 0.574 -1.451 -11.966 1.00 0.00 N ATOM 426 CA LYS A 30 1.644 -1.382 -10.987 1.00 0.00 C ATOM 427 C LYS A 30 2.418 -0.075 -11.174 1.00 0.00 C ATOM 428 O LYS A 30 2.536 0.719 -10.242 1.00 0.00 O ATOM 429 CB LYS A 30 2.523 -2.633 -11.064 1.00 0.00 C ATOM 430 CG LYS A 30 2.935 -3.101 -9.667 1.00 0.00 C ATOM 431 CD LYS A 30 2.756 -4.613 -9.520 1.00 0.00 C ATOM 432 CE LYS A 30 4.101 -5.304 -9.284 1.00 0.00 C ATOM 433 NZ LYS A 30 4.825 -5.477 -10.563 1.00 0.00 N ATOM 0 H LYS A 30 0.418 -2.378 -12.362 1.00 0.00 H new ATOM 0 HA LYS A 30 1.235 -1.369 -9.977 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.983 -3.431 -11.574 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.412 -2.421 -11.657 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.976 -2.835 -9.483 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.336 -2.586 -8.916 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.084 -4.824 -8.688 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.288 -5.016 -10.418 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.704 -4.713 -8.595 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.941 -6.275 -8.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.735 -5.947 -10.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.255 -6.059 -11.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.994 -4.546 -10.995 1.00 0.00 H new ATOM 447 N SER A 31 2.924 0.107 -12.384 1.00 0.00 N ATOM 448 CA SER A 31 3.683 1.304 -12.705 1.00 0.00 C ATOM 449 C SER A 31 2.954 2.542 -12.179 1.00 0.00 C ATOM 450 O SER A 31 3.572 3.429 -11.593 1.00 0.00 O ATOM 451 CB SER A 31 3.911 1.424 -14.213 1.00 0.00 C ATOM 452 OG SER A 31 5.014 0.634 -14.650 1.00 0.00 O ATOM 0 H SER A 31 2.824 -0.554 -13.154 1.00 0.00 H new ATOM 0 HA SER A 31 4.657 1.231 -12.222 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.010 1.113 -14.742 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.088 2.468 -14.471 1.00 0.00 H new ATOM 0 HG SER A 31 5.126 0.736 -15.618 1.00 0.00 H new ATOM 458 N ASP A 32 1.649 2.564 -12.408 1.00 0.00 N ATOM 459 CA ASP A 32 0.829 3.678 -11.965 1.00 0.00 C ATOM 460 C ASP A 32 0.909 3.790 -10.441 1.00 0.00 C ATOM 461 O ASP A 32 0.864 4.890 -9.893 1.00 0.00 O ATOM 462 CB ASP A 32 -0.638 3.470 -12.347 1.00 0.00 C ATOM 463 CG ASP A 32 -0.887 3.199 -13.832 1.00 0.00 C ATOM 464 OD1 ASP A 32 0.027 2.627 -14.465 1.00 0.00 O ATOM 465 OD2 ASP A 32 -1.985 3.569 -14.300 1.00 0.00 O ATOM 0 H ASP A 32 1.139 1.827 -12.895 1.00 0.00 H new ATOM 0 HA ASP A 32 1.202 4.582 -12.446 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.033 2.634 -11.769 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.203 4.355 -12.055 1.00 0.00 H new ATOM 470 N VAL A 33 1.027 2.637 -9.800 1.00 0.00 N ATOM 471 CA VAL A 33 1.114 2.591 -8.350 1.00 0.00 C ATOM 472 C VAL A 33 2.568 2.803 -7.924 1.00 0.00 C ATOM 473 O VAL A 33 2.837 3.162 -6.779 1.00 0.00 O ATOM 474 CB VAL A 33 0.524 1.278 -7.832 1.00 0.00 C ATOM 475 CG1 VAL A 33 0.559 1.228 -6.303 1.00 0.00 C ATOM 476 CG2 VAL A 33 -0.899 1.072 -8.355 1.00 0.00 C ATOM 0 H VAL A 33 1.064 1.727 -10.258 1.00 0.00 H new ATOM 0 HA VAL A 33 0.525 3.394 -7.906 1.00 0.00 H new ATOM 0 HB VAL A 33 1.140 0.462 -8.209 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.134 0.285 -5.960 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.591 1.307 -5.960 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.023 2.056 -5.898 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.295 0.131 -7.972 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.532 1.895 -8.022 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.886 1.043 -9.445 1.00 0.00 H new ATOM 486 N GLU A 34 3.468 2.571 -8.869 1.00 0.00 N ATOM 487 CA GLU A 34 4.888 2.731 -8.605 1.00 0.00 C ATOM 488 C GLU A 34 5.328 4.162 -8.921 1.00 0.00 C ATOM 489 O GLU A 34 6.331 4.638 -8.391 1.00 0.00 O ATOM 490 CB GLU A 34 5.711 1.716 -9.401 1.00 0.00 C ATOM 491 CG GLU A 34 6.030 0.483 -8.553 1.00 0.00 C ATOM 492 CD GLU A 34 6.914 -0.499 -9.324 1.00 0.00 C ATOM 493 OE1 GLU A 34 6.666 -0.652 -10.540 1.00 0.00 O ATOM 494 OE2 GLU A 34 7.818 -1.074 -8.680 1.00 0.00 O ATOM 0 H GLU A 34 3.241 2.274 -9.818 1.00 0.00 H new ATOM 0 HA GLU A 34 5.065 2.542 -7.546 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.161 1.416 -10.293 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.638 2.179 -9.739 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.534 0.788 -7.636 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.103 -0.010 -8.259 1.00 0.00 H new ATOM 501 N ALA A 35 4.556 4.808 -9.783 1.00 0.00 N ATOM 502 CA ALA A 35 4.854 6.175 -10.175 1.00 0.00 C ATOM 503 C ALA A 35 4.084 7.140 -9.271 1.00 0.00 C ATOM 504 O ALA A 35 4.636 8.137 -8.808 1.00 0.00 O ATOM 505 CB ALA A 35 4.515 6.367 -11.655 1.00 0.00 C ATOM 0 H ALA A 35 3.725 4.410 -10.221 1.00 0.00 H new ATOM 0 HA ALA A 35 5.916 6.386 -10.053 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.738 7.392 -11.949 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.109 5.679 -12.257 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.456 6.166 -11.815 1.00 0.00 H new ATOM 511 N ILE A 36 2.820 6.810 -9.047 1.00 0.00 N ATOM 512 CA ILE A 36 1.969 7.634 -8.206 1.00 0.00 C ATOM 513 C ILE A 36 2.543 7.672 -6.788 1.00 0.00 C ATOM 514 O ILE A 36 2.413 8.676 -6.089 1.00 0.00 O ATOM 515 CB ILE A 36 0.520 7.148 -8.271 1.00 0.00 C ATOM 516 CG1 ILE A 36 -0.070 7.366 -9.666 1.00 0.00 C ATOM 517 CG2 ILE A 36 -0.328 7.807 -7.181 1.00 0.00 C ATOM 518 CD1 ILE A 36 -1.405 6.634 -9.817 1.00 0.00 C ATOM 0 H ILE A 36 2.365 5.983 -9.434 1.00 0.00 H new ATOM 0 HA ILE A 36 1.953 8.661 -8.571 1.00 0.00 H new ATOM 0 HB ILE A 36 0.511 6.075 -8.082 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.214 8.432 -9.841 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.631 7.011 -10.421 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.354 7.445 -7.249 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.081 7.558 -6.202 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.316 8.889 -7.315 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.803 6.805 -10.817 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.253 5.565 -9.665 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.111 7.009 -9.076 1.00 0.00 H new ATOM 530 N PHE A 37 3.164 6.566 -6.406 1.00 0.00 N ATOM 531 CA PHE A 37 3.757 6.460 -5.084 1.00 0.00 C ATOM 532 C PHE A 37 5.228 6.882 -5.108 1.00 0.00 C ATOM 533 O PHE A 37 5.837 7.082 -4.058 1.00 0.00 O ATOM 534 CB PHE A 37 3.668 4.990 -4.670 1.00 0.00 C ATOM 535 CG PHE A 37 2.245 4.511 -4.376 1.00 0.00 C ATOM 536 CD1 PHE A 37 1.295 4.566 -5.348 1.00 0.00 C ATOM 537 CD2 PHE A 37 1.930 4.031 -3.143 1.00 0.00 C ATOM 538 CE1 PHE A 37 -0.026 4.122 -5.075 1.00 0.00 C ATOM 539 CE2 PHE A 37 0.609 3.587 -2.871 1.00 0.00 C ATOM 540 CZ PHE A 37 -0.341 3.642 -3.842 1.00 0.00 C ATOM 0 H PHE A 37 3.269 5.736 -6.989 1.00 0.00 H new ATOM 0 HA PHE A 37 3.230 7.112 -4.387 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.091 4.374 -5.463 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.283 4.835 -3.783 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.545 4.947 -6.327 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.684 3.988 -2.371 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.781 4.165 -5.846 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.359 3.205 -1.892 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.346 3.305 -3.634 1.00 0.00 H new ATOM 550 N SER A 38 5.755 7.007 -6.317 1.00 0.00 N ATOM 551 CA SER A 38 7.143 7.402 -6.491 1.00 0.00 C ATOM 552 C SER A 38 7.338 8.845 -6.023 1.00 0.00 C ATOM 553 O SER A 38 8.469 9.310 -5.888 1.00 0.00 O ATOM 554 CB SER A 38 7.579 7.253 -7.950 1.00 0.00 C ATOM 555 OG SER A 38 8.633 8.151 -8.286 1.00 0.00 O ATOM 0 H SER A 38 5.246 6.842 -7.186 1.00 0.00 H new ATOM 0 HA SER A 38 7.765 6.743 -5.885 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.905 6.228 -8.128 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.726 7.434 -8.604 1.00 0.00 H new ATOM 0 HG SER A 38 8.979 8.569 -7.470 1.00 0.00 H new ATOM 561 N LYS A 39 6.219 9.514 -5.788 1.00 0.00 N ATOM 562 CA LYS A 39 6.253 10.895 -5.337 1.00 0.00 C ATOM 563 C LYS A 39 6.231 10.929 -3.808 1.00 0.00 C ATOM 564 O LYS A 39 6.476 11.972 -3.203 1.00 0.00 O ATOM 565 CB LYS A 39 5.124 11.699 -5.987 1.00 0.00 C ATOM 566 CG LYS A 39 3.791 10.957 -5.878 1.00 0.00 C ATOM 567 CD LYS A 39 2.658 11.917 -5.506 1.00 0.00 C ATOM 568 CE LYS A 39 1.802 12.254 -6.729 1.00 0.00 C ATOM 569 NZ LYS A 39 2.632 12.871 -7.788 1.00 0.00 N ATOM 0 H LYS A 39 5.283 9.125 -5.901 1.00 0.00 H new ATOM 0 HA LYS A 39 7.179 11.376 -5.653 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.043 12.673 -5.505 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.359 11.880 -7.036 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.563 10.470 -6.826 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.868 10.171 -5.126 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.034 11.467 -4.734 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.075 12.832 -5.086 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.329 11.349 -7.110 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.001 12.936 -6.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.016 13.247 -8.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.194 13.646 -7.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.270 12.155 -8.191 1.00 0.00 H new ATOM 583 N TYR A 40 5.935 9.776 -3.226 1.00 0.00 N ATOM 584 CA TYR A 40 5.878 9.661 -1.779 1.00 0.00 C ATOM 585 C TYR A 40 7.123 8.958 -1.235 1.00 0.00 C ATOM 586 O TYR A 40 7.083 8.359 -0.162 1.00 0.00 O ATOM 587 CB TYR A 40 4.648 8.804 -1.473 1.00 0.00 C ATOM 588 CG TYR A 40 3.327 9.573 -1.517 1.00 0.00 C ATOM 589 CD1 TYR A 40 3.148 10.684 -0.718 1.00 0.00 C ATOM 590 CD2 TYR A 40 2.313 9.156 -2.356 1.00 0.00 C ATOM 591 CE1 TYR A 40 1.904 11.408 -0.759 1.00 0.00 C ATOM 592 CE2 TYR A 40 1.069 9.880 -2.397 1.00 0.00 C ATOM 593 CZ TYR A 40 0.926 10.970 -1.597 1.00 0.00 C ATOM 594 OH TYR A 40 -0.249 11.654 -1.636 1.00 0.00 O ATOM 0 H TYR A 40 5.732 8.913 -3.731 1.00 0.00 H new ATOM 0 HA TYR A 40 5.826 10.647 -1.317 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.603 7.983 -2.189 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.765 8.359 -0.485 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.941 11.010 -0.062 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.453 8.287 -2.982 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.751 12.279 -0.139 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.268 9.564 -3.049 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.854 11.229 -2.279 1.00 0.00 H new ATOM 604 N GLY A 41 8.200 9.055 -2.001 1.00 0.00 N ATOM 605 CA GLY A 41 9.455 8.436 -1.610 1.00 0.00 C ATOM 606 C GLY A 41 9.934 7.446 -2.674 1.00 0.00 C ATOM 607 O GLY A 41 9.250 7.224 -3.672 1.00 0.00 O ATOM 0 H GLY A 41 8.229 9.553 -2.891 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.212 9.205 -1.457 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.329 7.920 -0.658 1.00 0.00 H new ATOM 611 N LYS A 42 11.105 6.879 -2.424 1.00 0.00 N ATOM 612 CA LYS A 42 11.683 5.918 -3.348 1.00 0.00 C ATOM 613 C LYS A 42 11.169 4.518 -3.009 1.00 0.00 C ATOM 614 O LYS A 42 11.336 4.046 -1.885 1.00 0.00 O ATOM 615 CB LYS A 42 13.209 6.029 -3.352 1.00 0.00 C ATOM 616 CG LYS A 42 13.844 4.838 -4.073 1.00 0.00 C ATOM 617 CD LYS A 42 15.363 4.996 -4.159 1.00 0.00 C ATOM 618 CE LYS A 42 16.005 3.772 -4.815 1.00 0.00 C ATOM 619 NZ LYS A 42 16.944 4.187 -5.881 1.00 0.00 N ATOM 0 H LYS A 42 11.669 7.067 -1.595 1.00 0.00 H new ATOM 0 HA LYS A 42 11.368 6.135 -4.369 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.508 6.956 -3.841 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.576 6.076 -2.327 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.600 3.916 -3.545 1.00 0.00 H new ATOM 0 HG3 LYS A 42 13.426 4.751 -5.076 1.00 0.00 H new ATOM 0 HD2 LYS A 42 15.607 5.890 -4.732 1.00 0.00 H new ATOM 0 HD3 LYS A 42 15.775 5.135 -3.160 1.00 0.00 H new ATOM 0 HE2 LYS A 42 16.534 3.186 -4.064 1.00 0.00 H new ATOM 0 HE3 LYS A 42 15.231 3.129 -5.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 17.371 3.344 -6.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 16.430 4.727 -6.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 17.693 4.782 -5.472 1.00 0.00 H new ATOM 633 N ILE A 43 10.554 3.891 -4.002 1.00 0.00 N ATOM 634 CA ILE A 43 10.014 2.554 -3.822 1.00 0.00 C ATOM 635 C ILE A 43 11.120 1.525 -4.069 1.00 0.00 C ATOM 636 O ILE A 43 11.876 1.640 -5.032 1.00 0.00 O ATOM 637 CB ILE A 43 8.779 2.352 -4.702 1.00 0.00 C ATOM 638 CG1 ILE A 43 7.708 3.400 -4.392 1.00 0.00 C ATOM 639 CG2 ILE A 43 8.241 0.926 -4.573 1.00 0.00 C ATOM 640 CD1 ILE A 43 6.540 3.298 -5.376 1.00 0.00 C ATOM 0 H ILE A 43 10.418 4.284 -4.933 1.00 0.00 H new ATOM 0 HA ILE A 43 9.672 2.416 -2.796 1.00 0.00 H new ATOM 0 HB ILE A 43 9.074 2.491 -5.742 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.344 3.263 -3.374 1.00 0.00 H new ATOM 0 HG13 ILE A 43 8.145 4.397 -4.442 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.363 0.809 -5.209 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.010 0.218 -4.882 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.966 0.733 -3.536 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.793 4.054 -5.134 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.904 3.460 -6.391 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.090 2.308 -5.306 1.00 0.00 H new ATOM 652 N VAL A 44 11.179 0.543 -3.181 1.00 0.00 N ATOM 653 CA VAL A 44 12.179 -0.505 -3.291 1.00 0.00 C ATOM 654 C VAL A 44 11.508 -1.798 -3.757 1.00 0.00 C ATOM 655 O VAL A 44 12.146 -2.641 -4.387 1.00 0.00 O ATOM 656 CB VAL A 44 12.920 -0.662 -1.961 1.00 0.00 C ATOM 657 CG1 VAL A 44 13.488 0.678 -1.489 1.00 0.00 C ATOM 658 CG2 VAL A 44 12.011 -1.278 -0.896 1.00 0.00 C ATOM 0 H VAL A 44 10.551 0.451 -2.383 1.00 0.00 H new ATOM 0 HA VAL A 44 12.928 -0.241 -4.037 1.00 0.00 H new ATOM 0 HB VAL A 44 13.756 -1.343 -2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.010 0.539 -0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 44 14.185 1.061 -2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 44 12.674 1.391 -1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.562 -1.379 0.039 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.146 -0.634 -0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.677 -2.261 -1.227 1.00 0.00 H new ATOM 668 N GLY A 45 10.229 -1.915 -3.431 1.00 0.00 N ATOM 669 CA GLY A 45 9.465 -3.091 -3.808 1.00 0.00 C ATOM 670 C GLY A 45 7.962 -2.806 -3.762 1.00 0.00 C ATOM 671 O GLY A 45 7.429 -2.433 -2.718 1.00 0.00 O ATOM 0 H GLY A 45 9.703 -1.214 -2.910 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.748 -3.407 -4.812 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.703 -3.915 -3.135 1.00 0.00 H new ATOM 675 N CYS A 46 7.322 -2.993 -4.907 1.00 0.00 N ATOM 676 CA CYS A 46 5.891 -2.761 -5.010 1.00 0.00 C ATOM 677 C CYS A 46 5.257 -3.970 -5.700 1.00 0.00 C ATOM 678 O CYS A 46 5.777 -4.463 -6.700 1.00 0.00 O ATOM 679 CB CYS A 46 5.581 -1.456 -5.747 1.00 0.00 C ATOM 680 SG CYS A 46 3.807 -1.393 -6.189 1.00 0.00 S ATOM 0 H CYS A 46 7.768 -3.302 -5.771 1.00 0.00 H new ATOM 0 HA CYS A 46 5.466 -2.648 -4.013 1.00 0.00 H new ATOM 0 HB2 CYS A 46 5.838 -0.604 -5.118 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.191 -1.383 -6.647 1.00 0.00 H new ATOM 0 HG CYS A 46 3.101 -1.900 -5.223 1.00 0.00 H new ATOM 686 N SER A 47 4.142 -4.414 -5.139 1.00 0.00 N ATOM 687 CA SER A 47 3.431 -5.556 -5.688 1.00 0.00 C ATOM 688 C SER A 47 1.936 -5.246 -5.784 1.00 0.00 C ATOM 689 O SER A 47 1.401 -4.491 -4.973 1.00 0.00 O ATOM 690 CB SER A 47 3.659 -6.807 -4.837 1.00 0.00 C ATOM 691 OG SER A 47 5.042 -7.031 -4.578 1.00 0.00 O ATOM 0 H SER A 47 3.713 -4.003 -4.310 1.00 0.00 H new ATOM 0 HA SER A 47 3.820 -5.752 -6.687 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.125 -6.705 -3.892 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.241 -7.674 -5.348 1.00 0.00 H new ATOM 0 HG SER A 47 5.146 -7.837 -4.031 1.00 0.00 H new ATOM 697 N VAL A 48 1.303 -5.843 -6.784 1.00 0.00 N ATOM 698 CA VAL A 48 -0.120 -5.639 -6.997 1.00 0.00 C ATOM 699 C VAL A 48 -0.788 -6.987 -7.273 1.00 0.00 C ATOM 700 O VAL A 48 -0.408 -7.692 -8.207 1.00 0.00 O ATOM 701 CB VAL A 48 -0.341 -4.621 -8.117 1.00 0.00 C ATOM 702 CG1 VAL A 48 -1.832 -4.437 -8.405 1.00 0.00 C ATOM 703 CG2 VAL A 48 0.322 -3.284 -7.782 1.00 0.00 C ATOM 0 H VAL A 48 1.750 -6.468 -7.455 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.585 -5.223 -6.103 1.00 0.00 H new ATOM 0 HB VAL A 48 0.129 -5.010 -9.020 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.961 -3.708 -9.205 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.264 -5.390 -8.709 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.335 -4.081 -7.506 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.150 -2.579 -8.595 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.104 -2.887 -6.861 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.394 -3.432 -7.651 1.00 0.00 H new ATOM 713 N HIS A 49 -1.771 -7.306 -6.444 1.00 0.00 N ATOM 714 CA HIS A 49 -2.495 -8.557 -6.588 1.00 0.00 C ATOM 715 C HIS A 49 -3.973 -8.267 -6.858 1.00 0.00 C ATOM 716 O HIS A 49 -4.579 -7.434 -6.186 1.00 0.00 O ATOM 717 CB HIS A 49 -2.281 -9.452 -5.365 1.00 0.00 C ATOM 718 CG HIS A 49 -0.833 -9.620 -4.973 1.00 0.00 C ATOM 719 ND1 HIS A 49 -0.006 -10.570 -5.545 1.00 0.00 N ATOM 720 CD2 HIS A 49 -0.073 -8.948 -4.060 1.00 0.00 C ATOM 721 CE1 HIS A 49 1.195 -10.467 -4.994 1.00 0.00 C ATOM 722 NE2 HIS A 49 1.151 -9.461 -4.074 1.00 0.00 N ATOM 0 H HIS A 49 -2.083 -6.719 -5.670 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.107 -9.109 -7.444 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -2.829 -9.033 -4.521 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.708 -10.434 -5.567 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.410 -8.136 -3.432 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.057 -11.073 -5.232 1.00 0.00 H new ATOM 0 HE2 HIS A 49 1.931 -9.154 -3.492 1.00 0.00 H new ATOM 730 N LYS A 50 -4.510 -8.970 -7.845 1.00 0.00 N ATOM 731 CA LYS A 50 -5.905 -8.798 -8.213 1.00 0.00 C ATOM 732 C LYS A 50 -6.747 -8.642 -6.945 1.00 0.00 C ATOM 733 O LYS A 50 -7.104 -9.632 -6.307 1.00 0.00 O ATOM 734 CB LYS A 50 -6.365 -9.941 -9.119 1.00 0.00 C ATOM 735 CG LYS A 50 -6.984 -9.402 -10.411 1.00 0.00 C ATOM 736 CD LYS A 50 -7.756 -10.498 -11.148 1.00 0.00 C ATOM 737 CE LYS A 50 -7.875 -10.177 -12.639 1.00 0.00 C ATOM 738 NZ LYS A 50 -7.170 -11.197 -13.446 1.00 0.00 N ATOM 0 H LYS A 50 -4.004 -9.660 -8.401 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.035 -7.887 -8.797 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.518 -10.584 -9.358 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.094 -10.557 -8.592 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.653 -8.574 -10.180 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.200 -9.007 -11.057 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.250 -11.455 -11.018 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.751 -10.602 -10.714 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.926 -10.140 -12.926 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.455 -9.192 -12.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.260 -10.964 -14.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.164 -11.213 -13.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.589 -12.132 -13.267 1.00 0.00 H new ATOM 752 N GLY A 51 -7.039 -7.392 -6.616 1.00 0.00 N ATOM 753 CA GLY A 51 -7.832 -7.094 -5.436 1.00 0.00 C ATOM 754 C GLY A 51 -7.165 -6.012 -4.586 1.00 0.00 C ATOM 755 O GLY A 51 -7.830 -5.093 -4.110 1.00 0.00 O ATOM 0 H GLY A 51 -6.740 -6.574 -7.147 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.827 -6.764 -5.736 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.962 -7.999 -4.843 1.00 0.00 H new ATOM 759 N PHE A 52 -5.858 -6.156 -4.420 1.00 0.00 N ATOM 760 CA PHE A 52 -5.093 -5.202 -3.636 1.00 0.00 C ATOM 761 C PHE A 52 -3.661 -5.084 -4.161 1.00 0.00 C ATOM 762 O PHE A 52 -3.331 -5.642 -5.206 1.00 0.00 O ATOM 763 CB PHE A 52 -5.056 -5.731 -2.201 1.00 0.00 C ATOM 764 CG PHE A 52 -4.731 -7.223 -2.096 1.00 0.00 C ATOM 765 CD1 PHE A 52 -3.436 -7.639 -2.115 1.00 0.00 C ATOM 766 CD2 PHE A 52 -5.736 -8.132 -1.982 1.00 0.00 C ATOM 767 CE1 PHE A 52 -3.134 -9.024 -2.018 1.00 0.00 C ATOM 768 CE2 PHE A 52 -5.434 -9.516 -1.885 1.00 0.00 C ATOM 769 CZ PHE A 52 -4.139 -9.933 -1.905 1.00 0.00 C ATOM 0 H PHE A 52 -5.310 -6.920 -4.816 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.555 -4.216 -3.695 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.314 -5.167 -1.636 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.022 -5.546 -1.731 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.638 -6.917 -2.204 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.764 -7.801 -1.965 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.106 -9.355 -2.034 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.232 -10.238 -1.795 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.909 -10.986 -1.831 1.00 0.00 H new ATOM 779 N ALA A 53 -2.848 -4.354 -3.411 1.00 0.00 N ATOM 780 CA ALA A 53 -1.459 -4.156 -3.787 1.00 0.00 C ATOM 781 C ALA A 53 -0.653 -3.748 -2.552 1.00 0.00 C ATOM 782 O ALA A 53 -1.222 -3.504 -1.488 1.00 0.00 O ATOM 783 CB ALA A 53 -1.376 -3.116 -4.906 1.00 0.00 C ATOM 0 H ALA A 53 -3.125 -3.893 -2.545 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.030 -5.082 -4.169 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.334 -2.967 -5.188 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.940 -3.466 -5.771 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.796 -2.172 -4.557 1.00 0.00 H new ATOM 789 N PHE A 54 0.658 -3.686 -2.733 1.00 0.00 N ATOM 790 CA PHE A 54 1.547 -3.312 -1.647 1.00 0.00 C ATOM 791 C PHE A 54 2.777 -2.572 -2.175 1.00 0.00 C ATOM 792 O PHE A 54 3.335 -2.946 -3.206 1.00 0.00 O ATOM 793 CB PHE A 54 1.997 -4.609 -0.971 1.00 0.00 C ATOM 794 CG PHE A 54 1.186 -4.976 0.274 1.00 0.00 C ATOM 795 CD1 PHE A 54 -0.030 -5.571 0.142 1.00 0.00 C ATOM 796 CD2 PHE A 54 1.681 -4.708 1.512 1.00 0.00 C ATOM 797 CE1 PHE A 54 -0.782 -5.912 1.297 1.00 0.00 C ATOM 798 CE2 PHE A 54 0.928 -5.048 2.666 1.00 0.00 C ATOM 799 CZ PHE A 54 -0.288 -5.643 2.534 1.00 0.00 C ATOM 0 H PHE A 54 1.126 -3.889 -3.616 1.00 0.00 H new ATOM 0 HA PHE A 54 1.029 -2.650 -0.953 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.928 -5.425 -1.691 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.047 -4.517 -0.694 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.423 -5.784 -0.841 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.647 -4.237 1.617 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.747 -6.385 1.192 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.321 -4.834 3.649 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.861 -5.902 3.412 1.00 0.00 H new ATOM 809 N VAL A 55 3.164 -1.537 -1.445 1.00 0.00 N ATOM 810 CA VAL A 55 4.319 -0.741 -1.828 1.00 0.00 C ATOM 811 C VAL A 55 5.332 -0.737 -0.681 1.00 0.00 C ATOM 812 O VAL A 55 4.951 -0.711 0.488 1.00 0.00 O ATOM 813 CB VAL A 55 3.873 0.664 -2.237 1.00 0.00 C ATOM 814 CG1 VAL A 55 5.080 1.566 -2.504 1.00 0.00 C ATOM 815 CG2 VAL A 55 2.947 0.613 -3.454 1.00 0.00 C ATOM 0 H VAL A 55 2.699 -1.231 -0.590 1.00 0.00 H new ATOM 0 HA VAL A 55 4.813 -1.176 -2.697 1.00 0.00 H new ATOM 0 HB VAL A 55 3.311 1.092 -1.407 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.735 2.559 -2.793 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.685 1.641 -1.601 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.680 1.142 -3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.645 1.625 -3.724 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.473 0.156 -4.292 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.063 0.022 -3.214 1.00 0.00 H new ATOM 825 N GLN A 56 6.602 -0.763 -1.057 1.00 0.00 N ATOM 826 CA GLN A 56 7.673 -0.762 -0.074 1.00 0.00 C ATOM 827 C GLN A 56 8.623 0.411 -0.326 1.00 0.00 C ATOM 828 O GLN A 56 9.369 0.411 -1.305 1.00 0.00 O ATOM 829 CB GLN A 56 8.428 -2.092 -0.085 1.00 0.00 C ATOM 830 CG GLN A 56 9.522 -2.111 0.985 1.00 0.00 C ATOM 831 CD GLN A 56 9.159 -3.068 2.122 1.00 0.00 C ATOM 832 OE1 GLN A 56 8.421 -4.024 1.952 1.00 0.00 O ATOM 833 NE2 GLN A 56 9.719 -2.759 3.288 1.00 0.00 N ATOM 0 H GLN A 56 6.914 -0.785 -2.028 1.00 0.00 H new ATOM 0 HA GLN A 56 7.232 -0.641 0.916 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.731 -2.912 0.088 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.872 -2.254 -1.067 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.468 -2.414 0.537 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.665 -1.106 1.382 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.328 -1.944 3.361 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.540 -3.337 4.109 1.00 0.00 H new ATOM 842 N TYR A 57 8.566 1.381 0.574 1.00 0.00 N ATOM 843 CA TYR A 57 9.413 2.557 0.461 1.00 0.00 C ATOM 844 C TYR A 57 10.769 2.322 1.128 1.00 0.00 C ATOM 845 O TYR A 57 10.958 1.325 1.824 1.00 0.00 O ATOM 846 CB TYR A 57 8.680 3.677 1.203 1.00 0.00 C ATOM 847 CG TYR A 57 7.408 4.159 0.503 1.00 0.00 C ATOM 848 CD1 TYR A 57 6.259 3.397 0.557 1.00 0.00 C ATOM 849 CD2 TYR A 57 7.410 5.357 -0.183 1.00 0.00 C ATOM 850 CE1 TYR A 57 5.062 3.851 -0.102 1.00 0.00 C ATOM 851 CE2 TYR A 57 6.213 5.811 -0.842 1.00 0.00 C ATOM 852 CZ TYR A 57 5.098 5.036 -0.769 1.00 0.00 C ATOM 853 OH TYR A 57 3.968 5.465 -1.392 1.00 0.00 O ATOM 0 H TYR A 57 7.947 1.377 1.385 1.00 0.00 H new ATOM 0 HA TYR A 57 9.596 2.799 -0.586 1.00 0.00 H new ATOM 0 HB2 TYR A 57 8.422 3.328 2.203 1.00 0.00 H new ATOM 0 HB3 TYR A 57 9.358 4.522 1.325 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.257 2.460 1.094 1.00 0.00 H new ATOM 0 HD2 TYR A 57 8.309 5.954 -0.225 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.156 3.264 -0.068 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.201 6.746 -1.382 1.00 0.00 H new ATOM 0 HH TYR A 57 4.210 6.003 -2.174 1.00 0.00 H new ATOM 863 N VAL A 58 11.679 3.256 0.893 1.00 0.00 N ATOM 864 CA VAL A 58 13.012 3.163 1.462 1.00 0.00 C ATOM 865 C VAL A 58 12.927 3.330 2.980 1.00 0.00 C ATOM 866 O VAL A 58 13.708 2.733 3.719 1.00 0.00 O ATOM 867 CB VAL A 58 13.937 4.185 0.799 1.00 0.00 C ATOM 868 CG1 VAL A 58 15.061 4.605 1.748 1.00 0.00 C ATOM 869 CG2 VAL A 58 14.503 3.642 -0.515 1.00 0.00 C ATOM 0 H VAL A 58 11.519 4.081 0.316 1.00 0.00 H new ATOM 0 HA VAL A 58 13.442 2.181 1.267 1.00 0.00 H new ATOM 0 HB VAL A 58 13.345 5.071 0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.704 5.332 1.251 1.00 0.00 H new ATOM 0 HG12 VAL A 58 14.632 5.053 2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 58 15.649 3.730 2.025 1.00 0.00 H new ATOM 0 HG21 VAL A 58 15.157 4.389 -0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 58 15.071 2.733 -0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.684 3.417 -1.199 1.00 0.00 H new ATOM 879 N ASN A 59 11.971 4.146 3.401 1.00 0.00 N ATOM 880 CA ASN A 59 11.773 4.399 4.818 1.00 0.00 C ATOM 881 C ASN A 59 10.277 4.354 5.135 1.00 0.00 C ATOM 882 O ASN A 59 9.447 4.326 4.228 1.00 0.00 O ATOM 883 CB ASN A 59 12.298 5.782 5.208 1.00 0.00 C ATOM 884 CG ASN A 59 13.710 6.007 4.663 1.00 0.00 C ATOM 885 OD1 ASN A 59 14.663 5.351 5.049 1.00 0.00 O ATOM 886 ND2 ASN A 59 13.790 6.968 3.748 1.00 0.00 N ATOM 0 H ASN A 59 11.325 4.640 2.785 1.00 0.00 H new ATOM 0 HA ASN A 59 12.316 3.636 5.377 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.629 6.551 4.822 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.304 5.880 6.294 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.689 7.195 3.324 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.952 7.479 3.470 1.00 0.00 H new ATOM 893 N GLU A 60 9.979 4.348 6.426 1.00 0.00 N ATOM 894 CA GLU A 60 8.597 4.307 6.875 1.00 0.00 C ATOM 895 C GLU A 60 7.951 5.686 6.731 1.00 0.00 C ATOM 896 O GLU A 60 6.901 5.821 6.104 1.00 0.00 O ATOM 897 CB GLU A 60 8.504 3.806 8.318 1.00 0.00 C ATOM 898 CG GLU A 60 7.147 3.151 8.584 1.00 0.00 C ATOM 899 CD GLU A 60 7.047 2.666 10.032 1.00 0.00 C ATOM 900 OE1 GLU A 60 7.780 1.709 10.362 1.00 0.00 O ATOM 901 OE2 GLU A 60 6.240 3.264 10.777 1.00 0.00 O ATOM 0 H GLU A 60 10.671 4.371 7.175 1.00 0.00 H new ATOM 0 HA GLU A 60 8.052 3.604 6.245 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.302 3.089 8.510 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.651 4.638 9.006 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.349 3.864 8.380 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.005 2.311 7.905 1.00 0.00 H new ATOM 908 N ARG A 61 8.605 6.675 7.322 1.00 0.00 N ATOM 909 CA ARG A 61 8.107 8.039 7.267 1.00 0.00 C ATOM 910 C ARG A 61 7.525 8.337 5.884 1.00 0.00 C ATOM 911 O ARG A 61 6.479 8.973 5.770 1.00 0.00 O ATOM 912 CB ARG A 61 9.219 9.044 7.572 1.00 0.00 C ATOM 913 CG ARG A 61 9.696 8.913 9.019 1.00 0.00 C ATOM 914 CD ARG A 61 10.627 10.067 9.397 1.00 0.00 C ATOM 915 NE ARG A 61 12.029 9.596 9.432 1.00 0.00 N ATOM 916 CZ ARG A 61 13.045 10.296 9.955 1.00 0.00 C ATOM 917 NH1 ARG A 61 12.820 11.503 10.492 1.00 0.00 N ATOM 918 NH2 ARG A 61 14.285 9.789 9.942 1.00 0.00 N ATOM 0 H ARG A 61 9.475 6.559 7.841 1.00 0.00 H new ATOM 0 HA ARG A 61 7.327 8.137 8.022 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.056 8.882 6.893 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.857 10.057 7.395 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.836 8.900 9.689 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.216 7.964 9.150 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.525 10.878 8.676 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.345 10.468 10.370 1.00 0.00 H new ATOM 0 HE ARG A 61 12.235 8.680 9.033 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.876 11.889 10.503 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.593 12.036 10.890 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.456 8.870 9.534 1.00 0.00 H new ATOM 0 HH22 ARG A 61 15.058 10.322 10.340 1.00 0.00 H new ATOM 932 N ASN A 62 8.228 7.862 4.866 1.00 0.00 N ATOM 933 CA ASN A 62 7.795 8.069 3.495 1.00 0.00 C ATOM 934 C ASN A 62 6.548 7.224 3.226 1.00 0.00 C ATOM 935 O ASN A 62 5.533 7.739 2.759 1.00 0.00 O ATOM 936 CB ASN A 62 8.879 7.641 2.504 1.00 0.00 C ATOM 937 CG ASN A 62 9.949 8.726 2.360 1.00 0.00 C ATOM 938 OD1 ASN A 62 9.702 9.906 2.546 1.00 0.00 O ATOM 939 ND2 ASN A 62 11.147 8.261 2.018 1.00 0.00 N ATOM 0 H ASN A 62 9.095 7.334 4.964 1.00 0.00 H new ATOM 0 HA ASN A 62 7.586 9.131 3.364 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.340 6.713 2.842 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.429 7.438 1.532 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.928 8.905 1.896 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.285 7.260 1.878 1.00 0.00 H new ATOM 946 N ALA A 63 6.665 5.940 3.532 1.00 0.00 N ATOM 947 CA ALA A 63 5.560 5.018 3.329 1.00 0.00 C ATOM 948 C ALA A 63 4.282 5.625 3.911 1.00 0.00 C ATOM 949 O ALA A 63 3.322 5.874 3.183 1.00 0.00 O ATOM 950 CB ALA A 63 5.902 3.665 3.956 1.00 0.00 C ATOM 0 H ALA A 63 7.508 5.516 3.919 1.00 0.00 H new ATOM 0 HA ALA A 63 5.390 4.850 2.265 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.073 2.974 3.804 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.800 3.263 3.487 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.076 3.793 5.024 1.00 0.00 H new ATOM 956 N ARG A 64 4.312 5.846 5.217 1.00 0.00 N ATOM 957 CA ARG A 64 3.167 6.420 5.904 1.00 0.00 C ATOM 958 C ARG A 64 2.629 7.623 5.128 1.00 0.00 C ATOM 959 O ARG A 64 1.418 7.820 5.044 1.00 0.00 O ATOM 960 CB ARG A 64 3.541 6.861 7.321 1.00 0.00 C ATOM 961 CG ARG A 64 2.444 7.738 7.929 1.00 0.00 C ATOM 962 CD ARG A 64 2.787 8.126 9.369 1.00 0.00 C ATOM 963 NE ARG A 64 1.613 8.751 10.018 1.00 0.00 N ATOM 964 CZ ARG A 64 1.198 10.001 9.776 1.00 0.00 C ATOM 965 NH1 ARG A 64 1.858 10.769 8.898 1.00 0.00 N ATOM 966 NH2 ARG A 64 0.122 10.485 10.412 1.00 0.00 N ATOM 0 H ARG A 64 5.110 5.638 5.817 1.00 0.00 H new ATOM 0 HA ARG A 64 2.397 5.651 5.965 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.700 5.984 7.949 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.481 7.412 7.298 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.317 8.638 7.327 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.494 7.204 7.909 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.095 7.243 9.929 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.629 8.818 9.377 1.00 0.00 H new ATOM 0 HE ARG A 64 1.087 8.195 10.692 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.677 10.401 8.414 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.541 11.721 8.714 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.381 9.901 11.080 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.194 11.437 10.228 1.00 0.00 H new ATOM 980 N ALA A 65 3.555 8.395 4.579 1.00 0.00 N ATOM 981 CA ALA A 65 3.189 9.574 3.812 1.00 0.00 C ATOM 982 C ALA A 65 2.074 9.210 2.829 1.00 0.00 C ATOM 983 O ALA A 65 0.956 9.710 2.940 1.00 0.00 O ATOM 984 CB ALA A 65 4.428 10.131 3.109 1.00 0.00 C ATOM 0 H ALA A 65 4.559 8.227 4.650 1.00 0.00 H new ATOM 0 HA ALA A 65 2.808 10.357 4.468 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.153 11.015 2.534 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.178 10.400 3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.837 9.375 2.439 1.00 0.00 H new ATOM 990 N ALA A 66 2.419 8.344 1.888 1.00 0.00 N ATOM 991 CA ALA A 66 1.461 7.908 0.885 1.00 0.00 C ATOM 992 C ALA A 66 0.198 7.398 1.581 1.00 0.00 C ATOM 993 O ALA A 66 -0.908 7.837 1.268 1.00 0.00 O ATOM 994 CB ALA A 66 2.105 6.845 -0.007 1.00 0.00 C ATOM 0 H ALA A 66 3.348 7.932 1.798 1.00 0.00 H new ATOM 0 HA ALA A 66 1.171 8.740 0.243 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.387 6.518 -0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.981 7.266 -0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.406 5.993 0.602 1.00 0.00 H new ATOM 1000 N VAL A 67 0.404 6.477 2.512 1.00 0.00 N ATOM 1001 CA VAL A 67 -0.705 5.903 3.254 1.00 0.00 C ATOM 1002 C VAL A 67 -1.617 7.026 3.751 1.00 0.00 C ATOM 1003 O VAL A 67 -2.809 6.813 3.968 1.00 0.00 O ATOM 1004 CB VAL A 67 -0.176 5.018 4.385 1.00 0.00 C ATOM 1005 CG1 VAL A 67 -1.283 4.692 5.390 1.00 0.00 C ATOM 1006 CG2 VAL A 67 0.457 3.740 3.831 1.00 0.00 C ATOM 0 H VAL A 67 1.322 6.115 2.769 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.303 5.260 2.609 1.00 0.00 H new ATOM 0 HB VAL A 67 0.600 5.574 4.911 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.880 4.062 6.183 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.667 5.617 5.821 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.091 4.165 4.883 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.825 3.129 4.655 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.289 3.179 3.268 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.287 4.000 3.174 1.00 0.00 H new ATOM 1016 N ALA A 68 -1.023 8.198 3.917 1.00 0.00 N ATOM 1017 CA ALA A 68 -1.767 9.356 4.384 1.00 0.00 C ATOM 1018 C ALA A 68 -2.264 10.157 3.179 1.00 0.00 C ATOM 1019 O ALA A 68 -3.324 10.778 3.237 1.00 0.00 O ATOM 1020 CB ALA A 68 -0.883 10.189 5.314 1.00 0.00 C ATOM 0 H ALA A 68 -0.034 8.371 3.736 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.641 9.046 4.957 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.441 11.058 5.664 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.581 9.583 6.168 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.003 10.521 4.773 1.00 0.00 H new ATOM 1026 N GLY A 69 -1.474 10.118 2.116 1.00 0.00 N ATOM 1027 CA GLY A 69 -1.821 10.833 0.900 1.00 0.00 C ATOM 1028 C GLY A 69 -2.641 9.949 -0.041 1.00 0.00 C ATOM 1029 O GLY A 69 -3.848 10.141 -0.185 1.00 0.00 O ATOM 0 H GLY A 69 -0.595 9.602 2.072 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.389 11.729 1.150 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.912 11.162 0.396 1.00 0.00 H new ATOM 1033 N GLU A 70 -1.954 8.999 -0.658 1.00 0.00 N ATOM 1034 CA GLU A 70 -2.604 8.084 -1.581 1.00 0.00 C ATOM 1035 C GLU A 70 -3.993 7.706 -1.064 1.00 0.00 C ATOM 1036 O GLU A 70 -5.004 8.098 -1.645 1.00 0.00 O ATOM 1037 CB GLU A 70 -1.747 6.838 -1.813 1.00 0.00 C ATOM 1038 CG GLU A 70 -1.074 6.882 -3.187 1.00 0.00 C ATOM 1039 CD GLU A 70 -2.098 7.160 -4.289 1.00 0.00 C ATOM 1040 OE1 GLU A 70 -3.084 6.395 -4.354 1.00 0.00 O ATOM 1041 OE2 GLU A 70 -1.872 8.131 -5.042 1.00 0.00 O ATOM 0 H GLU A 70 -0.953 8.843 -0.537 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.720 8.588 -2.540 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.988 6.765 -1.035 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.368 5.946 -1.737 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.306 7.655 -3.195 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.573 5.934 -3.381 1.00 0.00 H new ATOM 1048 N ASP A 71 -3.998 6.948 0.023 1.00 0.00 N ATOM 1049 CA ASP A 71 -5.247 6.512 0.626 1.00 0.00 C ATOM 1050 C ASP A 71 -6.268 7.649 0.551 1.00 0.00 C ATOM 1051 O ASP A 71 -6.074 8.703 1.155 1.00 0.00 O ATOM 1052 CB ASP A 71 -5.050 6.149 2.099 1.00 0.00 C ATOM 1053 CG ASP A 71 -6.340 5.883 2.877 1.00 0.00 C ATOM 1054 OD1 ASP A 71 -6.865 4.757 2.737 1.00 0.00 O ATOM 1055 OD2 ASP A 71 -6.773 6.811 3.593 1.00 0.00 O ATOM 0 H ASP A 71 -3.157 6.625 0.502 1.00 0.00 H new ATOM 0 HA ASP A 71 -5.596 5.634 0.082 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.419 5.263 2.158 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.509 6.959 2.588 1.00 0.00 H new ATOM 1060 N GLY A 72 -7.334 7.397 -0.194 1.00 0.00 N ATOM 1061 CA GLY A 72 -8.386 8.386 -0.355 1.00 0.00 C ATOM 1062 C GLY A 72 -8.329 9.026 -1.744 1.00 0.00 C ATOM 1063 O GLY A 72 -8.789 10.151 -1.932 1.00 0.00 O ATOM 0 H GLY A 72 -7.492 6.522 -0.693 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.358 7.916 -0.207 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.285 9.157 0.409 1.00 0.00 H new ATOM 1067 N ARG A 73 -7.760 8.281 -2.681 1.00 0.00 N ATOM 1068 CA ARG A 73 -7.636 8.762 -4.046 1.00 0.00 C ATOM 1069 C ARG A 73 -8.627 8.034 -4.957 1.00 0.00 C ATOM 1070 O ARG A 73 -8.769 6.815 -4.877 1.00 0.00 O ATOM 1071 CB ARG A 73 -6.217 8.552 -4.578 1.00 0.00 C ATOM 1072 CG ARG A 73 -5.759 9.753 -5.408 1.00 0.00 C ATOM 1073 CD ARG A 73 -4.557 9.389 -6.282 1.00 0.00 C ATOM 1074 NE ARG A 73 -3.896 10.620 -6.771 1.00 0.00 N ATOM 1075 CZ ARG A 73 -4.271 11.286 -7.872 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -5.303 10.845 -8.604 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -3.613 12.394 -8.241 1.00 0.00 N ATOM 0 H ARG A 73 -7.380 7.348 -2.521 1.00 0.00 H new ATOM 0 HA ARG A 73 -7.856 9.830 -4.042 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.531 8.399 -3.745 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -6.184 7.650 -5.188 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.579 10.099 -6.037 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.495 10.578 -4.746 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.849 8.789 -5.710 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.882 8.781 -7.126 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.107 10.984 -6.237 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.804 10.002 -8.323 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.588 11.352 -9.442 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.827 12.730 -7.684 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.898 12.901 -9.079 1.00 0.00 H new ATOM 1091 N MET A 74 -9.287 8.813 -5.802 1.00 0.00 N ATOM 1092 CA MET A 74 -10.260 8.258 -6.726 1.00 0.00 C ATOM 1093 C MET A 74 -9.587 7.799 -8.022 1.00 0.00 C ATOM 1094 O MET A 74 -9.458 8.575 -8.967 1.00 0.00 O ATOM 1095 CB MET A 74 -11.319 9.314 -7.048 1.00 0.00 C ATOM 1096 CG MET A 74 -12.730 8.743 -6.889 1.00 0.00 C ATOM 1097 SD MET A 74 -13.938 10.049 -7.032 1.00 0.00 S ATOM 1098 CE MET A 74 -15.439 9.110 -6.807 1.00 0.00 C ATOM 0 H MET A 74 -9.167 9.824 -5.866 1.00 0.00 H new ATOM 0 HA MET A 74 -10.727 7.393 -6.255 1.00 0.00 H new ATOM 0 HB2 MET A 74 -11.194 10.172 -6.388 1.00 0.00 H new ATOM 0 HB3 MET A 74 -11.181 9.673 -8.068 1.00 0.00 H new ATOM 0 HG2 MET A 74 -12.912 7.984 -7.650 1.00 0.00 H new ATOM 0 HG3 MET A 74 -12.826 8.253 -5.920 1.00 0.00 H new ATOM 0 HE1 MET A 74 -16.251 9.783 -6.532 1.00 0.00 H new ATOM 0 HE2 MET A 74 -15.691 8.598 -7.736 1.00 0.00 H new ATOM 0 HE3 MET A 74 -15.293 8.375 -6.016 1.00 0.00 H new ATOM 1108 N ILE A 75 -9.176 6.539 -8.023 1.00 0.00 N ATOM 1109 CA ILE A 75 -8.519 5.968 -9.186 1.00 0.00 C ATOM 1110 C ILE A 75 -9.490 5.029 -9.905 1.00 0.00 C ATOM 1111 O ILE A 75 -9.975 4.063 -9.318 1.00 0.00 O ATOM 1112 CB ILE A 75 -7.203 5.299 -8.784 1.00 0.00 C ATOM 1113 CG1 ILE A 75 -6.110 5.572 -9.820 1.00 0.00 C ATOM 1114 CG2 ILE A 75 -7.400 3.802 -8.540 1.00 0.00 C ATOM 1115 CD1 ILE A 75 -5.232 6.750 -9.393 1.00 0.00 C ATOM 0 H ILE A 75 -9.285 5.898 -7.237 1.00 0.00 H new ATOM 0 HA ILE A 75 -8.249 6.752 -9.893 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.871 5.737 -7.843 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.494 4.682 -9.947 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.566 5.785 -10.787 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -6.449 3.351 -8.256 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -8.124 3.656 -7.739 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.767 3.330 -9.451 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.464 6.923 -10.146 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.847 7.644 -9.290 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.759 6.524 -8.437 1.00 0.00 H new ATOM 1127 N ALA A 76 -9.746 5.347 -11.166 1.00 0.00 N ATOM 1128 CA ALA A 76 -10.651 4.544 -11.971 1.00 0.00 C ATOM 1129 C ALA A 76 -12.095 4.917 -11.632 1.00 0.00 C ATOM 1130 O ALA A 76 -13.034 4.334 -12.173 1.00 0.00 O ATOM 1131 CB ALA A 76 -10.362 3.060 -11.738 1.00 0.00 C ATOM 0 H ALA A 76 -9.343 6.149 -11.650 1.00 0.00 H new ATOM 0 HA ALA A 76 -10.500 4.743 -13.032 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.041 2.458 -12.342 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.333 2.841 -12.022 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.506 2.822 -10.684 1.00 0.00 H new ATOM 1137 N GLY A 77 -12.229 5.886 -10.738 1.00 0.00 N ATOM 1138 CA GLY A 77 -13.543 6.344 -10.321 1.00 0.00 C ATOM 1139 C GLY A 77 -13.883 5.829 -8.920 1.00 0.00 C ATOM 1140 O GLY A 77 -14.884 6.236 -8.332 1.00 0.00 O ATOM 0 H GLY A 77 -11.448 6.367 -10.291 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.572 7.434 -10.329 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -14.295 6.000 -11.031 1.00 0.00 H new ATOM 1144 N GLN A 78 -13.031 4.943 -8.427 1.00 0.00 N ATOM 1145 CA GLN A 78 -13.228 4.369 -7.107 1.00 0.00 C ATOM 1146 C GLN A 78 -12.095 4.790 -6.170 1.00 0.00 C ATOM 1147 O GLN A 78 -10.967 5.006 -6.612 1.00 0.00 O ATOM 1148 CB GLN A 78 -13.339 2.845 -7.183 1.00 0.00 C ATOM 1149 CG GLN A 78 -14.464 2.423 -8.131 1.00 0.00 C ATOM 1150 CD GLN A 78 -13.909 1.656 -9.333 1.00 0.00 C ATOM 1151 OE1 GLN A 78 -14.041 2.061 -10.476 1.00 0.00 O ATOM 1152 NE2 GLN A 78 -13.282 0.528 -9.012 1.00 0.00 N ATOM 0 H GLN A 78 -12.202 4.608 -8.918 1.00 0.00 H new ATOM 0 HA GLN A 78 -14.166 4.749 -6.704 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -12.393 2.425 -7.525 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -13.526 2.440 -6.188 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -15.180 1.799 -7.596 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -15.004 3.305 -8.476 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -13.207 0.247 -8.034 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -12.876 -0.056 -9.743 1.00 0.00 H new ATOM 1161 N VAL A 79 -12.433 4.894 -4.893 1.00 0.00 N ATOM 1162 CA VAL A 79 -11.458 5.285 -3.890 1.00 0.00 C ATOM 1163 C VAL A 79 -10.573 4.085 -3.550 1.00 0.00 C ATOM 1164 O VAL A 79 -11.048 2.951 -3.506 1.00 0.00 O ATOM 1165 CB VAL A 79 -12.169 5.869 -2.668 1.00 0.00 C ATOM 1166 CG1 VAL A 79 -11.179 6.139 -1.534 1.00 0.00 C ATOM 1167 CG2 VAL A 79 -12.940 7.138 -3.037 1.00 0.00 C ATOM 0 H VAL A 79 -13.369 4.714 -4.530 1.00 0.00 H new ATOM 0 HA VAL A 79 -10.807 6.070 -4.276 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.889 5.130 -2.315 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -11.711 6.554 -0.678 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.695 5.206 -1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.424 6.850 -1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -13.436 7.533 -2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -12.248 7.884 -3.428 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -13.686 6.903 -3.796 1.00 0.00 H new ATOM 1177 N LEU A 80 -9.301 4.375 -3.317 1.00 0.00 N ATOM 1178 CA LEU A 80 -8.345 3.333 -2.982 1.00 0.00 C ATOM 1179 C LEU A 80 -8.171 3.276 -1.463 1.00 0.00 C ATOM 1180 O LEU A 80 -7.883 4.290 -0.829 1.00 0.00 O ATOM 1181 CB LEU A 80 -7.035 3.542 -3.744 1.00 0.00 C ATOM 1182 CG LEU A 80 -7.142 3.555 -5.270 1.00 0.00 C ATOM 1183 CD1 LEU A 80 -5.774 3.795 -5.913 1.00 0.00 C ATOM 1184 CD2 LEU A 80 -7.800 2.273 -5.785 1.00 0.00 C ATOM 0 H LEU A 80 -8.910 5.317 -3.354 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.718 2.358 -3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.597 4.487 -3.422 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.340 2.754 -3.455 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.785 4.386 -5.560 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.878 3.800 -6.998 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.380 4.756 -5.582 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.089 3.001 -5.617 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.864 2.308 -6.873 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.204 1.412 -5.484 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.802 2.185 -5.366 1.00 0.00 H new ATOM 1196 N ASP A 81 -8.352 2.080 -0.922 1.00 0.00 N ATOM 1197 CA ASP A 81 -8.219 1.878 0.510 1.00 0.00 C ATOM 1198 C ASP A 81 -6.801 1.396 0.823 1.00 0.00 C ATOM 1199 O ASP A 81 -6.491 0.218 0.654 1.00 0.00 O ATOM 1200 CB ASP A 81 -9.200 0.816 1.011 1.00 0.00 C ATOM 1201 CG ASP A 81 -10.666 1.254 1.040 1.00 0.00 C ATOM 1202 OD1 ASP A 81 -11.068 1.820 2.080 1.00 0.00 O ATOM 1203 OD2 ASP A 81 -11.351 1.012 0.023 1.00 0.00 O ATOM 0 H ASP A 81 -8.590 1.241 -1.451 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.430 2.826 1.005 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -9.112 -0.066 0.377 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.906 0.516 2.017 1.00 0.00 H new ATOM 1208 N ILE A 82 -5.978 2.332 1.273 1.00 0.00 N ATOM 1209 CA ILE A 82 -4.600 2.017 1.611 1.00 0.00 C ATOM 1210 C ILE A 82 -4.386 2.229 3.111 1.00 0.00 C ATOM 1211 O ILE A 82 -5.111 2.996 3.743 1.00 0.00 O ATOM 1212 CB ILE A 82 -3.637 2.819 0.733 1.00 0.00 C ATOM 1213 CG1 ILE A 82 -4.196 2.990 -0.680 1.00 0.00 C ATOM 1214 CG2 ILE A 82 -2.245 2.184 0.725 1.00 0.00 C ATOM 1215 CD1 ILE A 82 -3.182 3.684 -1.592 1.00 0.00 C ATOM 0 H ILE A 82 -6.239 3.308 1.411 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.387 0.968 1.403 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.534 3.816 1.161 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.454 2.015 -1.093 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -5.116 3.574 -0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.580 2.773 0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.851 2.157 1.741 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.311 1.168 0.334 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.605 3.793 -2.590 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.945 4.669 -1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.273 3.086 -1.647 1.00 0.00 H new ATOM 1227 N ASN A 83 -3.388 1.535 3.637 1.00 0.00 N ATOM 1228 CA ASN A 83 -3.069 1.637 5.051 1.00 0.00 C ATOM 1229 C ASN A 83 -1.669 1.070 5.297 1.00 0.00 C ATOM 1230 O ASN A 83 -1.130 0.353 4.456 1.00 0.00 O ATOM 1231 CB ASN A 83 -4.059 0.834 5.898 1.00 0.00 C ATOM 1232 CG ASN A 83 -3.563 0.697 7.339 1.00 0.00 C ATOM 1233 OD1 ASN A 83 -3.485 1.655 8.090 1.00 0.00 O ATOM 1234 ND2 ASN A 83 -3.231 -0.545 7.681 1.00 0.00 N ATOM 0 H ASN A 83 -2.789 0.900 3.109 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.122 2.689 5.333 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.032 1.325 5.890 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.198 -0.155 5.462 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.887 -0.740 8.621 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -3.320 -1.302 7.003 1.00 0.00 H new ATOM 1241 N LEU A 84 -1.121 1.414 6.453 1.00 0.00 N ATOM 1242 CA LEU A 84 0.206 0.949 6.819 1.00 0.00 C ATOM 1243 C LEU A 84 0.112 -0.484 7.346 1.00 0.00 C ATOM 1244 O LEU A 84 -0.778 -0.803 8.133 1.00 0.00 O ATOM 1245 CB LEU A 84 0.863 1.922 7.800 1.00 0.00 C ATOM 1246 CG LEU A 84 2.098 2.663 7.284 1.00 0.00 C ATOM 1247 CD1 LEU A 84 2.633 3.638 8.336 1.00 0.00 C ATOM 1248 CD2 LEU A 84 3.172 1.680 6.815 1.00 0.00 C ATOM 0 H LEU A 84 -1.572 2.009 7.148 1.00 0.00 H new ATOM 0 HA LEU A 84 0.856 0.926 5.944 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.120 2.661 8.101 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.144 1.369 8.696 1.00 0.00 H new ATOM 0 HG LEU A 84 1.803 3.255 6.417 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.511 4.151 7.943 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.863 4.370 8.579 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.907 3.088 9.236 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.039 2.233 6.453 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.470 1.042 7.647 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.774 1.063 6.010 1.00 0.00 H new ATOM 1260 N ALA A 85 1.042 -1.311 6.889 1.00 0.00 N ATOM 1261 CA ALA A 85 1.075 -2.703 7.304 1.00 0.00 C ATOM 1262 C ALA A 85 1.432 -2.779 8.790 1.00 0.00 C ATOM 1263 O ALA A 85 2.556 -3.134 9.144 1.00 0.00 O ATOM 1264 CB ALA A 85 2.062 -3.474 6.427 1.00 0.00 C ATOM 0 H ALA A 85 1.778 -1.043 6.236 1.00 0.00 H new ATOM 0 HA ALA A 85 0.096 -3.165 7.176 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.087 -4.518 6.738 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.747 -3.413 5.385 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.057 -3.041 6.531 1.00 0.00 H new ATOM 1270 N ALA A 86 0.456 -2.440 9.619 1.00 0.00 N ATOM 1271 CA ALA A 86 0.654 -2.466 11.059 1.00 0.00 C ATOM 1272 C ALA A 86 -0.706 -2.412 11.757 1.00 0.00 C ATOM 1273 O ALA A 86 -0.995 -3.234 12.624 1.00 0.00 O ATOM 1274 CB ALA A 86 1.567 -1.308 11.469 1.00 0.00 C ATOM 0 H ALA A 86 -0.474 -2.146 9.322 1.00 0.00 H new ATOM 0 HA ALA A 86 1.144 -3.391 11.363 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.716 -1.327 12.549 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.530 -1.409 10.968 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.106 -0.363 11.183 1.00 0.00 H new