USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 601 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 MET CE :methyl -104:sc= -2.59 (180deg=-8.47!) USER MOD Set 1.2: A 94 MET CE :methyl -162:sc= -12.1! (180deg=-13.7!) USER MOD Set 2.1: A 31 HIS : no HE2:sc= -2.85 K(o=-2.9,f=-5.3!) USER MOD Set 2.2: A 108 GLN : amide:sc= -0.0486 K(o=-2.9,f=-3.5!) USER MOD Single : A 15 SER OG : rot 34:sc= 0.105 USER MOD Single : A 19 GLN : amide:sc= -0.666 K(o=-0.67,f=-2.9) USER MOD Single : A 24 ASN : amide:sc= -0.0489 X(o=-0.049,f=0.19) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.251 K(o=-0.25,f=-1.1) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.15) USER MOD Single : A 57 GLN : amide:sc= -0.0378 K(o=-0.038,f=-1.3!) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 65 ASN : amide:sc= -3.17! C(o=-3.2!,f=-5.7!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc=-0.000216 K(o=-0.00022,f=-1.5) USER MOD Single : A 74 MET CE :methyl -132:sc=-0.00369 (180deg=-0.187) USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc=-0.00273 K(o=-0.0027,f=-1.6!) USER MOD Single : A 80 GLN : amide:sc= -2.11 K(o=-2.1,f=-4.3!) USER MOD Single : A 82 MET CE :methyl -104:sc= -0.203 (180deg=-0.719) USER MOD Single : A 84 ASN : amide:sc= -0.926 K(o=-0.93,f=-3!) USER MOD Single : A 85 GLN : amide:sc= -0.299 X(o=-0.3,f=0) USER MOD Single : A 86 CYS SG : rot 180:sc= -2.72! USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 96 GLN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 97 GLN : amide:sc= -1.99! C(o=-2!,f=-5.9!) USER MOD Single : A 99 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.263) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.0938 K(o=-0.094,f=-1.6!) USER MOD Single : A 110 ASN : amide:sc= -1.45 K(o=-1.4,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 217 N SER A 15 -40.908 -12.909 16.381 1.00 0.00 N ATOM 218 CA SER A 15 -42.285 -13.400 16.087 1.00 0.00 C ATOM 219 C SER A 15 -42.676 -12.999 14.664 1.00 0.00 C ATOM 220 O SER A 15 -43.460 -13.662 14.015 1.00 0.00 O ATOM 221 CB SER A 15 -43.270 -12.784 17.081 1.00 0.00 C ATOM 222 OG SER A 15 -42.899 -13.145 18.403 1.00 0.00 O ATOM 0 HA SER A 15 -42.311 -14.486 16.178 1.00 0.00 H new ATOM 0 HB2 SER A 15 -43.276 -11.699 16.977 1.00 0.00 H new ATOM 0 HB3 SER A 15 -44.281 -13.130 16.869 1.00 0.00 H new ATOM 0 HG SER A 15 -41.922 -13.199 18.466 1.00 0.00 H new ATOM 228 N CYS A 16 -42.138 -11.916 14.174 1.00 0.00 N ATOM 229 CA CYS A 16 -42.481 -11.473 12.794 1.00 0.00 C ATOM 230 C CYS A 16 -42.007 -12.525 11.789 1.00 0.00 C ATOM 231 O CYS A 16 -42.800 -13.207 11.170 1.00 0.00 O ATOM 232 CB CYS A 16 -41.793 -10.140 12.500 1.00 0.00 C ATOM 233 SG CYS A 16 -42.428 -9.463 10.945 1.00 0.00 S ATOM 0 H CYS A 16 -41.476 -11.319 14.670 1.00 0.00 H new ATOM 0 HA CYS A 16 -43.561 -11.350 12.710 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -41.973 -9.438 13.315 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -40.714 -10.282 12.434 1.00 0.00 H new ATOM 238 N GLU A 17 -40.720 -12.665 11.624 1.00 0.00 N ATOM 239 CA GLU A 17 -40.199 -13.676 10.661 1.00 0.00 C ATOM 240 C GLU A 17 -40.830 -15.038 10.963 1.00 0.00 C ATOM 241 O GLU A 17 -40.866 -15.915 10.123 1.00 0.00 O ATOM 242 CB GLU A 17 -38.679 -13.776 10.799 1.00 0.00 C ATOM 243 CG GLU A 17 -38.051 -12.405 10.542 1.00 0.00 C ATOM 244 CD GLU A 17 -36.532 -12.502 10.697 1.00 0.00 C ATOM 245 OE1 GLU A 17 -36.068 -13.526 11.170 1.00 0.00 O ATOM 246 OE2 GLU A 17 -35.858 -11.549 10.339 1.00 0.00 O ATOM 0 H GLU A 17 -40.008 -12.124 12.114 1.00 0.00 H new ATOM 0 HA GLU A 17 -40.452 -13.375 9.644 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -38.416 -14.127 11.797 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -38.286 -14.506 10.091 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -38.304 -12.060 9.539 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -38.453 -11.672 11.242 1.00 0.00 H new ATOM 253 N ARG A 18 -41.327 -15.219 12.155 1.00 0.00 N ATOM 254 CA ARG A 18 -41.956 -16.523 12.510 1.00 0.00 C ATOM 255 C ARG A 18 -43.322 -16.634 11.830 1.00 0.00 C ATOM 256 O ARG A 18 -43.838 -17.715 11.626 1.00 0.00 O ATOM 257 CB ARG A 18 -42.135 -16.607 14.028 1.00 0.00 C ATOM 258 CG ARG A 18 -40.808 -17.004 14.678 1.00 0.00 C ATOM 259 CD ARG A 18 -41.002 -17.141 16.189 1.00 0.00 C ATOM 260 NE ARG A 18 -41.528 -18.500 16.500 1.00 0.00 N ATOM 261 CZ ARG A 18 -40.777 -19.550 16.310 1.00 0.00 C ATOM 262 NH1 ARG A 18 -39.498 -19.407 16.093 1.00 0.00 N ATOM 263 NH2 ARG A 18 -41.305 -20.744 16.335 1.00 0.00 N ATOM 0 H ARG A 18 -41.325 -14.521 12.899 1.00 0.00 H new ATOM 0 HA ARG A 18 -41.315 -17.338 12.173 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -42.470 -15.646 14.419 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -42.905 -17.338 14.274 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -40.453 -17.946 14.259 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -40.047 -16.253 14.465 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -40.055 -16.979 16.704 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -41.695 -16.380 16.548 1.00 0.00 H new ATOM 0 HE ARG A 18 -42.475 -18.610 16.862 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -39.085 -18.474 16.072 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -38.911 -20.228 15.945 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -42.305 -20.856 16.503 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -40.718 -21.565 16.186 1.00 0.00 H new ATOM 277 N GLN A 19 -43.911 -15.524 11.475 1.00 0.00 N ATOM 278 CA GLN A 19 -45.242 -15.570 10.806 1.00 0.00 C ATOM 279 C GLN A 19 -45.065 -16.026 9.357 1.00 0.00 C ATOM 280 O GLN A 19 -45.934 -16.651 8.782 1.00 0.00 O ATOM 281 CB GLN A 19 -45.875 -14.177 10.831 1.00 0.00 C ATOM 282 CG GLN A 19 -47.266 -14.236 10.194 1.00 0.00 C ATOM 283 CD GLN A 19 -48.228 -14.964 11.134 1.00 0.00 C ATOM 284 OE1 GLN A 19 -48.355 -14.606 12.288 1.00 0.00 O ATOM 285 NE2 GLN A 19 -48.916 -15.978 10.685 1.00 0.00 N ATOM 0 H GLN A 19 -43.529 -14.589 11.619 1.00 0.00 H new ATOM 0 HA GLN A 19 -45.891 -16.271 11.332 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -45.949 -13.818 11.857 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -45.246 -13.470 10.290 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -47.629 -13.228 9.995 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -47.217 -14.753 9.235 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -48.809 -16.278 9.716 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -49.561 -16.470 11.303 1.00 0.00 H new ATOM 294 N VAL A 20 -43.944 -15.720 8.765 1.00 0.00 N ATOM 295 CA VAL A 20 -43.709 -16.139 7.355 1.00 0.00 C ATOM 296 C VAL A 20 -43.703 -17.667 7.278 1.00 0.00 C ATOM 297 O VAL A 20 -44.134 -18.251 6.303 1.00 0.00 O ATOM 298 CB VAL A 20 -42.359 -15.596 6.880 1.00 0.00 C ATOM 299 CG1 VAL A 20 -42.083 -16.087 5.458 1.00 0.00 C ATOM 300 CG2 VAL A 20 -42.392 -14.066 6.893 1.00 0.00 C ATOM 0 H VAL A 20 -43.181 -15.198 9.196 1.00 0.00 H new ATOM 0 HA VAL A 20 -44.501 -15.745 6.718 1.00 0.00 H new ATOM 0 HB VAL A 20 -41.571 -15.949 7.546 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -41.122 -15.700 5.120 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -42.060 -17.177 5.447 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -42.871 -15.734 4.792 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -41.431 -13.678 6.555 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -43.180 -13.713 6.227 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -42.589 -13.715 7.906 1.00 0.00 H new ATOM 310 N ASP A 21 -43.219 -18.318 8.299 1.00 0.00 N ATOM 311 CA ASP A 21 -43.188 -19.807 8.287 1.00 0.00 C ATOM 312 C ASP A 21 -44.619 -20.344 8.206 1.00 0.00 C ATOM 313 O ASP A 21 -44.847 -21.476 7.833 1.00 0.00 O ATOM 314 CB ASP A 21 -42.526 -20.314 9.570 1.00 0.00 C ATOM 315 CG ASP A 21 -41.009 -20.147 9.460 1.00 0.00 C ATOM 316 OD1 ASP A 21 -40.555 -19.721 8.412 1.00 0.00 O ATOM 317 OD2 ASP A 21 -40.328 -20.451 10.426 1.00 0.00 O ATOM 0 H ASP A 21 -42.843 -17.883 9.142 1.00 0.00 H new ATOM 0 HA ASP A 21 -42.619 -20.152 7.424 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -42.902 -19.760 10.430 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -42.777 -21.362 9.732 1.00 0.00 H new ATOM 322 N ARG A 22 -45.584 -19.535 8.551 1.00 0.00 N ATOM 323 CA ARG A 22 -46.998 -19.998 8.495 1.00 0.00 C ATOM 324 C ARG A 22 -47.659 -19.464 7.221 1.00 0.00 C ATOM 325 O ARG A 22 -48.738 -19.880 6.850 1.00 0.00 O ATOM 326 CB ARG A 22 -47.755 -19.476 9.719 1.00 0.00 C ATOM 327 CG ARG A 22 -47.051 -19.947 10.992 1.00 0.00 C ATOM 328 CD ARG A 22 -47.781 -19.387 12.214 1.00 0.00 C ATOM 329 NE ARG A 22 -47.016 -19.723 13.449 1.00 0.00 N ATOM 330 CZ ARG A 22 -47.560 -19.547 14.622 1.00 0.00 C ATOM 331 NH1 ARG A 22 -48.690 -18.902 14.729 1.00 0.00 N ATOM 332 NH2 ARG A 22 -46.974 -20.017 15.690 1.00 0.00 N ATOM 0 H ARG A 22 -45.453 -18.575 8.869 1.00 0.00 H new ATOM 0 HA ARG A 22 -47.024 -21.088 8.489 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -47.798 -18.387 9.696 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -48.784 -19.836 9.705 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -47.037 -21.036 11.031 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -46.013 -19.614 10.991 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -47.888 -18.306 12.123 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -48.787 -19.803 12.272 1.00 0.00 H new ATOM 0 HE ARG A 22 -46.067 -20.091 13.377 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -49.149 -18.535 13.895 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -49.114 -18.765 15.646 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -46.091 -20.521 15.607 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -47.399 -19.880 16.607 1.00 0.00 H new ATOM 346 N VAL A 23 -47.019 -18.546 6.549 1.00 0.00 N ATOM 347 CA VAL A 23 -47.612 -17.989 5.301 1.00 0.00 C ATOM 348 C VAL A 23 -47.933 -19.130 4.336 1.00 0.00 C ATOM 349 O VAL A 23 -49.025 -19.663 4.330 1.00 0.00 O ATOM 350 CB VAL A 23 -46.615 -17.030 4.646 1.00 0.00 C ATOM 351 CG1 VAL A 23 -47.092 -16.687 3.233 1.00 0.00 C ATOM 352 CG2 VAL A 23 -46.517 -15.749 5.477 1.00 0.00 C ATOM 0 H VAL A 23 -46.112 -18.158 6.810 1.00 0.00 H new ATOM 0 HA VAL A 23 -48.528 -17.450 5.543 1.00 0.00 H new ATOM 0 HB VAL A 23 -45.635 -17.504 4.594 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -46.383 -16.004 2.765 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -47.161 -17.600 2.641 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -48.072 -16.213 3.285 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -45.807 -15.066 5.011 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -47.497 -15.274 5.530 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -46.178 -15.993 6.484 1.00 0.00 H new ATOM 362 N ASN A 24 -46.991 -19.512 3.520 1.00 0.00 N ATOM 363 CA ASN A 24 -47.242 -20.619 2.556 1.00 0.00 C ATOM 364 C ASN A 24 -48.573 -20.380 1.842 1.00 0.00 C ATOM 365 O ASN A 24 -49.467 -21.201 1.883 1.00 0.00 O ATOM 366 CB ASN A 24 -47.300 -21.948 3.310 1.00 0.00 C ATOM 367 CG ASN A 24 -46.084 -22.064 4.232 1.00 0.00 C ATOM 368 OD1 ASN A 24 -46.218 -22.397 5.393 1.00 0.00 O ATOM 369 ND2 ASN A 24 -44.896 -21.799 3.762 1.00 0.00 N ATOM 0 H ASN A 24 -46.057 -19.105 3.479 1.00 0.00 H new ATOM 0 HA ASN A 24 -46.436 -20.652 1.823 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -48.219 -22.008 3.893 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -47.315 -22.779 2.604 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -44.080 -21.871 4.369 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -44.784 -21.520 2.787 1.00 0.00 H new ATOM 376 N LEU A 25 -48.712 -19.260 1.187 1.00 0.00 N ATOM 377 CA LEU A 25 -49.984 -18.968 0.470 1.00 0.00 C ATOM 378 C LEU A 25 -49.827 -19.327 -1.007 1.00 0.00 C ATOM 379 O LEU A 25 -49.929 -18.483 -1.875 1.00 0.00 O ATOM 380 CB LEU A 25 -50.313 -17.480 0.602 1.00 0.00 C ATOM 381 CG LEU A 25 -51.335 -17.281 1.722 1.00 0.00 C ATOM 382 CD1 LEU A 25 -50.865 -18.017 2.978 1.00 0.00 C ATOM 383 CD2 LEU A 25 -51.474 -15.788 2.028 1.00 0.00 C ATOM 0 H LEU A 25 -47.999 -18.534 1.118 1.00 0.00 H new ATOM 0 HA LEU A 25 -50.791 -19.558 0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -49.407 -16.914 0.817 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -50.710 -17.100 -0.339 1.00 0.00 H new ATOM 0 HG LEU A 25 -52.300 -17.678 1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -51.593 -17.875 3.777 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -50.767 -19.081 2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -49.900 -17.620 3.293 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -52.203 -15.646 2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -50.509 -15.390 2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -51.809 -15.263 1.134 1.00 0.00 H new ATOM 395 N LYS A 26 -49.582 -20.575 -1.303 1.00 0.00 N ATOM 396 CA LYS A 26 -49.420 -20.990 -2.723 1.00 0.00 C ATOM 397 C LYS A 26 -50.750 -20.844 -3.471 1.00 0.00 C ATOM 398 O LYS A 26 -50.775 -20.440 -4.617 1.00 0.00 O ATOM 399 CB LYS A 26 -48.962 -22.449 -2.778 1.00 0.00 C ATOM 400 CG LYS A 26 -47.435 -22.506 -2.714 1.00 0.00 C ATOM 401 CD LYS A 26 -47.004 -23.227 -1.436 1.00 0.00 C ATOM 402 CE LYS A 26 -46.867 -24.725 -1.718 1.00 0.00 C ATOM 403 NZ LYS A 26 -47.191 -25.493 -0.483 1.00 0.00 N ATOM 0 H LYS A 26 -49.487 -21.326 -0.619 1.00 0.00 H new ATOM 0 HA LYS A 26 -48.674 -20.352 -3.197 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -49.393 -23.008 -1.947 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -49.316 -22.918 -3.696 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -47.043 -23.027 -3.588 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -47.022 -21.497 -2.732 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -46.055 -22.825 -1.081 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -47.737 -23.060 -0.647 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -47.537 -25.017 -2.527 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -45.853 -24.953 -2.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -47.098 -26.511 -0.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -46.535 -25.221 0.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -48.166 -25.283 -0.189 1.00 0.00 H new ATOM 417 N PRO A 27 -51.879 -21.178 -2.819 1.00 0.00 N ATOM 418 CA PRO A 27 -53.203 -21.077 -3.447 1.00 0.00 C ATOM 419 C PRO A 27 -53.586 -19.620 -3.717 1.00 0.00 C ATOM 420 O PRO A 27 -54.184 -19.304 -4.726 1.00 0.00 O ATOM 421 CB PRO A 27 -54.143 -21.699 -2.415 1.00 0.00 C ATOM 422 CG PRO A 27 -53.428 -21.541 -1.117 1.00 0.00 C ATOM 423 CD PRO A 27 -51.966 -21.673 -1.432 1.00 0.00 C ATOM 0 HA PRO A 27 -53.241 -21.575 -4.416 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -55.108 -21.193 -2.401 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -54.337 -22.749 -2.636 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -53.644 -20.572 -0.668 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -53.744 -22.301 -0.402 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -51.352 -21.081 -0.753 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -51.627 -22.706 -1.350 1.00 0.00 H new ATOM 431 N CYS A 28 -53.229 -18.727 -2.834 1.00 0.00 N ATOM 432 CA CYS A 28 -53.558 -17.294 -3.063 1.00 0.00 C ATOM 433 C CYS A 28 -52.805 -16.821 -4.307 1.00 0.00 C ATOM 434 O CYS A 28 -53.391 -16.367 -5.274 1.00 0.00 O ATOM 435 CB CYS A 28 -53.126 -16.467 -1.849 1.00 0.00 C ATOM 436 SG CYS A 28 -54.576 -16.082 -0.835 1.00 0.00 S ATOM 0 H CYS A 28 -52.727 -18.928 -1.969 1.00 0.00 H new ATOM 0 HA CYS A 28 -54.632 -17.172 -3.207 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -52.394 -17.020 -1.261 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -52.643 -15.546 -2.176 1.00 0.00 H new ATOM 441 N GLU A 29 -51.505 -16.944 -4.298 1.00 0.00 N ATOM 442 CA GLU A 29 -50.718 -16.523 -5.486 1.00 0.00 C ATOM 443 C GLU A 29 -51.342 -17.156 -6.728 1.00 0.00 C ATOM 444 O GLU A 29 -51.311 -16.600 -7.807 1.00 0.00 O ATOM 445 CB GLU A 29 -49.273 -17.006 -5.342 1.00 0.00 C ATOM 446 CG GLU A 29 -48.365 -16.174 -6.250 1.00 0.00 C ATOM 447 CD GLU A 29 -46.907 -16.583 -6.028 1.00 0.00 C ATOM 448 OE1 GLU A 29 -46.651 -17.291 -5.069 1.00 0.00 O ATOM 449 OE2 GLU A 29 -46.073 -16.180 -6.821 1.00 0.00 O ATOM 0 H GLU A 29 -50.958 -17.316 -3.522 1.00 0.00 H new ATOM 0 HA GLU A 29 -50.724 -15.436 -5.572 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -48.950 -16.916 -4.305 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -49.203 -18.061 -5.607 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -48.641 -16.324 -7.294 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -48.493 -15.113 -6.036 1.00 0.00 H new ATOM 456 N GLN A 30 -51.906 -18.324 -6.578 1.00 0.00 N ATOM 457 CA GLN A 30 -52.531 -19.009 -7.741 1.00 0.00 C ATOM 458 C GLN A 30 -53.799 -18.264 -8.168 1.00 0.00 C ATOM 459 O GLN A 30 -54.192 -18.310 -9.317 1.00 0.00 O ATOM 460 CB GLN A 30 -52.893 -20.443 -7.349 1.00 0.00 C ATOM 461 CG GLN A 30 -53.261 -21.237 -8.602 1.00 0.00 C ATOM 462 CD GLN A 30 -51.996 -21.520 -9.416 1.00 0.00 C ATOM 463 OE1 GLN A 30 -50.969 -21.860 -8.864 1.00 0.00 O ATOM 464 NE2 GLN A 30 -52.029 -21.391 -10.714 1.00 0.00 N ATOM 0 H GLN A 30 -51.960 -18.833 -5.696 1.00 0.00 H new ATOM 0 HA GLN A 30 -51.826 -19.020 -8.572 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -52.053 -20.915 -6.840 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -53.729 -20.440 -6.649 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -53.744 -22.173 -8.323 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -53.976 -20.676 -9.204 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -52.892 -21.105 -11.176 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -51.192 -21.576 -11.266 1.00 0.00 H new ATOM 473 N HIS A 31 -54.442 -17.569 -7.265 1.00 0.00 N ATOM 474 CA HIS A 31 -55.671 -16.827 -7.649 1.00 0.00 C ATOM 475 C HIS A 31 -55.239 -15.549 -8.352 1.00 0.00 C ATOM 476 O HIS A 31 -55.996 -14.922 -9.066 1.00 0.00 O ATOM 477 CB HIS A 31 -56.476 -16.486 -6.389 1.00 0.00 C ATOM 478 CG HIS A 31 -57.374 -15.309 -6.659 1.00 0.00 C ATOM 479 ND1 HIS A 31 -58.449 -15.385 -7.530 1.00 0.00 N ATOM 480 CD2 HIS A 31 -57.370 -14.022 -6.179 1.00 0.00 C ATOM 481 CE1 HIS A 31 -59.043 -14.177 -7.548 1.00 0.00 C ATOM 482 NE2 HIS A 31 -58.425 -13.310 -6.741 1.00 0.00 N ATOM 0 H HIS A 31 -54.168 -17.486 -6.286 1.00 0.00 H new ATOM 0 HA HIS A 31 -56.297 -17.428 -8.309 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -57.071 -17.346 -6.083 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -55.800 -16.257 -5.565 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -58.738 -16.207 -8.061 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -56.657 -13.623 -5.473 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -59.913 -13.938 -8.142 1.00 0.00 H new ATOM 490 N ILE A 32 -54.012 -15.169 -8.149 1.00 0.00 N ATOM 491 CA ILE A 32 -53.492 -13.939 -8.797 1.00 0.00 C ATOM 492 C ILE A 32 -52.856 -14.304 -10.136 1.00 0.00 C ATOM 493 O ILE A 32 -53.055 -13.640 -11.133 1.00 0.00 O ATOM 494 CB ILE A 32 -52.444 -13.288 -7.893 1.00 0.00 C ATOM 495 CG1 ILE A 32 -52.420 -13.989 -6.534 1.00 0.00 C ATOM 496 CG2 ILE A 32 -52.809 -11.827 -7.690 1.00 0.00 C ATOM 497 CD1 ILE A 32 -51.539 -13.196 -5.564 1.00 0.00 C ATOM 0 H ILE A 32 -53.343 -15.662 -7.558 1.00 0.00 H new ATOM 0 HA ILE A 32 -54.311 -13.239 -8.961 1.00 0.00 H new ATOM 0 HB ILE A 32 -51.462 -13.372 -8.358 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -53.432 -14.071 -6.138 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -52.037 -15.004 -6.643 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -52.068 -11.353 -7.046 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -52.830 -11.320 -8.655 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -53.792 -11.759 -7.223 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -51.522 -13.696 -4.596 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -50.525 -13.137 -5.959 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -51.942 -12.190 -5.446 1.00 0.00 H new ATOM 509 N MET A 33 -52.091 -15.360 -10.167 1.00 0.00 N ATOM 510 CA MET A 33 -51.445 -15.772 -11.442 1.00 0.00 C ATOM 511 C MET A 33 -52.528 -16.112 -12.467 1.00 0.00 C ATOM 512 O MET A 33 -52.377 -15.873 -13.648 1.00 0.00 O ATOM 513 CB MET A 33 -50.570 -17.003 -11.197 1.00 0.00 C ATOM 514 CG MET A 33 -49.397 -16.624 -10.292 1.00 0.00 C ATOM 515 SD MET A 33 -48.322 -18.062 -10.067 1.00 0.00 S ATOM 516 CE MET A 33 -46.965 -17.205 -9.233 1.00 0.00 C ATOM 0 H MET A 33 -51.886 -15.955 -9.364 1.00 0.00 H new ATOM 0 HA MET A 33 -50.826 -14.958 -11.819 1.00 0.00 H new ATOM 0 HB2 MET A 33 -51.159 -17.795 -10.734 1.00 0.00 H new ATOM 0 HB3 MET A 33 -50.200 -17.394 -12.145 1.00 0.00 H new ATOM 0 HG2 MET A 33 -48.834 -15.801 -10.733 1.00 0.00 H new ATOM 0 HG3 MET A 33 -49.766 -16.277 -9.327 1.00 0.00 H new ATOM 0 HE1 MET A 33 -46.139 -17.065 -9.931 1.00 0.00 H new ATOM 0 HE2 MET A 33 -47.311 -16.233 -8.880 1.00 0.00 H new ATOM 0 HE3 MET A 33 -46.626 -17.799 -8.385 1.00 0.00 H new ATOM 526 N GLN A 34 -53.622 -16.670 -12.023 1.00 0.00 N ATOM 527 CA GLN A 34 -54.714 -17.026 -12.971 1.00 0.00 C ATOM 528 C GLN A 34 -55.275 -15.754 -13.611 1.00 0.00 C ATOM 529 O GLN A 34 -55.415 -15.665 -14.814 1.00 0.00 O ATOM 530 CB GLN A 34 -55.830 -17.748 -12.216 1.00 0.00 C ATOM 531 CG GLN A 34 -57.011 -17.984 -13.161 1.00 0.00 C ATOM 532 CD GLN A 34 -58.206 -18.512 -12.364 1.00 0.00 C ATOM 533 OE1 GLN A 34 -58.766 -17.808 -11.547 1.00 0.00 O ATOM 534 NE2 GLN A 34 -58.623 -19.731 -12.570 1.00 0.00 N ATOM 0 H GLN A 34 -53.806 -16.894 -11.045 1.00 0.00 H new ATOM 0 HA GLN A 34 -54.317 -17.679 -13.749 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -55.465 -18.699 -11.827 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -56.148 -17.154 -11.359 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -57.278 -17.055 -13.665 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -56.733 -18.698 -13.936 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -58.153 -20.322 -13.256 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -59.419 -20.093 -12.045 1.00 0.00 H new ATOM 543 N ARG A 35 -55.606 -14.771 -12.817 1.00 0.00 N ATOM 544 CA ARG A 35 -56.165 -13.511 -13.385 1.00 0.00 C ATOM 545 C ARG A 35 -55.186 -12.920 -14.401 1.00 0.00 C ATOM 546 O ARG A 35 -55.462 -12.868 -15.583 1.00 0.00 O ATOM 547 CB ARG A 35 -56.391 -12.504 -12.254 1.00 0.00 C ATOM 548 CG ARG A 35 -57.729 -12.793 -11.572 1.00 0.00 C ATOM 549 CD ARG A 35 -58.148 -11.581 -10.738 1.00 0.00 C ATOM 550 NE ARG A 35 -58.944 -12.036 -9.565 1.00 0.00 N ATOM 551 CZ ARG A 35 -60.235 -12.195 -9.674 1.00 0.00 C ATOM 552 NH1 ARG A 35 -61.046 -11.453 -8.973 1.00 0.00 N ATOM 553 NH2 ARG A 35 -60.714 -13.097 -10.486 1.00 0.00 N ATOM 0 H ARG A 35 -55.514 -14.786 -11.801 1.00 0.00 H new ATOM 0 HA ARG A 35 -57.111 -13.728 -13.882 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -55.580 -12.568 -11.529 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -56.385 -11.489 -12.650 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -58.490 -13.014 -12.320 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -57.642 -13.674 -10.935 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -57.266 -11.035 -10.403 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -58.737 -10.894 -11.346 1.00 0.00 H new ATOM 0 HE ARG A 35 -58.480 -12.224 -8.676 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -60.672 -10.747 -8.339 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -62.055 -11.578 -9.059 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -60.080 -13.677 -11.035 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -61.723 -13.222 -10.572 1.00 0.00 H new ATOM 567 N ILE A 36 -54.049 -12.470 -13.950 1.00 0.00 N ATOM 568 CA ILE A 36 -53.056 -11.877 -14.889 1.00 0.00 C ATOM 569 C ILE A 36 -52.952 -12.741 -16.146 1.00 0.00 C ATOM 570 O ILE A 36 -52.796 -12.241 -17.243 1.00 0.00 O ATOM 571 CB ILE A 36 -51.691 -11.805 -14.206 1.00 0.00 C ATOM 572 CG1 ILE A 36 -51.166 -13.221 -13.964 1.00 0.00 C ATOM 573 CG2 ILE A 36 -51.828 -11.075 -12.868 1.00 0.00 C ATOM 574 CD1 ILE A 36 -49.959 -13.167 -13.027 1.00 0.00 C ATOM 0 H ILE A 36 -53.764 -12.487 -12.971 1.00 0.00 H new ATOM 0 HA ILE A 36 -53.379 -10.874 -15.168 1.00 0.00 H new ATOM 0 HB ILE A 36 -50.993 -11.264 -14.845 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -51.950 -13.841 -13.529 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -50.884 -13.682 -14.911 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -50.855 -11.023 -12.380 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -52.201 -10.066 -13.041 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -52.526 -11.615 -12.228 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -49.586 -14.177 -12.856 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -49.174 -12.562 -13.480 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -50.256 -12.724 -12.077 1.00 0.00 H new ATOM 586 N MET A 37 -53.034 -14.032 -15.996 1.00 0.00 N ATOM 587 CA MET A 37 -52.936 -14.927 -17.184 1.00 0.00 C ATOM 588 C MET A 37 -54.053 -14.592 -18.174 1.00 0.00 C ATOM 589 O MET A 37 -53.879 -14.678 -19.373 1.00 0.00 O ATOM 590 CB MET A 37 -53.070 -16.384 -16.737 1.00 0.00 C ATOM 591 CG MET A 37 -51.698 -16.918 -16.320 1.00 0.00 C ATOM 592 SD MET A 37 -51.831 -18.678 -15.921 1.00 0.00 S ATOM 593 CE MET A 37 -51.325 -19.317 -17.537 1.00 0.00 C ATOM 0 H MET A 37 -53.165 -14.508 -15.103 1.00 0.00 H new ATOM 0 HA MET A 37 -51.970 -14.782 -17.667 1.00 0.00 H new ATOM 0 HB2 MET A 37 -53.769 -16.457 -15.904 1.00 0.00 H new ATOM 0 HB3 MET A 37 -53.476 -16.988 -17.548 1.00 0.00 H new ATOM 0 HG2 MET A 37 -50.978 -16.770 -17.125 1.00 0.00 H new ATOM 0 HG3 MET A 37 -51.328 -16.365 -15.456 1.00 0.00 H new ATOM 0 HE1 MET A 37 -51.336 -20.407 -17.517 1.00 0.00 H new ATOM 0 HE2 MET A 37 -52.016 -18.961 -18.301 1.00 0.00 H new ATOM 0 HE3 MET A 37 -50.318 -18.968 -17.767 1.00 0.00 H new ATOM 603 N GLY A 38 -55.197 -14.209 -17.682 1.00 0.00 N ATOM 604 CA GLY A 38 -56.324 -13.869 -18.597 1.00 0.00 C ATOM 605 C GLY A 38 -55.919 -12.695 -19.491 1.00 0.00 C ATOM 606 O GLY A 38 -56.347 -12.588 -20.622 1.00 0.00 O ATOM 0 H GLY A 38 -55.402 -14.116 -16.687 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -56.583 -14.733 -19.209 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -57.211 -13.610 -18.018 1.00 0.00 H new ATOM 865 N ASP A 55 -63.398 -20.798 -6.646 1.00 0.00 N ATOM 866 CA ASP A 55 -64.042 -20.675 -5.309 1.00 0.00 C ATOM 867 C ASP A 55 -63.168 -21.363 -4.259 1.00 0.00 C ATOM 868 O ASP A 55 -63.168 -20.997 -3.100 1.00 0.00 O ATOM 869 CB ASP A 55 -65.419 -21.343 -5.343 1.00 0.00 C ATOM 870 CG ASP A 55 -66.375 -20.496 -6.185 1.00 0.00 C ATOM 871 OD1 ASP A 55 -65.993 -19.398 -6.556 1.00 0.00 O ATOM 872 OD2 ASP A 55 -67.473 -20.961 -6.445 1.00 0.00 O ATOM 0 HA ASP A 55 -64.156 -19.621 -5.055 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -65.339 -22.346 -5.763 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -65.808 -21.452 -4.330 1.00 0.00 H new ATOM 877 N GLN A 56 -62.421 -22.356 -4.655 1.00 0.00 N ATOM 878 CA GLN A 56 -61.546 -23.067 -3.681 1.00 0.00 C ATOM 879 C GLN A 56 -60.414 -22.138 -3.240 1.00 0.00 C ATOM 880 O GLN A 56 -60.086 -22.053 -2.073 1.00 0.00 O ATOM 881 CB GLN A 56 -60.954 -24.314 -4.342 1.00 0.00 C ATOM 882 CG GLN A 56 -60.210 -25.144 -3.295 1.00 0.00 C ATOM 883 CD GLN A 56 -61.220 -25.786 -2.342 1.00 0.00 C ATOM 884 OE1 GLN A 56 -62.052 -26.569 -2.757 1.00 0.00 O ATOM 885 NE2 GLN A 56 -61.185 -25.484 -1.072 1.00 0.00 N ATOM 0 H GLN A 56 -62.379 -22.706 -5.612 1.00 0.00 H new ATOM 0 HA GLN A 56 -62.134 -23.361 -2.812 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -61.747 -24.909 -4.796 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -60.273 -24.025 -5.143 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -59.614 -25.915 -3.783 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -59.519 -24.511 -2.738 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -60.487 -24.827 -0.723 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -61.856 -25.905 -0.429 1.00 0.00 H new ATOM 894 N GLN A 57 -59.815 -21.437 -4.163 1.00 0.00 N ATOM 895 CA GLN A 57 -58.705 -20.513 -3.795 1.00 0.00 C ATOM 896 C GLN A 57 -59.214 -19.488 -2.780 1.00 0.00 C ATOM 897 O GLN A 57 -58.479 -19.019 -1.934 1.00 0.00 O ATOM 898 CB GLN A 57 -58.209 -19.789 -5.048 1.00 0.00 C ATOM 899 CG GLN A 57 -57.695 -20.815 -6.060 1.00 0.00 C ATOM 900 CD GLN A 57 -57.455 -20.128 -7.406 1.00 0.00 C ATOM 901 OE1 GLN A 57 -58.179 -19.227 -7.779 1.00 0.00 O ATOM 902 NE2 GLN A 57 -56.462 -20.519 -8.156 1.00 0.00 N ATOM 0 H GLN A 57 -60.046 -21.464 -5.156 1.00 0.00 H new ATOM 0 HA GLN A 57 -57.885 -21.083 -3.357 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -59.017 -19.203 -5.486 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -57.414 -19.090 -4.787 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -56.770 -21.265 -5.700 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -58.419 -21.622 -6.175 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -55.854 -21.276 -7.843 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -56.294 -20.068 -9.055 1.00 0.00 H new ATOM 911 N GLN A 58 -60.468 -19.136 -2.857 1.00 0.00 N ATOM 912 CA GLN A 58 -61.024 -18.141 -1.898 1.00 0.00 C ATOM 913 C GLN A 58 -60.722 -18.590 -0.466 1.00 0.00 C ATOM 914 O GLN A 58 -60.487 -17.782 0.411 1.00 0.00 O ATOM 915 CB GLN A 58 -62.538 -18.038 -2.090 1.00 0.00 C ATOM 916 CG GLN A 58 -63.083 -16.892 -1.235 1.00 0.00 C ATOM 917 CD GLN A 58 -64.610 -16.862 -1.336 1.00 0.00 C ATOM 918 OE1 GLN A 58 -65.270 -17.829 -1.012 1.00 0.00 O ATOM 919 NE2 GLN A 58 -65.201 -15.785 -1.775 1.00 0.00 N ATOM 0 H GLN A 58 -61.132 -19.495 -3.543 1.00 0.00 H new ATOM 0 HA GLN A 58 -60.568 -17.168 -2.079 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -62.771 -17.865 -3.141 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -63.016 -18.976 -1.808 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -62.779 -17.022 -0.196 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -62.667 -15.943 -1.572 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -64.646 -14.973 -2.047 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -66.218 -15.754 -1.846 1.00 0.00 H new ATOM 928 N ARG A 59 -60.726 -19.872 -0.221 1.00 0.00 N ATOM 929 CA ARG A 59 -60.441 -20.367 1.155 1.00 0.00 C ATOM 930 C ARG A 59 -59.137 -19.749 1.659 1.00 0.00 C ATOM 931 O ARG A 59 -59.008 -19.405 2.817 1.00 0.00 O ATOM 932 CB ARG A 59 -60.312 -21.891 1.136 1.00 0.00 C ATOM 933 CG ARG A 59 -60.219 -22.411 2.572 1.00 0.00 C ATOM 934 CD ARG A 59 -60.112 -23.937 2.558 1.00 0.00 C ATOM 935 NE ARG A 59 -60.057 -24.443 3.957 1.00 0.00 N ATOM 936 CZ ARG A 59 -58.941 -24.922 4.434 1.00 0.00 C ATOM 937 NH1 ARG A 59 -58.819 -26.205 4.645 1.00 0.00 N ATOM 938 NH2 ARG A 59 -57.946 -24.119 4.699 1.00 0.00 N ATOM 0 H ARG A 59 -60.914 -20.597 -0.913 1.00 0.00 H new ATOM 0 HA ARG A 59 -61.258 -20.083 1.819 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -61.171 -22.333 0.632 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -59.426 -22.185 0.573 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -59.351 -21.980 3.070 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -61.098 -22.103 3.139 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -60.967 -24.368 2.038 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -59.220 -24.245 2.013 1.00 0.00 H new ATOM 0 HE ARG A 59 -60.892 -24.415 4.543 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -59.596 -26.832 4.437 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -57.947 -26.580 5.018 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -58.041 -23.117 4.533 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -57.074 -24.494 5.072 1.00 0.00 H new ATOM 952 N CYS A 60 -58.170 -19.599 0.797 1.00 0.00 N ATOM 953 CA CYS A 60 -56.879 -18.996 1.230 1.00 0.00 C ATOM 954 C CYS A 60 -57.171 -17.767 2.092 1.00 0.00 C ATOM 955 O CYS A 60 -57.187 -17.836 3.305 1.00 0.00 O ATOM 956 CB CYS A 60 -56.070 -18.579 -0.001 1.00 0.00 C ATOM 957 SG CYS A 60 -54.650 -17.582 0.517 1.00 0.00 S ATOM 0 H CYS A 60 -58.218 -19.867 -0.186 1.00 0.00 H new ATOM 0 HA CYS A 60 -56.306 -19.723 1.805 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -55.730 -19.462 -0.542 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -56.698 -18.009 -0.685 1.00 0.00 H new ATOM 962 N CYS A 61 -57.406 -16.647 1.470 1.00 0.00 N ATOM 963 CA CYS A 61 -57.703 -15.412 2.247 1.00 0.00 C ATOM 964 C CYS A 61 -58.636 -15.761 3.407 1.00 0.00 C ATOM 965 O CYS A 61 -58.458 -15.309 4.521 1.00 0.00 O ATOM 966 CB CYS A 61 -58.381 -14.384 1.339 1.00 0.00 C ATOM 967 SG CYS A 61 -58.571 -12.822 2.233 1.00 0.00 S ATOM 0 H CYS A 61 -57.405 -16.533 0.456 1.00 0.00 H new ATOM 0 HA CYS A 61 -56.775 -14.993 2.635 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -57.786 -14.230 0.439 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -59.355 -14.753 1.018 1.00 0.00 H new ATOM 972 N ASP A 62 -59.629 -16.567 3.153 1.00 0.00 N ATOM 973 CA ASP A 62 -60.573 -16.950 4.241 1.00 0.00 C ATOM 974 C ASP A 62 -59.777 -17.497 5.424 1.00 0.00 C ATOM 975 O ASP A 62 -60.098 -17.248 6.569 1.00 0.00 O ATOM 976 CB ASP A 62 -61.540 -18.021 3.730 1.00 0.00 C ATOM 977 CG ASP A 62 -62.445 -17.418 2.655 1.00 0.00 C ATOM 978 OD1 ASP A 62 -62.445 -16.205 2.520 1.00 0.00 O ATOM 979 OD2 ASP A 62 -63.124 -18.178 1.984 1.00 0.00 O ATOM 0 H ASP A 62 -59.828 -16.977 2.240 1.00 0.00 H new ATOM 0 HA ASP A 62 -61.143 -16.076 4.556 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -60.983 -18.864 3.321 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -62.142 -18.406 4.553 1.00 0.00 H new ATOM 984 N GLU A 63 -58.734 -18.230 5.159 1.00 0.00 N ATOM 985 CA GLU A 63 -57.912 -18.778 6.271 1.00 0.00 C ATOM 986 C GLU A 63 -57.182 -17.623 6.950 1.00 0.00 C ATOM 987 O GLU A 63 -57.200 -17.486 8.157 1.00 0.00 O ATOM 988 CB GLU A 63 -56.895 -19.780 5.716 1.00 0.00 C ATOM 989 CG GLU A 63 -56.360 -20.653 6.854 1.00 0.00 C ATOM 990 CD GLU A 63 -55.122 -21.412 6.373 1.00 0.00 C ATOM 991 OE1 GLU A 63 -54.903 -21.450 5.174 1.00 0.00 O ATOM 992 OE2 GLU A 63 -54.416 -21.944 7.213 1.00 0.00 O ATOM 0 H GLU A 63 -58.415 -18.473 4.221 1.00 0.00 H new ATOM 0 HA GLU A 63 -58.551 -19.289 6.991 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -57.363 -20.404 4.955 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -56.074 -19.250 5.234 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -56.109 -20.034 7.715 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -57.127 -21.356 7.180 1.00 0.00 H new ATOM 999 N LEU A 64 -56.550 -16.782 6.180 1.00 0.00 N ATOM 1000 CA LEU A 64 -55.829 -15.625 6.775 1.00 0.00 C ATOM 1001 C LEU A 64 -56.824 -14.769 7.562 1.00 0.00 C ATOM 1002 O LEU A 64 -56.442 -13.909 8.331 1.00 0.00 O ATOM 1003 CB LEU A 64 -55.205 -14.784 5.660 1.00 0.00 C ATOM 1004 CG LEU A 64 -54.275 -13.734 6.272 1.00 0.00 C ATOM 1005 CD1 LEU A 64 -52.917 -14.370 6.573 1.00 0.00 C ATOM 1006 CD2 LEU A 64 -54.089 -12.579 5.286 1.00 0.00 C ATOM 0 H LEU A 64 -56.502 -16.847 5.163 1.00 0.00 H new ATOM 0 HA LEU A 64 -55.043 -15.983 7.440 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -54.648 -15.424 4.976 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -55.986 -14.297 5.076 1.00 0.00 H new ATOM 0 HG LEU A 64 -54.713 -13.356 7.196 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -52.254 -13.623 7.009 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -53.048 -15.193 7.276 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -52.480 -14.748 5.649 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -53.427 -11.831 5.722 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -53.651 -12.956 4.362 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -55.056 -12.125 5.071 1.00 0.00 H new ATOM 1018 N ASN A 65 -58.097 -15.004 7.385 1.00 0.00 N ATOM 1019 CA ASN A 65 -59.108 -14.209 8.131 1.00 0.00 C ATOM 1020 C ASN A 65 -59.078 -14.617 9.605 1.00 0.00 C ATOM 1021 O ASN A 65 -59.395 -13.836 10.480 1.00 0.00 O ATOM 1022 CB ASN A 65 -60.500 -14.474 7.556 1.00 0.00 C ATOM 1023 CG ASN A 65 -60.568 -13.948 6.121 1.00 0.00 C ATOM 1024 OD1 ASN A 65 -59.597 -13.434 5.603 1.00 0.00 O ATOM 1025 ND2 ASN A 65 -61.683 -14.057 5.452 1.00 0.00 N ATOM 0 H ASN A 65 -58.477 -15.712 6.756 1.00 0.00 H new ATOM 0 HA ASN A 65 -58.879 -13.148 8.038 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -60.715 -15.542 7.574 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -61.257 -13.986 8.170 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -61.739 -13.711 4.494 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -62.499 -14.489 5.887 1.00 0.00 H new ATOM 1032 N GLU A 66 -58.695 -15.834 9.889 1.00 0.00 N ATOM 1033 CA GLU A 66 -58.648 -16.277 11.313 1.00 0.00 C ATOM 1034 C GLU A 66 -58.167 -17.728 11.402 1.00 0.00 C ATOM 1035 O GLU A 66 -57.647 -18.154 12.415 1.00 0.00 O ATOM 1036 CB GLU A 66 -60.044 -16.167 11.926 1.00 0.00 C ATOM 1037 CG GLU A 66 -59.937 -16.233 13.452 1.00 0.00 C ATOM 1038 CD GLU A 66 -61.315 -15.997 14.071 1.00 0.00 C ATOM 1039 OE1 GLU A 66 -62.243 -15.732 13.324 1.00 0.00 O ATOM 1040 OE2 GLU A 66 -61.421 -16.085 15.284 1.00 0.00 O ATOM 0 H GLU A 66 -58.415 -16.535 9.203 1.00 0.00 H new ATOM 0 HA GLU A 66 -57.953 -15.639 11.859 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -60.513 -15.231 11.624 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -60.678 -16.974 11.560 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -59.551 -17.205 13.758 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -59.232 -15.483 13.810 1.00 0.00 H new ATOM 1093 N THR A 70 -53.051 -15.638 11.963 1.00 0.00 N ATOM 1094 CA THR A 70 -52.066 -14.579 11.602 1.00 0.00 C ATOM 1095 C THR A 70 -51.732 -13.747 12.841 1.00 0.00 C ATOM 1096 O THR A 70 -52.367 -13.864 13.870 1.00 0.00 O ATOM 1097 CB THR A 70 -52.666 -13.672 10.525 1.00 0.00 C ATOM 1098 OG1 THR A 70 -53.439 -12.653 11.144 1.00 0.00 O ATOM 1099 CG2 THR A 70 -53.556 -14.498 9.596 1.00 0.00 C ATOM 0 HA THR A 70 -51.156 -15.044 11.222 1.00 0.00 H new ATOM 0 HB THR A 70 -51.864 -13.218 9.944 1.00 0.00 H new ATOM 0 HG1 THR A 70 -53.823 -12.070 10.456 1.00 0.00 H new ATOM 0 HG21 THR A 70 -53.982 -13.850 8.830 1.00 0.00 H new ATOM 0 HG22 THR A 70 -52.961 -15.279 9.122 1.00 0.00 H new ATOM 0 HG23 THR A 70 -54.360 -14.955 10.173 1.00 0.00 H new ATOM 1107 N GLN A 71 -50.740 -12.904 12.750 1.00 0.00 N ATOM 1108 CA GLN A 71 -50.364 -12.063 13.921 1.00 0.00 C ATOM 1109 C GLN A 71 -49.950 -10.672 13.436 1.00 0.00 C ATOM 1110 O GLN A 71 -50.350 -9.668 13.990 1.00 0.00 O ATOM 1111 CB GLN A 71 -49.195 -12.715 14.663 1.00 0.00 C ATOM 1112 CG GLN A 71 -49.626 -14.084 15.193 1.00 0.00 C ATOM 1113 CD GLN A 71 -48.437 -14.764 15.874 1.00 0.00 C ATOM 1114 OE1 GLN A 71 -47.301 -14.409 15.635 1.00 0.00 O ATOM 1115 NE2 GLN A 71 -48.654 -15.735 16.720 1.00 0.00 N ATOM 0 H GLN A 71 -50.173 -12.761 11.914 1.00 0.00 H new ATOM 0 HA GLN A 71 -51.216 -11.974 14.595 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -48.342 -12.825 13.994 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -48.874 -12.079 15.488 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -50.448 -13.970 15.900 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -49.993 -14.704 14.375 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -49.609 -16.033 16.920 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -47.869 -16.195 17.180 1.00 0.00 H new ATOM 1124 N GLY A 72 -49.151 -10.604 12.406 1.00 0.00 N ATOM 1125 CA GLY A 72 -48.714 -9.277 11.888 1.00 0.00 C ATOM 1126 C GLY A 72 -47.726 -9.478 10.736 1.00 0.00 C ATOM 1127 O GLY A 72 -47.570 -10.567 10.222 1.00 0.00 O ATOM 0 H GLY A 72 -48.782 -11.410 11.901 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -49.577 -8.706 11.545 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -48.246 -8.700 12.686 1.00 0.00 H new ATOM 1131 N CYS A 73 -47.059 -8.434 10.326 1.00 0.00 N ATOM 1132 CA CYS A 73 -46.083 -8.565 9.208 1.00 0.00 C ATOM 1133 C CYS A 73 -46.830 -8.898 7.915 1.00 0.00 C ATOM 1134 O CYS A 73 -46.336 -9.615 7.068 1.00 0.00 O ATOM 1135 CB CYS A 73 -45.090 -9.685 9.526 1.00 0.00 C ATOM 1136 SG CYS A 73 -44.432 -9.449 11.195 1.00 0.00 S ATOM 0 H CYS A 73 -47.148 -7.496 10.717 1.00 0.00 H new ATOM 0 HA CYS A 73 -45.544 -7.626 9.085 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -45.582 -10.655 9.451 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -44.278 -9.683 8.799 1.00 0.00 H new ATOM 1141 N MET A 74 -48.018 -8.384 7.758 1.00 0.00 N ATOM 1142 CA MET A 74 -48.796 -8.671 6.521 1.00 0.00 C ATOM 1143 C MET A 74 -47.909 -8.445 5.295 1.00 0.00 C ATOM 1144 O MET A 74 -47.734 -9.323 4.472 1.00 0.00 O ATOM 1145 CB MET A 74 -50.008 -7.740 6.455 1.00 0.00 C ATOM 1146 CG MET A 74 -50.898 -7.976 7.676 1.00 0.00 C ATOM 1147 SD MET A 74 -52.456 -7.078 7.471 1.00 0.00 S ATOM 1148 CE MET A 74 -53.281 -8.298 6.421 1.00 0.00 C ATOM 0 H MET A 74 -48.484 -7.778 8.433 1.00 0.00 H new ATOM 0 HA MET A 74 -49.134 -9.707 6.536 1.00 0.00 H new ATOM 0 HB2 MET A 74 -49.681 -6.701 6.425 1.00 0.00 H new ATOM 0 HB3 MET A 74 -50.571 -7.923 5.540 1.00 0.00 H new ATOM 0 HG2 MET A 74 -51.093 -9.042 7.796 1.00 0.00 H new ATOM 0 HG3 MET A 74 -50.389 -7.641 8.580 1.00 0.00 H new ATOM 0 HE1 MET A 74 -53.724 -7.797 5.560 1.00 0.00 H new ATOM 0 HE2 MET A 74 -52.554 -9.034 6.078 1.00 0.00 H new ATOM 0 HE3 MET A 74 -54.063 -8.799 6.991 1.00 0.00 H new ATOM 1158 N CYS A 75 -47.346 -7.275 5.165 1.00 0.00 N ATOM 1159 CA CYS A 75 -46.471 -6.996 3.991 1.00 0.00 C ATOM 1160 C CYS A 75 -45.471 -8.140 3.817 1.00 0.00 C ATOM 1161 O CYS A 75 -45.309 -8.676 2.738 1.00 0.00 O ATOM 1162 CB CYS A 75 -45.713 -5.686 4.219 1.00 0.00 C ATOM 1163 SG CYS A 75 -46.850 -4.289 4.027 1.00 0.00 S ATOM 0 H CYS A 75 -47.454 -6.501 5.820 1.00 0.00 H new ATOM 0 HA CYS A 75 -47.084 -6.910 3.094 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -45.274 -5.677 5.216 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -44.891 -5.600 3.508 1.00 0.00 H new ATOM 0 HG CYS A 75 -46.207 -3.176 4.223 1.00 0.00 H new ATOM 1168 N GLU A 76 -44.797 -8.522 4.869 1.00 0.00 N ATOM 1169 CA GLU A 76 -43.812 -9.633 4.755 1.00 0.00 C ATOM 1170 C GLU A 76 -44.539 -10.909 4.327 1.00 0.00 C ATOM 1171 O GLU A 76 -43.931 -11.857 3.869 1.00 0.00 O ATOM 1172 CB GLU A 76 -43.137 -9.861 6.109 1.00 0.00 C ATOM 1173 CG GLU A 76 -41.970 -10.837 5.938 1.00 0.00 C ATOM 1174 CD GLU A 76 -41.377 -11.169 7.308 1.00 0.00 C ATOM 1175 OE1 GLU A 76 -42.017 -10.858 8.300 1.00 0.00 O ATOM 1176 OE2 GLU A 76 -40.294 -11.729 7.344 1.00 0.00 O ATOM 0 H GLU A 76 -44.887 -8.113 5.799 1.00 0.00 H new ATOM 0 HA GLU A 76 -43.056 -9.375 4.014 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -42.778 -8.914 6.512 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -43.857 -10.259 6.824 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -42.313 -11.748 5.448 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -41.206 -10.398 5.296 1.00 0.00 H new ATOM 1183 N ALA A 77 -45.836 -10.937 4.463 1.00 0.00 N ATOM 1184 CA ALA A 77 -46.600 -12.148 4.058 1.00 0.00 C ATOM 1185 C ALA A 77 -46.768 -12.148 2.538 1.00 0.00 C ATOM 1186 O ALA A 77 -46.404 -13.091 1.863 1.00 0.00 O ATOM 1187 CB ALA A 77 -47.977 -12.134 4.726 1.00 0.00 C ATOM 0 H ALA A 77 -46.399 -10.173 4.837 1.00 0.00 H new ATOM 0 HA ALA A 77 -46.061 -13.043 4.368 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -48.535 -13.022 4.428 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -47.856 -12.128 5.809 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -48.522 -11.242 4.417 1.00 0.00 H new ATOM 1193 N LEU A 78 -47.309 -11.094 1.992 1.00 0.00 N ATOM 1194 CA LEU A 78 -47.487 -11.035 0.515 1.00 0.00 C ATOM 1195 C LEU A 78 -46.115 -11.118 -0.153 1.00 0.00 C ATOM 1196 O LEU A 78 -45.931 -11.809 -1.135 1.00 0.00 O ATOM 1197 CB LEU A 78 -48.164 -9.716 0.132 1.00 0.00 C ATOM 1198 CG LEU A 78 -49.646 -9.773 0.508 1.00 0.00 C ATOM 1199 CD1 LEU A 78 -50.265 -11.059 -0.044 1.00 0.00 C ATOM 1200 CD2 LEU A 78 -49.787 -9.751 2.032 1.00 0.00 C ATOM 0 H LEU A 78 -47.634 -10.274 2.503 1.00 0.00 H new ATOM 0 HA LEU A 78 -48.110 -11.866 0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -47.680 -8.885 0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -48.056 -9.537 -0.938 1.00 0.00 H new ATOM 0 HG LEU A 78 -50.161 -8.912 0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -51.321 -11.099 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -50.166 -11.074 -1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -49.750 -11.921 0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -50.843 -9.792 2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -49.271 -10.612 2.458 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -49.348 -8.834 2.425 1.00 0.00 H new ATOM 1212 N GLN A 79 -45.149 -10.418 0.377 1.00 0.00 N ATOM 1213 CA GLN A 79 -43.786 -10.457 -0.220 1.00 0.00 C ATOM 1214 C GLN A 79 -43.269 -11.895 -0.209 1.00 0.00 C ATOM 1215 O GLN A 79 -42.642 -12.349 -1.146 1.00 0.00 O ATOM 1216 CB GLN A 79 -42.845 -9.569 0.596 1.00 0.00 C ATOM 1217 CG GLN A 79 -43.322 -8.117 0.521 1.00 0.00 C ATOM 1218 CD GLN A 79 -42.448 -7.247 1.428 1.00 0.00 C ATOM 1219 OE1 GLN A 79 -41.774 -7.750 2.306 1.00 0.00 O ATOM 1220 NE2 GLN A 79 -42.431 -5.954 1.252 1.00 0.00 N ATOM 0 H GLN A 79 -45.246 -9.821 1.198 1.00 0.00 H new ATOM 0 HA GLN A 79 -43.827 -10.093 -1.246 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -42.822 -9.902 1.634 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -41.828 -9.649 0.212 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -43.269 -7.758 -0.507 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -44.365 -8.049 0.829 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -42.996 -5.532 0.515 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -41.852 -5.365 1.851 1.00 0.00 H new ATOM 1229 N GLN A 80 -43.528 -12.617 0.845 1.00 0.00 N ATOM 1230 CA GLN A 80 -43.053 -14.027 0.913 1.00 0.00 C ATOM 1231 C GLN A 80 -43.689 -14.830 -0.222 1.00 0.00 C ATOM 1232 O GLN A 80 -43.036 -15.615 -0.880 1.00 0.00 O ATOM 1233 CB GLN A 80 -43.454 -14.639 2.257 1.00 0.00 C ATOM 1234 CG GLN A 80 -42.917 -16.069 2.345 1.00 0.00 C ATOM 1235 CD GLN A 80 -41.389 -16.036 2.401 1.00 0.00 C ATOM 1236 OE1 GLN A 80 -40.809 -15.146 2.992 1.00 0.00 O ATOM 1237 NE2 GLN A 80 -40.706 -16.975 1.805 1.00 0.00 N ATOM 0 H GLN A 80 -44.047 -12.293 1.661 1.00 0.00 H new ATOM 0 HA GLN A 80 -41.968 -14.050 0.815 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -43.057 -14.039 3.075 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -44.539 -14.639 2.360 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -43.314 -16.564 3.231 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -43.248 -16.647 1.482 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -41.192 -17.722 1.309 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -39.687 -16.962 1.835 1.00 0.00 H new ATOM 1246 N ILE A 81 -44.956 -14.637 -0.459 1.00 0.00 N ATOM 1247 CA ILE A 81 -45.628 -15.387 -1.555 1.00 0.00 C ATOM 1248 C ILE A 81 -44.855 -15.176 -2.858 1.00 0.00 C ATOM 1249 O ILE A 81 -44.425 -16.117 -3.495 1.00 0.00 O ATOM 1250 CB ILE A 81 -47.061 -14.878 -1.722 1.00 0.00 C ATOM 1251 CG1 ILE A 81 -47.840 -15.108 -0.425 1.00 0.00 C ATOM 1252 CG2 ILE A 81 -47.739 -15.635 -2.864 1.00 0.00 C ATOM 1253 CD1 ILE A 81 -49.318 -14.777 -0.650 1.00 0.00 C ATOM 0 H ILE A 81 -45.554 -13.993 0.058 1.00 0.00 H new ATOM 0 HA ILE A 81 -45.650 -16.449 -1.310 1.00 0.00 H new ATOM 0 HB ILE A 81 -47.044 -13.812 -1.950 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -47.733 -16.144 -0.103 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -47.434 -14.484 0.371 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -48.760 -15.274 -2.984 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -47.185 -15.472 -3.788 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -47.756 -16.700 -2.635 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -49.872 -14.941 0.274 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -49.415 -13.734 -0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -49.720 -15.420 -1.433 1.00 0.00 H new ATOM 1265 N MET A 82 -44.670 -13.946 -3.257 1.00 0.00 N ATOM 1266 CA MET A 82 -43.922 -13.674 -4.516 1.00 0.00 C ATOM 1267 C MET A 82 -42.603 -14.446 -4.501 1.00 0.00 C ATOM 1268 O MET A 82 -42.265 -15.138 -5.441 1.00 0.00 O ATOM 1269 CB MET A 82 -43.631 -12.176 -4.622 1.00 0.00 C ATOM 1270 CG MET A 82 -44.951 -11.404 -4.687 1.00 0.00 C ATOM 1271 SD MET A 82 -44.607 -9.636 -4.866 1.00 0.00 S ATOM 1272 CE MET A 82 -44.117 -9.677 -6.607 1.00 0.00 C ATOM 0 H MET A 82 -45.005 -13.118 -2.764 1.00 0.00 H new ATOM 0 HA MET A 82 -44.521 -13.991 -5.370 1.00 0.00 H new ATOM 0 HB2 MET A 82 -43.046 -11.846 -3.763 1.00 0.00 H new ATOM 0 HB3 MET A 82 -43.034 -11.972 -5.511 1.00 0.00 H new ATOM 0 HG2 MET A 82 -45.550 -11.756 -5.527 1.00 0.00 H new ATOM 0 HG3 MET A 82 -45.534 -11.582 -3.783 1.00 0.00 H new ATOM 0 HE1 MET A 82 -43.033 -9.597 -6.682 1.00 0.00 H new ATOM 0 HE2 MET A 82 -44.443 -10.616 -7.055 1.00 0.00 H new ATOM 0 HE3 MET A 82 -44.580 -8.843 -7.135 1.00 0.00 H new ATOM 1282 N GLU A 83 -41.858 -14.335 -3.439 1.00 0.00 N ATOM 1283 CA GLU A 83 -40.561 -15.064 -3.360 1.00 0.00 C ATOM 1284 C GLU A 83 -40.834 -16.565 -3.256 1.00 0.00 C ATOM 1285 O GLU A 83 -39.938 -17.378 -3.370 1.00 0.00 O ATOM 1286 CB GLU A 83 -39.787 -14.597 -2.127 1.00 0.00 C ATOM 1287 CG GLU A 83 -39.420 -13.119 -2.283 1.00 0.00 C ATOM 1288 CD GLU A 83 -38.590 -12.671 -1.080 1.00 0.00 C ATOM 1289 OE1 GLU A 83 -38.453 -13.453 -0.154 1.00 0.00 O ATOM 1290 OE2 GLU A 83 -38.106 -11.550 -1.102 1.00 0.00 O ATOM 0 H GLU A 83 -42.090 -13.771 -2.621 1.00 0.00 H new ATOM 0 HA GLU A 83 -39.971 -14.861 -4.253 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -40.390 -14.740 -1.230 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -38.884 -15.195 -2.003 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -38.856 -12.968 -3.204 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -40.324 -12.515 -2.360 1.00 0.00 H new ATOM 1297 N ASN A 84 -42.066 -16.937 -3.041 1.00 0.00 N ATOM 1298 CA ASN A 84 -42.399 -18.384 -2.934 1.00 0.00 C ATOM 1299 C ASN A 84 -42.658 -18.948 -4.331 1.00 0.00 C ATOM 1300 O ASN A 84 -42.546 -20.135 -4.562 1.00 0.00 O ATOM 1301 CB ASN A 84 -43.651 -18.555 -2.073 1.00 0.00 C ATOM 1302 CG ASN A 84 -43.974 -20.045 -1.935 1.00 0.00 C ATOM 1303 OD1 ASN A 84 -44.755 -20.581 -2.696 1.00 0.00 O ATOM 1304 ND2 ASN A 84 -43.402 -20.739 -0.990 1.00 0.00 N ATOM 0 H ASN A 84 -42.856 -16.301 -2.935 1.00 0.00 H new ATOM 0 HA ASN A 84 -41.568 -18.918 -2.474 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -43.492 -18.113 -1.089 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -44.492 -18.030 -2.526 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -43.610 -21.732 -0.890 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -42.746 -20.288 -0.352 1.00 0.00 H new ATOM 1311 N GLN A 85 -43.004 -18.105 -5.266 1.00 0.00 N ATOM 1312 CA GLN A 85 -43.271 -18.598 -6.647 1.00 0.00 C ATOM 1313 C GLN A 85 -43.220 -17.426 -7.632 1.00 0.00 C ATOM 1314 O GLN A 85 -44.031 -17.325 -8.531 1.00 0.00 O ATOM 1315 CB GLN A 85 -44.655 -19.246 -6.698 1.00 0.00 C ATOM 1316 CG GLN A 85 -44.594 -20.626 -6.042 1.00 0.00 C ATOM 1317 CD GLN A 85 -45.832 -21.434 -6.438 1.00 0.00 C ATOM 1318 OE1 GLN A 85 -45.860 -22.050 -7.485 1.00 0.00 O ATOM 1319 NE2 GLN A 85 -46.864 -21.455 -5.640 1.00 0.00 N ATOM 0 H GLN A 85 -43.113 -17.099 -5.134 1.00 0.00 H new ATOM 0 HA GLN A 85 -42.514 -19.333 -6.920 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -45.382 -18.618 -6.183 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -44.988 -19.337 -7.732 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -43.690 -21.149 -6.354 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -44.545 -20.523 -4.958 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -46.840 -20.938 -4.761 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -47.695 -21.989 -5.895 1.00 0.00 H new ATOM 1328 N CYS A 86 -42.274 -16.541 -7.474 1.00 0.00 N ATOM 1329 CA CYS A 86 -42.178 -15.383 -8.410 1.00 0.00 C ATOM 1330 C CYS A 86 -41.376 -15.792 -9.645 1.00 0.00 C ATOM 1331 O CYS A 86 -41.272 -15.052 -10.603 1.00 0.00 O ATOM 1332 CB CYS A 86 -41.480 -14.210 -7.715 1.00 0.00 C ATOM 1333 SG CYS A 86 -39.977 -14.794 -6.892 1.00 0.00 S ATOM 0 H CYS A 86 -41.566 -16.568 -6.741 1.00 0.00 H new ATOM 0 HA CYS A 86 -43.181 -15.079 -8.709 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -41.231 -13.439 -8.444 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -42.151 -13.755 -6.987 1.00 0.00 H new ATOM 0 HG CYS A 86 -39.388 -13.795 -6.305 1.00 0.00 H new ATOM 1338 N ASP A 87 -40.809 -16.968 -9.635 1.00 0.00 N ATOM 1339 CA ASP A 87 -40.018 -17.421 -10.813 1.00 0.00 C ATOM 1340 C ASP A 87 -40.848 -17.221 -12.083 1.00 0.00 C ATOM 1341 O ASP A 87 -40.321 -17.128 -13.173 1.00 0.00 O ATOM 1342 CB ASP A 87 -39.670 -18.903 -10.657 1.00 0.00 C ATOM 1343 CG ASP A 87 -38.695 -19.078 -9.492 1.00 0.00 C ATOM 1344 OD1 ASP A 87 -38.161 -18.080 -9.036 1.00 0.00 O ATOM 1345 OD2 ASP A 87 -38.498 -20.208 -9.074 1.00 0.00 O ATOM 0 H ASP A 87 -40.860 -17.633 -8.863 1.00 0.00 H new ATOM 0 HA ASP A 87 -39.098 -16.841 -10.881 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -40.575 -19.483 -10.478 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -39.225 -19.282 -11.577 1.00 0.00 H new ATOM 1350 N ARG A 88 -42.145 -17.152 -11.947 1.00 0.00 N ATOM 1351 CA ARG A 88 -43.011 -16.955 -13.142 1.00 0.00 C ATOM 1352 C ARG A 88 -42.930 -15.496 -13.595 1.00 0.00 C ATOM 1353 O ARG A 88 -43.200 -15.173 -14.734 1.00 0.00 O ATOM 1354 CB ARG A 88 -44.459 -17.297 -12.784 1.00 0.00 C ATOM 1355 CG ARG A 88 -44.616 -18.815 -12.679 1.00 0.00 C ATOM 1356 CD ARG A 88 -46.098 -19.165 -12.532 1.00 0.00 C ATOM 1357 NE ARG A 88 -46.231 -20.560 -12.026 1.00 0.00 N ATOM 1358 CZ ARG A 88 -47.260 -20.893 -11.294 1.00 0.00 C ATOM 1359 NH1 ARG A 88 -48.333 -21.377 -11.859 1.00 0.00 N ATOM 1360 NH2 ARG A 88 -47.216 -20.744 -9.999 1.00 0.00 N ATOM 0 H ARG A 88 -42.641 -17.224 -11.059 1.00 0.00 H new ATOM 0 HA ARG A 88 -42.672 -17.606 -13.948 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -44.732 -16.827 -11.839 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -45.135 -16.903 -13.543 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -44.204 -19.296 -13.566 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -44.056 -19.191 -11.823 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -46.580 -18.470 -11.845 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -46.603 -19.066 -13.493 1.00 0.00 H new ATOM 0 HE ARG A 88 -45.519 -21.255 -12.251 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -48.367 -21.495 -12.872 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -49.137 -21.637 -11.288 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -46.377 -20.367 -9.557 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -48.020 -21.004 -9.428 1.00 0.00 H new ATOM 1374 N LEU A 89 -42.559 -14.611 -12.710 1.00 0.00 N ATOM 1375 CA LEU A 89 -42.462 -13.173 -13.090 1.00 0.00 C ATOM 1376 C LEU A 89 -41.372 -12.997 -14.148 1.00 0.00 C ATOM 1377 O LEU A 89 -41.280 -11.970 -14.792 1.00 0.00 O ATOM 1378 CB LEU A 89 -42.116 -12.336 -11.857 1.00 0.00 C ATOM 1379 CG LEU A 89 -43.182 -12.539 -10.778 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -43.135 -11.372 -9.789 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -44.567 -12.600 -11.427 1.00 0.00 C ATOM 0 H LEU A 89 -42.319 -14.821 -11.741 1.00 0.00 H new ATOM 0 HA LEU A 89 -43.419 -12.842 -13.494 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -41.137 -12.624 -11.473 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -42.055 -11.282 -12.127 1.00 0.00 H new ATOM 0 HG LEU A 89 -42.988 -13.473 -10.251 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -43.894 -11.516 -9.020 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -42.150 -11.329 -9.323 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -43.327 -10.439 -10.318 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -45.324 -12.745 -10.656 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -44.762 -11.668 -11.957 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -44.603 -13.431 -12.131 1.00 0.00 H new ATOM 1393 N GLN A 90 -40.546 -13.989 -14.334 1.00 0.00 N ATOM 1394 CA GLN A 90 -39.463 -13.876 -15.351 1.00 0.00 C ATOM 1395 C GLN A 90 -40.028 -13.226 -16.615 1.00 0.00 C ATOM 1396 O GLN A 90 -39.333 -12.536 -17.335 1.00 0.00 O ATOM 1397 CB GLN A 90 -38.929 -15.270 -15.686 1.00 0.00 C ATOM 1398 CG GLN A 90 -37.689 -15.141 -16.572 1.00 0.00 C ATOM 1399 CD GLN A 90 -37.092 -16.529 -16.818 1.00 0.00 C ATOM 1400 OE1 GLN A 90 -37.498 -17.495 -16.204 1.00 0.00 O ATOM 1401 NE2 GLN A 90 -36.137 -16.669 -17.696 1.00 0.00 N ATOM 0 H GLN A 90 -40.574 -14.873 -13.826 1.00 0.00 H new ATOM 0 HA GLN A 90 -38.651 -13.265 -14.957 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -38.680 -15.806 -14.770 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -39.696 -15.852 -16.198 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -37.954 -14.674 -17.521 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -36.952 -14.496 -16.093 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -35.796 -15.858 -18.212 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -35.732 -17.589 -17.866 1.00 0.00 H new ATOM 1410 N ASP A 91 -41.286 -13.438 -16.888 1.00 0.00 N ATOM 1411 CA ASP A 91 -41.899 -12.829 -18.101 1.00 0.00 C ATOM 1412 C ASP A 91 -42.204 -11.355 -17.826 1.00 0.00 C ATOM 1413 O ASP A 91 -42.847 -11.016 -16.852 1.00 0.00 O ATOM 1414 CB ASP A 91 -43.198 -13.565 -18.441 1.00 0.00 C ATOM 1415 CG ASP A 91 -43.473 -13.448 -19.941 1.00 0.00 C ATOM 1416 OD1 ASP A 91 -42.542 -13.625 -20.710 1.00 0.00 O ATOM 1417 OD2 ASP A 91 -44.611 -13.185 -20.295 1.00 0.00 O ATOM 0 H ASP A 91 -41.916 -14.007 -16.323 1.00 0.00 H new ATOM 0 HA ASP A 91 -41.208 -12.909 -18.940 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -43.119 -14.614 -18.156 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -44.027 -13.142 -17.874 1.00 0.00 H new ATOM 1422 N ARG A 92 -41.742 -10.475 -18.671 1.00 0.00 N ATOM 1423 CA ARG A 92 -42.001 -9.024 -18.453 1.00 0.00 C ATOM 1424 C ARG A 92 -43.494 -8.737 -18.625 1.00 0.00 C ATOM 1425 O ARG A 92 -43.960 -7.646 -18.359 1.00 0.00 O ATOM 1426 CB ARG A 92 -41.207 -8.205 -19.471 1.00 0.00 C ATOM 1427 CG ARG A 92 -39.710 -8.388 -19.219 1.00 0.00 C ATOM 1428 CD ARG A 92 -38.923 -7.437 -20.121 1.00 0.00 C ATOM 1429 NE ARG A 92 -39.296 -6.030 -19.801 1.00 0.00 N ATOM 1430 CZ ARG A 92 -38.382 -5.189 -19.400 1.00 0.00 C ATOM 1431 NH1 ARG A 92 -37.618 -5.490 -18.385 1.00 0.00 N ATOM 1432 NH2 ARG A 92 -38.234 -4.046 -20.012 1.00 0.00 N ATOM 0 H ARG A 92 -41.196 -10.698 -19.503 1.00 0.00 H new ATOM 0 HA ARG A 92 -41.693 -8.751 -17.444 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -41.457 -8.522 -20.483 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -41.473 -7.151 -19.392 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -39.479 -8.189 -18.173 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -39.420 -9.420 -19.419 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -37.853 -7.583 -19.976 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -39.135 -7.652 -21.168 1.00 0.00 H new ATOM 0 HE ARG A 92 -40.265 -5.725 -19.895 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -37.735 -6.382 -17.905 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -36.904 -4.833 -18.072 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -38.833 -3.810 -20.803 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -37.520 -3.389 -19.699 1.00 0.00 H new ATOM 1446 N GLN A 93 -44.250 -9.704 -19.069 1.00 0.00 N ATOM 1447 CA GLN A 93 -45.710 -9.478 -19.257 1.00 0.00 C ATOM 1448 C GLN A 93 -46.455 -9.843 -17.971 1.00 0.00 C ATOM 1449 O GLN A 93 -47.340 -9.134 -17.535 1.00 0.00 O ATOM 1450 CB GLN A 93 -46.216 -10.349 -20.408 1.00 0.00 C ATOM 1451 CG GLN A 93 -45.548 -9.904 -21.713 1.00 0.00 C ATOM 1452 CD GLN A 93 -46.246 -10.573 -22.899 1.00 0.00 C ATOM 1453 OE1 GLN A 93 -47.390 -10.283 -23.187 1.00 0.00 O ATOM 1454 NE2 GLN A 93 -45.601 -11.462 -23.602 1.00 0.00 N ATOM 0 H GLN A 93 -43.920 -10.639 -19.309 1.00 0.00 H new ATOM 0 HA GLN A 93 -45.888 -8.428 -19.491 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -45.992 -11.397 -20.211 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -47.299 -10.265 -20.494 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -45.602 -8.820 -21.810 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -44.491 -10.171 -21.702 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -44.640 -11.705 -23.360 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -46.057 -11.914 -24.394 1.00 0.00 H new ATOM 1463 N MET A 94 -46.105 -10.942 -17.359 1.00 0.00 N ATOM 1464 CA MET A 94 -46.797 -11.347 -16.102 1.00 0.00 C ATOM 1465 C MET A 94 -46.329 -10.452 -14.951 1.00 0.00 C ATOM 1466 O MET A 94 -47.124 -9.914 -14.207 1.00 0.00 O ATOM 1467 CB MET A 94 -46.457 -12.805 -15.782 1.00 0.00 C ATOM 1468 CG MET A 94 -47.417 -13.330 -14.713 1.00 0.00 C ATOM 1469 SD MET A 94 -46.583 -14.597 -13.724 1.00 0.00 S ATOM 1470 CE MET A 94 -46.966 -13.902 -12.097 1.00 0.00 C ATOM 0 H MET A 94 -45.371 -11.576 -17.675 1.00 0.00 H new ATOM 0 HA MET A 94 -47.874 -11.242 -16.230 1.00 0.00 H new ATOM 0 HB2 MET A 94 -46.532 -13.413 -16.683 1.00 0.00 H new ATOM 0 HB3 MET A 94 -45.428 -12.881 -15.431 1.00 0.00 H new ATOM 0 HG2 MET A 94 -47.748 -12.512 -14.072 1.00 0.00 H new ATOM 0 HG3 MET A 94 -48.308 -13.747 -15.182 1.00 0.00 H new ATOM 0 HE1 MET A 94 -46.295 -14.329 -11.352 1.00 0.00 H new ATOM 0 HE2 MET A 94 -46.837 -12.820 -12.124 1.00 0.00 H new ATOM 0 HE3 MET A 94 -47.997 -14.138 -11.834 1.00 0.00 H new ATOM 1480 N VAL A 95 -45.042 -10.291 -14.799 1.00 0.00 N ATOM 1481 CA VAL A 95 -44.522 -9.434 -13.697 1.00 0.00 C ATOM 1482 C VAL A 95 -45.350 -8.150 -13.611 1.00 0.00 C ATOM 1483 O VAL A 95 -45.662 -7.671 -12.539 1.00 0.00 O ATOM 1484 CB VAL A 95 -43.060 -9.078 -13.976 1.00 0.00 C ATOM 1485 CG1 VAL A 95 -42.967 -8.316 -15.300 1.00 0.00 C ATOM 1486 CG2 VAL A 95 -42.521 -8.202 -12.843 1.00 0.00 C ATOM 0 H VAL A 95 -44.329 -10.716 -15.391 1.00 0.00 H new ATOM 0 HA VAL A 95 -44.593 -9.975 -12.753 1.00 0.00 H new ATOM 0 HB VAL A 95 -42.469 -9.991 -14.039 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -41.926 -8.061 -15.501 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -43.350 -8.941 -16.107 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -43.558 -7.403 -15.236 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -41.480 -7.949 -13.043 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -43.111 -7.288 -12.778 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -42.588 -8.745 -11.900 1.00 0.00 H new ATOM 1496 N GLN A 96 -45.707 -7.592 -14.732 1.00 0.00 N ATOM 1497 CA GLN A 96 -46.513 -6.339 -14.718 1.00 0.00 C ATOM 1498 C GLN A 96 -47.939 -6.652 -14.266 1.00 0.00 C ATOM 1499 O GLN A 96 -48.433 -6.101 -13.303 1.00 0.00 O ATOM 1500 CB GLN A 96 -46.543 -5.736 -16.125 1.00 0.00 C ATOM 1501 CG GLN A 96 -45.143 -5.243 -16.497 1.00 0.00 C ATOM 1502 CD GLN A 96 -45.210 -4.456 -17.807 1.00 0.00 C ATOM 1503 OE1 GLN A 96 -45.616 -3.311 -17.821 1.00 0.00 O ATOM 1504 NE2 GLN A 96 -44.825 -5.025 -18.916 1.00 0.00 N ATOM 0 H GLN A 96 -45.476 -7.949 -15.659 1.00 0.00 H new ATOM 0 HA GLN A 96 -46.063 -5.626 -14.027 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -46.881 -6.481 -16.845 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -47.253 -4.910 -16.164 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -44.745 -4.613 -15.702 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -44.464 -6.089 -16.603 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -44.484 -5.986 -18.904 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -44.865 -4.509 -19.795 1.00 0.00 H new ATOM 1513 N GLN A 97 -48.603 -7.534 -14.957 1.00 0.00 N ATOM 1514 CA GLN A 97 -49.998 -7.888 -14.573 1.00 0.00 C ATOM 1515 C GLN A 97 -50.018 -8.388 -13.126 1.00 0.00 C ATOM 1516 O GLN A 97 -50.896 -8.056 -12.355 1.00 0.00 O ATOM 1517 CB GLN A 97 -50.519 -8.988 -15.500 1.00 0.00 C ATOM 1518 CG GLN A 97 -50.517 -8.481 -16.944 1.00 0.00 C ATOM 1519 CD GLN A 97 -50.908 -9.622 -17.886 1.00 0.00 C ATOM 1520 OE1 GLN A 97 -50.990 -10.762 -17.476 1.00 0.00 O ATOM 1521 NE2 GLN A 97 -51.154 -9.361 -19.141 1.00 0.00 N ATOM 0 H GLN A 97 -48.240 -8.027 -15.773 1.00 0.00 H new ATOM 0 HA GLN A 97 -50.634 -7.007 -14.662 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -49.894 -9.877 -15.414 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -51.528 -9.278 -15.207 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -51.216 -7.652 -17.050 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -49.529 -8.101 -17.206 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -51.085 -8.403 -19.486 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -51.415 -10.115 -19.777 1.00 0.00 H new ATOM 1530 N PHE A 98 -49.055 -9.185 -12.754 1.00 0.00 N ATOM 1531 CA PHE A 98 -49.022 -9.704 -11.357 1.00 0.00 C ATOM 1532 C PHE A 98 -48.931 -8.527 -10.387 1.00 0.00 C ATOM 1533 O PHE A 98 -49.525 -8.536 -9.327 1.00 0.00 O ATOM 1534 CB PHE A 98 -47.815 -10.623 -11.163 1.00 0.00 C ATOM 1535 CG PHE A 98 -47.882 -11.256 -9.791 1.00 0.00 C ATOM 1536 CD1 PHE A 98 -49.127 -11.546 -9.216 1.00 0.00 C ATOM 1537 CD2 PHE A 98 -46.703 -11.552 -9.093 1.00 0.00 C ATOM 1538 CE1 PHE A 98 -49.192 -12.130 -7.946 1.00 0.00 C ATOM 1539 CE2 PHE A 98 -46.771 -12.137 -7.822 1.00 0.00 C ATOM 1540 CZ PHE A 98 -48.016 -12.425 -7.249 1.00 0.00 C ATOM 0 H PHE A 98 -48.292 -9.499 -13.354 1.00 0.00 H new ATOM 0 HA PHE A 98 -49.931 -10.273 -11.164 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -47.805 -11.395 -11.932 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -46.891 -10.055 -11.269 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -50.036 -11.319 -9.753 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -45.743 -11.329 -9.535 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -50.152 -12.353 -7.504 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -45.863 -12.366 -7.284 1.00 0.00 H new ATOM 0 HZ PHE A 98 -48.068 -12.875 -6.269 1.00 0.00 H new ATOM 1550 N LYS A 99 -48.201 -7.508 -10.746 1.00 0.00 N ATOM 1551 CA LYS A 99 -48.085 -6.327 -9.846 1.00 0.00 C ATOM 1552 C LYS A 99 -49.460 -5.678 -9.699 1.00 0.00 C ATOM 1553 O LYS A 99 -49.875 -5.309 -8.617 1.00 0.00 O ATOM 1554 CB LYS A 99 -47.102 -5.320 -10.447 1.00 0.00 C ATOM 1555 CG LYS A 99 -45.671 -5.729 -10.094 1.00 0.00 C ATOM 1556 CD LYS A 99 -44.692 -4.692 -10.648 1.00 0.00 C ATOM 1557 CE LYS A 99 -43.282 -5.284 -10.670 1.00 0.00 C ATOM 1558 NZ LYS A 99 -42.932 -5.787 -9.312 1.00 0.00 N ATOM 0 H LYS A 99 -47.681 -7.442 -11.621 1.00 0.00 H new ATOM 0 HA LYS A 99 -47.721 -6.642 -8.868 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -47.223 -5.279 -11.529 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -47.310 -4.320 -10.065 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -45.560 -5.808 -9.012 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -45.450 -6.712 -10.509 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -44.990 -4.396 -11.654 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -44.711 -3.793 -10.032 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -43.229 -6.096 -11.395 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -42.563 -4.527 -10.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -41.901 -5.904 -9.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -43.254 -5.105 -8.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -43.397 -6.703 -9.151 1.00 0.00 H new ATOM 1572 N ARG A 100 -50.173 -5.546 -10.782 1.00 0.00 N ATOM 1573 CA ARG A 100 -51.527 -4.931 -10.713 1.00 0.00 C ATOM 1574 C ARG A 100 -52.416 -5.780 -9.805 1.00 0.00 C ATOM 1575 O ARG A 100 -53.009 -5.289 -8.865 1.00 0.00 O ATOM 1576 CB ARG A 100 -52.137 -4.877 -12.115 1.00 0.00 C ATOM 1577 CG ARG A 100 -51.218 -4.078 -13.042 1.00 0.00 C ATOM 1578 CD ARG A 100 -51.812 -4.059 -14.453 1.00 0.00 C ATOM 1579 NE ARG A 100 -53.013 -3.178 -14.473 1.00 0.00 N ATOM 1580 CZ ARG A 100 -54.172 -3.643 -14.092 1.00 0.00 C ATOM 1581 NH1 ARG A 100 -54.754 -3.156 -13.031 1.00 0.00 N ATOM 1582 NH2 ARG A 100 -54.747 -4.597 -14.772 1.00 0.00 N ATOM 0 H ARG A 100 -49.876 -5.838 -11.713 1.00 0.00 H new ATOM 0 HA ARG A 100 -51.450 -3.920 -10.314 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -52.273 -5.887 -12.503 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -53.123 -4.414 -12.076 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -51.104 -3.060 -12.670 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -50.224 -4.524 -13.060 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -51.071 -3.698 -15.166 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -52.084 -5.069 -14.759 1.00 0.00 H new ATOM 0 HE ARG A 100 -52.930 -2.210 -14.785 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -54.304 -2.412 -12.499 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -55.659 -3.520 -12.734 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -54.291 -4.979 -15.601 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -55.652 -4.961 -14.475 1.00 0.00 H new ATOM 1596 N GLU A 101 -52.513 -7.054 -10.075 1.00 0.00 N ATOM 1597 CA GLU A 101 -53.361 -7.931 -9.221 1.00 0.00 C ATOM 1598 C GLU A 101 -52.832 -7.893 -7.787 1.00 0.00 C ATOM 1599 O GLU A 101 -53.588 -7.867 -6.836 1.00 0.00 O ATOM 1600 CB GLU A 101 -53.310 -9.365 -9.748 1.00 0.00 C ATOM 1601 CG GLU A 101 -53.949 -9.421 -11.136 1.00 0.00 C ATOM 1602 CD GLU A 101 -55.398 -8.936 -11.050 1.00 0.00 C ATOM 1603 OE1 GLU A 101 -55.938 -8.941 -9.956 1.00 0.00 O ATOM 1604 OE2 GLU A 101 -55.942 -8.570 -12.078 1.00 0.00 O ATOM 0 H GLU A 101 -52.042 -7.524 -10.849 1.00 0.00 H new ATOM 0 HA GLU A 101 -54.392 -7.579 -9.242 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -52.277 -9.709 -9.797 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -53.836 -10.033 -9.066 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -53.387 -8.799 -11.832 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -53.918 -10.440 -11.522 1.00 0.00 H new ATOM 1611 N LEU A 102 -51.537 -7.883 -7.624 1.00 0.00 N ATOM 1612 CA LEU A 102 -50.963 -7.839 -6.251 1.00 0.00 C ATOM 1613 C LEU A 102 -51.414 -6.552 -5.563 1.00 0.00 C ATOM 1614 O LEU A 102 -51.444 -6.462 -4.351 1.00 0.00 O ATOM 1615 CB LEU A 102 -49.434 -7.873 -6.330 1.00 0.00 C ATOM 1616 CG LEU A 102 -48.902 -9.044 -5.501 1.00 0.00 C ATOM 1617 CD1 LEU A 102 -49.724 -10.301 -5.800 1.00 0.00 C ATOM 1618 CD2 LEU A 102 -47.436 -9.297 -5.859 1.00 0.00 C ATOM 0 H LEU A 102 -50.854 -7.903 -8.381 1.00 0.00 H new ATOM 0 HA LEU A 102 -51.309 -8.701 -5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -49.116 -7.975 -7.368 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -49.020 -6.935 -5.960 1.00 0.00 H new ATOM 0 HG LEU A 102 -48.982 -8.803 -4.441 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -49.343 -11.134 -5.209 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -50.768 -10.122 -5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -49.646 -10.543 -6.860 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -47.056 -10.131 -5.269 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -47.357 -9.537 -6.919 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -46.850 -8.404 -5.644 1.00 0.00 H new ATOM 1630 N MET A 103 -51.777 -5.559 -6.327 1.00 0.00 N ATOM 1631 CA MET A 103 -52.242 -4.284 -5.714 1.00 0.00 C ATOM 1632 C MET A 103 -53.670 -4.474 -5.205 1.00 0.00 C ATOM 1633 O MET A 103 -54.056 -3.936 -4.187 1.00 0.00 O ATOM 1634 CB MET A 103 -52.218 -3.170 -6.764 1.00 0.00 C ATOM 1635 CG MET A 103 -50.780 -2.694 -6.974 1.00 0.00 C ATOM 1636 SD MET A 103 -50.762 -1.340 -8.175 1.00 0.00 S ATOM 1637 CE MET A 103 -51.047 0.010 -7.003 1.00 0.00 C ATOM 0 H MET A 103 -51.772 -5.575 -7.347 1.00 0.00 H new ATOM 0 HA MET A 103 -51.586 -4.011 -4.888 1.00 0.00 H new ATOM 0 HB2 MET A 103 -52.632 -3.534 -7.704 1.00 0.00 H new ATOM 0 HB3 MET A 103 -52.844 -2.338 -6.441 1.00 0.00 H new ATOM 0 HG2 MET A 103 -50.354 -2.361 -6.028 1.00 0.00 H new ATOM 0 HG3 MET A 103 -50.161 -3.518 -7.329 1.00 0.00 H new ATOM 0 HE1 MET A 103 -51.073 0.958 -7.540 1.00 0.00 H new ATOM 0 HE2 MET A 103 -51.998 -0.145 -6.494 1.00 0.00 H new ATOM 0 HE3 MET A 103 -50.241 0.031 -6.269 1.00 0.00 H new ATOM 1647 N SER A 104 -54.456 -5.245 -5.908 1.00 0.00 N ATOM 1648 CA SER A 104 -55.860 -5.482 -5.469 1.00 0.00 C ATOM 1649 C SER A 104 -55.877 -6.558 -4.382 1.00 0.00 C ATOM 1650 O SER A 104 -56.736 -6.573 -3.524 1.00 0.00 O ATOM 1651 CB SER A 104 -56.696 -5.951 -6.663 1.00 0.00 C ATOM 1652 OG SER A 104 -56.698 -4.943 -7.665 1.00 0.00 O ATOM 0 H SER A 104 -54.185 -5.721 -6.768 1.00 0.00 H new ATOM 0 HA SER A 104 -56.279 -4.557 -5.073 1.00 0.00 H new ATOM 0 HB2 SER A 104 -56.287 -6.878 -7.065 1.00 0.00 H new ATOM 0 HB3 SER A 104 -57.716 -6.164 -6.345 1.00 0.00 H new ATOM 0 HG SER A 104 -57.232 -5.243 -8.430 1.00 0.00 H new ATOM 1658 N LEU A 105 -54.936 -7.464 -4.414 1.00 0.00 N ATOM 1659 CA LEU A 105 -54.898 -8.541 -3.384 1.00 0.00 C ATOM 1660 C LEU A 105 -55.203 -7.948 -2.007 1.00 0.00 C ATOM 1661 O LEU A 105 -56.054 -8.435 -1.290 1.00 0.00 O ATOM 1662 CB LEU A 105 -53.509 -9.183 -3.360 1.00 0.00 C ATOM 1663 CG LEU A 105 -53.600 -10.644 -3.808 1.00 0.00 C ATOM 1664 CD1 LEU A 105 -54.780 -11.331 -3.113 1.00 0.00 C ATOM 1665 CD2 LEU A 105 -53.798 -10.702 -5.322 1.00 0.00 C ATOM 0 H LEU A 105 -54.192 -7.504 -5.110 1.00 0.00 H new ATOM 0 HA LEU A 105 -55.645 -9.296 -3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -52.834 -8.634 -4.017 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -53.091 -9.128 -2.355 1.00 0.00 H new ATOM 0 HG LEU A 105 -52.677 -11.158 -3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -54.838 -12.370 -3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -54.637 -11.295 -2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -55.705 -10.817 -3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -53.863 -11.742 -5.641 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -54.718 -10.183 -5.589 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -52.954 -10.222 -5.818 1.00 0.00 H new ATOM 1677 N PRO A 106 -54.494 -6.870 -1.630 1.00 0.00 N ATOM 1678 CA PRO A 106 -54.697 -6.211 -0.335 1.00 0.00 C ATOM 1679 C PRO A 106 -56.074 -5.552 -0.262 1.00 0.00 C ATOM 1680 O PRO A 106 -56.480 -5.040 0.763 1.00 0.00 O ATOM 1681 CB PRO A 106 -53.591 -5.156 -0.291 1.00 0.00 C ATOM 1682 CG PRO A 106 -53.274 -4.892 -1.722 1.00 0.00 C ATOM 1683 CD PRO A 106 -53.449 -6.206 -2.430 1.00 0.00 C ATOM 0 HA PRO A 106 -54.656 -6.908 0.502 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -53.925 -4.251 0.216 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -52.717 -5.519 0.249 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -53.938 -4.133 -2.136 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -52.256 -4.520 -1.835 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -53.758 -6.069 -3.466 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -52.524 -6.783 -2.447 1.00 0.00 H new ATOM 1691 N GLN A 107 -56.799 -5.574 -1.346 1.00 0.00 N ATOM 1692 CA GLN A 107 -58.155 -4.967 -1.352 1.00 0.00 C ATOM 1693 C GLN A 107 -59.193 -6.069 -1.144 1.00 0.00 C ATOM 1694 O GLN A 107 -60.092 -5.946 -0.337 1.00 0.00 O ATOM 1695 CB GLN A 107 -58.404 -4.279 -2.696 1.00 0.00 C ATOM 1696 CG GLN A 107 -57.478 -3.068 -2.829 1.00 0.00 C ATOM 1697 CD GLN A 107 -57.734 -2.377 -4.170 1.00 0.00 C ATOM 1698 OE1 GLN A 107 -58.322 -2.955 -5.062 1.00 0.00 O ATOM 1699 NE2 GLN A 107 -57.314 -1.155 -4.351 1.00 0.00 N ATOM 0 H GLN A 107 -56.507 -5.989 -2.231 1.00 0.00 H new ATOM 0 HA GLN A 107 -58.232 -4.230 -0.552 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -58.225 -4.978 -3.513 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -59.445 -3.964 -2.768 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -57.653 -2.371 -2.009 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -56.437 -3.384 -2.763 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -56.820 -0.669 -3.602 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -57.479 -0.685 -5.241 1.00 0.00 H new ATOM 1708 N GLN A 108 -59.074 -7.148 -1.868 1.00 0.00 N ATOM 1709 CA GLN A 108 -60.053 -8.260 -1.711 1.00 0.00 C ATOM 1710 C GLN A 108 -60.067 -8.719 -0.253 1.00 0.00 C ATOM 1711 O GLN A 108 -61.090 -9.100 0.279 1.00 0.00 O ATOM 1712 CB GLN A 108 -59.647 -9.428 -2.611 1.00 0.00 C ATOM 1713 CG GLN A 108 -59.744 -9.000 -4.077 1.00 0.00 C ATOM 1714 CD GLN A 108 -59.256 -10.139 -4.974 1.00 0.00 C ATOM 1715 OE1 GLN A 108 -58.653 -11.082 -4.503 1.00 0.00 O ATOM 1716 NE2 GLN A 108 -59.492 -10.090 -6.257 1.00 0.00 N ATOM 0 H GLN A 108 -58.342 -7.307 -2.560 1.00 0.00 H new ATOM 0 HA GLN A 108 -61.047 -7.914 -1.994 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -58.629 -9.743 -2.380 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -60.295 -10.285 -2.428 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -60.774 -8.744 -4.325 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -59.143 -8.106 -4.247 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -59.999 -9.298 -6.652 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -59.170 -10.844 -6.864 1.00 0.00 H new ATOM 1725 N CYS A 109 -58.936 -8.684 0.395 1.00 0.00 N ATOM 1726 CA CYS A 109 -58.880 -9.116 1.820 1.00 0.00 C ATOM 1727 C CYS A 109 -58.837 -7.883 2.724 1.00 0.00 C ATOM 1728 O CYS A 109 -58.942 -7.982 3.931 1.00 0.00 O ATOM 1729 CB CYS A 109 -57.622 -9.957 2.047 1.00 0.00 C ATOM 1730 SG CYS A 109 -57.703 -11.451 1.030 1.00 0.00 S ATOM 0 H CYS A 109 -58.048 -8.375 -0.000 1.00 0.00 H new ATOM 0 HA CYS A 109 -59.763 -9.710 2.056 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -56.734 -9.378 1.792 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -57.536 -10.225 3.100 1.00 0.00 H new ATOM 1735 N ASN A 110 -58.683 -6.720 2.151 1.00 0.00 N ATOM 1736 CA ASN A 110 -58.632 -5.482 2.979 1.00 0.00 C ATOM 1737 C ASN A 110 -57.443 -5.559 3.937 1.00 0.00 C ATOM 1738 O ASN A 110 -57.544 -5.210 5.097 1.00 0.00 O ATOM 1739 CB ASN A 110 -59.927 -5.353 3.784 1.00 0.00 C ATOM 1740 CG ASN A 110 -61.119 -5.276 2.827 1.00 0.00 C ATOM 1741 OD1 ASN A 110 -60.965 -4.932 1.671 1.00 0.00 O ATOM 1742 ND2 ASN A 110 -62.310 -5.583 3.262 1.00 0.00 N ATOM 0 H ASN A 110 -58.590 -6.574 1.146 1.00 0.00 H new ATOM 0 HA ASN A 110 -58.520 -4.614 2.329 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -60.039 -6.207 4.452 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -59.891 -4.461 4.409 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -63.111 -5.534 2.632 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -62.440 -5.872 4.232 1.00 0.00 H new