USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 515 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 80 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 60 CYS SG : rot 106:sc= 1.07 USER MOD Set 2.2: A 68 CYS SG : rot 115:sc=-0.00482 USER MOD Set 2.3: A 73 CYS SG : rot -110:sc= 0.383 USER MOD Set 2.4: A 77 HIS :FLIP no HD1:sc= -5.11! C(o=-4.9!,f=-3.7!) USER MOD Set 3.1: A 26 CYS SG : rot 134:sc= 0.0591 USER MOD Set 3.2: A 34 CYS SG : rot -153:sc= 1.12 USER MOD Set 3.3: A 41 CYS SG : rot 150:sc= -0.992 USER MOD Set 3.4: A 45 HIS :FLIP no HD1:sc= 0.321 F(o=-2.8,f=0.51) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN : amide:sc= -0.011 X(o=-0.011,f=-0.025) USER MOD Single : A 33 THR OG1 : rot 180:sc=-0.00589 USER MOD Single : A 35 SER OG : rot -53:sc= 0.738 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot -130:sc= -2.74! USER MOD Single : A 51 GLN : amide:sc= -5.85! C(o=-5.9!,f=-5.6!) USER MOD Single : A 54 ASN : amide:sc= -0.198 K(o=-0.2,f=-0.72) USER MOD Single : A 63 SER OG : rot 120:sc= -0.658 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0.456 K(o=0.46,f=-3.1!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 HIS :FLIP no HE2:sc= -10.6! C(o=-12!,f=-11!) USER MOD Single : A 84 THR OG1 : rot 69:sc= 0.221 USER MOD Single : A 85 GLN : amide:sc= -0.522 X(o=-0.52,f=-0.067) USER MOD ----------------------------------------------------------------- ATOM 192 N LEU A 21 -0.005 7.201 4.995 1.00 0.00 N ATOM 193 CA LEU A 21 0.083 5.815 4.548 1.00 0.00 C ATOM 194 C LEU A 21 -0.438 4.863 5.619 1.00 0.00 C ATOM 195 O LEU A 21 0.325 4.364 6.447 1.00 0.00 O ATOM 196 CB LEU A 21 1.530 5.463 4.197 1.00 0.00 C ATOM 197 CG LEU A 21 2.037 5.976 2.848 1.00 0.00 C ATOM 198 CD1 LEU A 21 3.542 5.783 2.736 1.00 0.00 C ATOM 199 CD2 LEU A 21 1.321 5.270 1.706 1.00 0.00 C ATOM 0 HA LEU A 21 -0.538 5.706 3.659 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.179 5.856 4.980 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.633 4.378 4.213 1.00 0.00 H new ATOM 0 HG LEU A 21 1.821 7.042 2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.885 6.153 1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.040 6.334 3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.780 4.723 2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.694 5.647 0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.505 4.198 1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.250 5.459 1.776 1.00 0.00 H new ATOM 211 N THR A 22 -1.744 4.613 5.597 1.00 0.00 N ATOM 212 CA THR A 22 -2.367 3.720 6.565 1.00 0.00 C ATOM 213 C THR A 22 -3.409 2.828 5.899 1.00 0.00 C ATOM 214 O THR A 22 -4.015 3.207 4.896 1.00 0.00 O ATOM 215 CB THR A 22 -3.036 4.508 7.707 1.00 0.00 C ATOM 216 OG1 THR A 22 -3.820 5.579 7.169 1.00 0.00 O ATOM 217 CG2 THR A 22 -1.993 5.067 8.663 1.00 0.00 C ATOM 0 H THR A 22 -2.390 5.017 4.919 1.00 0.00 H new ATOM 0 HA THR A 22 -1.573 3.099 6.979 1.00 0.00 H new ATOM 0 HB THR A 22 -3.683 3.826 8.259 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.243 6.074 7.901 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.490 5.619 9.461 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.417 4.247 9.093 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.324 5.735 8.121 1.00 0.00 H new ATOM 225 N LEU A 23 -3.614 1.643 6.463 1.00 0.00 N ATOM 226 CA LEU A 23 -4.585 0.697 5.924 1.00 0.00 C ATOM 227 C LEU A 23 -5.124 -0.215 7.022 1.00 0.00 C ATOM 228 O LEU A 23 -4.386 -0.630 7.914 1.00 0.00 O ATOM 229 CB LEU A 23 -3.948 -0.142 4.816 1.00 0.00 C ATOM 230 CG LEU A 23 -3.845 0.526 3.444 1.00 0.00 C ATOM 231 CD1 LEU A 23 -2.891 -0.245 2.545 1.00 0.00 C ATOM 232 CD2 LEU A 23 -5.219 0.633 2.798 1.00 0.00 C ATOM 0 H LEU A 23 -3.121 1.314 7.293 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.417 1.265 5.508 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.946 -0.428 5.135 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.523 -1.062 4.708 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.450 1.533 3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.831 0.245 1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.901 -0.270 3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.256 -1.264 2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.126 1.111 1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.642 -0.364 2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.874 1.229 3.433 1.00 0.00 H new ATOM 244 N GLU A 24 -6.415 -0.523 6.947 1.00 0.00 N ATOM 245 CA GLU A 24 -7.051 -1.388 7.934 1.00 0.00 C ATOM 246 C GLU A 24 -6.503 -2.809 7.847 1.00 0.00 C ATOM 247 O GLU A 24 -6.516 -3.428 6.782 1.00 0.00 O ATOM 248 CB GLU A 24 -8.568 -1.401 7.731 1.00 0.00 C ATOM 249 CG GLU A 24 -8.990 -1.786 6.323 1.00 0.00 C ATOM 250 CD GLU A 24 -10.324 -1.183 5.929 1.00 0.00 C ATOM 251 OE1 GLU A 24 -11.097 -0.808 6.835 1.00 0.00 O ATOM 252 OE2 GLU A 24 -10.595 -1.086 4.713 1.00 0.00 O ATOM 0 H GLU A 24 -7.040 -0.187 6.214 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.827 -0.992 8.924 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.015 -2.099 8.439 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.966 -0.413 7.963 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.226 -1.461 5.617 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.050 -2.872 6.250 1.00 0.00 H new ATOM 259 N VAL A 25 -6.020 -3.321 8.975 1.00 0.00 N ATOM 260 CA VAL A 25 -5.467 -4.669 9.027 1.00 0.00 C ATOM 261 C VAL A 25 -6.573 -5.712 9.148 1.00 0.00 C ATOM 262 O VAL A 25 -7.446 -5.610 10.009 1.00 0.00 O ATOM 263 CB VAL A 25 -4.493 -4.831 10.208 1.00 0.00 C ATOM 264 CG1 VAL A 25 -3.961 -6.255 10.271 1.00 0.00 C ATOM 265 CG2 VAL A 25 -3.352 -3.831 10.098 1.00 0.00 C ATOM 0 H VAL A 25 -6.001 -2.823 9.865 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.924 -4.825 8.095 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.034 -4.630 11.133 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.274 -6.350 11.112 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.792 -6.948 10.401 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.435 -6.488 9.345 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.673 -3.960 10.941 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.810 -3.998 9.167 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.754 -2.818 10.107 1.00 0.00 H new ATOM 275 N CYS A 26 -6.529 -6.717 8.279 1.00 0.00 N ATOM 276 CA CYS A 26 -7.526 -7.780 8.287 1.00 0.00 C ATOM 277 C CYS A 26 -7.613 -8.434 9.663 1.00 0.00 C ATOM 278 O CYS A 26 -6.623 -8.954 10.178 1.00 0.00 O ATOM 279 CB CYS A 26 -7.187 -8.833 7.230 1.00 0.00 C ATOM 280 SG CYS A 26 -8.492 -10.080 6.978 1.00 0.00 S ATOM 0 H CYS A 26 -5.813 -6.817 7.560 1.00 0.00 H new ATOM 0 HA CYS A 26 -8.494 -7.338 8.053 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -6.991 -8.331 6.282 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -6.266 -9.339 7.519 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.683 -10.257 5.704 1.00 0.00 H new ATOM 285 N ARG A 27 -8.804 -8.403 10.252 1.00 0.00 N ATOM 286 CA ARG A 27 -9.021 -8.991 11.568 1.00 0.00 C ATOM 287 C ARG A 27 -8.615 -10.462 11.580 1.00 0.00 C ATOM 288 O ARG A 27 -7.710 -10.860 12.312 1.00 0.00 O ATOM 289 CB ARG A 27 -10.488 -8.852 11.978 1.00 0.00 C ATOM 290 CG ARG A 27 -10.697 -8.777 13.481 1.00 0.00 C ATOM 291 CD ARG A 27 -12.104 -9.202 13.870 1.00 0.00 C ATOM 292 NE ARG A 27 -13.028 -8.072 13.900 1.00 0.00 N ATOM 293 CZ ARG A 27 -14.195 -8.093 14.535 1.00 0.00 C ATOM 294 NH1 ARG A 27 -14.578 -9.181 15.188 1.00 0.00 N ATOM 295 NH2 ARG A 27 -14.981 -7.024 14.517 1.00 0.00 N ATOM 0 H ARG A 27 -9.633 -7.977 9.838 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.399 -8.454 12.284 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.901 -7.955 11.517 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.048 -9.700 11.584 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -9.971 -9.417 13.983 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -10.515 -7.759 13.824 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -12.466 -9.948 13.162 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -12.081 -9.678 14.850 1.00 0.00 H new ATOM 0 HE ARG A 27 -12.763 -7.220 13.406 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -13.976 -10.005 15.204 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -15.474 -9.195 15.675 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -14.690 -6.185 14.015 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -15.877 -7.041 15.005 1.00 0.00 H new ATOM 309 N GLN A 28 -9.293 -11.263 10.764 1.00 0.00 N ATOM 310 CA GLN A 28 -9.004 -12.690 10.682 1.00 0.00 C ATOM 311 C GLN A 28 -7.505 -12.935 10.540 1.00 0.00 C ATOM 312 O GLN A 28 -6.941 -13.801 11.208 1.00 0.00 O ATOM 313 CB GLN A 28 -9.748 -13.316 9.501 1.00 0.00 C ATOM 314 CG GLN A 28 -11.261 -13.250 9.633 1.00 0.00 C ATOM 315 CD GLN A 28 -11.975 -14.085 8.588 1.00 0.00 C ATOM 316 OE1 GLN A 28 -11.763 -13.911 7.387 1.00 0.00 O ATOM 317 NE2 GLN A 28 -12.826 -14.998 9.039 1.00 0.00 N ATOM 0 H GLN A 28 -10.045 -10.949 10.151 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.345 -13.157 11.606 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.449 -12.809 8.584 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -9.445 -14.358 9.402 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.551 -13.593 10.626 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.585 -12.213 9.547 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.971 -15.108 10.043 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.335 -15.589 8.382 1.00 0.00 H new ATOM 326 N PHE A 29 -6.865 -12.165 9.666 1.00 0.00 N ATOM 327 CA PHE A 29 -5.431 -12.299 9.435 1.00 0.00 C ATOM 328 C PHE A 29 -4.669 -12.339 10.756 1.00 0.00 C ATOM 329 O PHE A 29 -3.860 -13.236 10.991 1.00 0.00 O ATOM 330 CB PHE A 29 -4.921 -11.142 8.574 1.00 0.00 C ATOM 331 CG PHE A 29 -3.424 -11.088 8.468 1.00 0.00 C ATOM 332 CD1 PHE A 29 -2.717 -12.142 7.912 1.00 0.00 C ATOM 333 CD2 PHE A 29 -2.724 -9.982 8.923 1.00 0.00 C ATOM 334 CE1 PHE A 29 -1.339 -12.095 7.815 1.00 0.00 C ATOM 335 CE2 PHE A 29 -1.346 -9.929 8.828 1.00 0.00 C ATOM 336 CZ PHE A 29 -0.653 -10.987 8.272 1.00 0.00 C ATOM 0 H PHE A 29 -7.317 -11.442 9.106 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.259 -13.238 8.908 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.345 -11.230 7.574 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.282 -10.202 8.992 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.249 -13.010 7.550 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.261 -9.152 9.357 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.799 -12.924 7.382 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.812 -9.062 9.188 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.424 -10.948 8.195 1.00 0.00 H new ATOM 346 N GLN A 30 -4.934 -11.360 11.615 1.00 0.00 N ATOM 347 CA GLN A 30 -4.273 -11.282 12.912 1.00 0.00 C ATOM 348 C GLN A 30 -4.350 -12.618 13.644 1.00 0.00 C ATOM 349 O GLN A 30 -3.326 -13.207 13.990 1.00 0.00 O ATOM 350 CB GLN A 30 -4.906 -10.182 13.766 1.00 0.00 C ATOM 351 CG GLN A 30 -4.249 -8.822 13.591 1.00 0.00 C ATOM 352 CD GLN A 30 -2.911 -8.725 14.298 1.00 0.00 C ATOM 353 OE1 GLN A 30 -2.819 -8.930 15.508 1.00 0.00 O ATOM 354 NE2 GLN A 30 -1.864 -8.411 13.543 1.00 0.00 N ATOM 0 H GLN A 30 -5.602 -10.610 11.436 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.224 -11.042 12.742 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.963 -10.101 13.514 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -4.850 -10.471 14.816 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.109 -8.624 12.528 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.915 -8.049 13.974 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.986 -8.249 12.543 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.938 -8.332 13.963 1.00 0.00 H new ATOM 363 N ARG A 31 -5.570 -13.090 13.875 1.00 0.00 N ATOM 364 CA ARG A 31 -5.781 -14.356 14.567 1.00 0.00 C ATOM 365 C ARG A 31 -5.296 -15.527 13.718 1.00 0.00 C ATOM 366 O ARG A 31 -4.990 -16.600 14.238 1.00 0.00 O ATOM 367 CB ARG A 31 -7.262 -14.537 14.905 1.00 0.00 C ATOM 368 CG ARG A 31 -7.793 -13.505 15.887 1.00 0.00 C ATOM 369 CD ARG A 31 -9.073 -13.981 16.556 1.00 0.00 C ATOM 370 NE ARG A 31 -9.798 -12.884 17.192 1.00 0.00 N ATOM 371 CZ ARG A 31 -10.416 -11.922 16.516 1.00 0.00 C ATOM 372 NH1 ARG A 31 -10.397 -11.921 15.190 1.00 0.00 N ATOM 373 NH2 ARG A 31 -11.054 -10.957 17.166 1.00 0.00 N ATOM 0 H ARG A 31 -6.428 -12.615 13.593 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.204 -14.336 15.492 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.845 -14.485 13.985 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.412 -15.533 15.321 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.038 -13.301 16.646 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.981 -12.567 15.365 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.714 -14.458 15.814 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.832 -14.738 17.303 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.832 -12.855 18.211 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.907 -12.660 14.686 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.873 -11.181 14.674 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.070 -10.953 18.186 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.528 -10.219 16.646 1.00 0.00 H new ATOM 387 N GLY A 32 -5.227 -15.313 12.407 1.00 0.00 N ATOM 388 CA GLY A 32 -4.779 -16.360 11.507 1.00 0.00 C ATOM 389 C GLY A 32 -5.926 -17.192 10.969 1.00 0.00 C ATOM 390 O GLY A 32 -5.761 -18.378 10.679 1.00 0.00 O ATOM 0 H GLY A 32 -5.473 -14.434 11.953 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.237 -15.912 10.674 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.077 -17.009 12.031 1.00 0.00 H new ATOM 394 N THR A 33 -7.095 -16.572 10.837 1.00 0.00 N ATOM 395 CA THR A 33 -8.274 -17.264 10.334 1.00 0.00 C ATOM 396 C THR A 33 -8.771 -16.634 9.038 1.00 0.00 C ATOM 397 O THR A 33 -9.973 -16.587 8.779 1.00 0.00 O ATOM 398 CB THR A 33 -9.417 -17.252 11.367 1.00 0.00 C ATOM 399 OG1 THR A 33 -9.987 -15.941 11.452 1.00 0.00 O ATOM 400 CG2 THR A 33 -8.912 -17.681 12.737 1.00 0.00 C ATOM 0 H THR A 33 -7.250 -15.592 11.072 1.00 0.00 H new ATOM 0 HA THR A 33 -7.976 -18.295 10.143 1.00 0.00 H new ATOM 0 HB THR A 33 -10.180 -17.959 11.041 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.714 -15.942 12.109 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.736 -17.665 13.450 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.505 -18.690 12.675 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.132 -16.995 13.068 1.00 0.00 H new ATOM 408 N CYS A 34 -7.837 -16.150 8.226 1.00 0.00 N ATOM 409 CA CYS A 34 -8.179 -15.522 6.955 1.00 0.00 C ATOM 410 C CYS A 34 -7.803 -16.424 5.783 1.00 0.00 C ATOM 411 O CYS A 34 -6.636 -16.505 5.399 1.00 0.00 O ATOM 412 CB CYS A 34 -7.469 -14.173 6.822 1.00 0.00 C ATOM 413 SG CYS A 34 -7.487 -13.487 5.135 1.00 0.00 S ATOM 0 H CYS A 34 -6.837 -16.181 8.426 1.00 0.00 H new ATOM 0 HA CYS A 34 -9.257 -15.362 6.936 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -7.939 -13.459 7.498 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -6.434 -14.285 7.146 1.00 0.00 H new ATOM 0 HG CYS A 34 -6.451 -12.720 4.967 1.00 0.00 H new ATOM 418 N SER A 35 -8.799 -17.100 5.221 1.00 0.00 N ATOM 419 CA SER A 35 -8.573 -18.000 4.096 1.00 0.00 C ATOM 420 C SER A 35 -8.634 -17.241 2.773 1.00 0.00 C ATOM 421 O SER A 35 -8.903 -17.824 1.723 1.00 0.00 O ATOM 422 CB SER A 35 -9.609 -19.125 4.099 1.00 0.00 C ATOM 423 OG SER A 35 -9.316 -20.092 3.105 1.00 0.00 O ATOM 0 H SER A 35 -9.771 -17.042 5.526 1.00 0.00 H new ATOM 0 HA SER A 35 -7.578 -18.432 4.202 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.630 -19.601 5.079 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.602 -18.710 3.925 1.00 0.00 H new ATOM 0 HG SER A 35 -9.210 -19.648 2.238 1.00 0.00 H new ATOM 429 N ARG A 36 -8.383 -15.938 2.834 1.00 0.00 N ATOM 430 CA ARG A 36 -8.411 -15.098 1.642 1.00 0.00 C ATOM 431 C ARG A 36 -7.008 -14.617 1.284 1.00 0.00 C ATOM 432 O ARG A 36 -6.305 -14.046 2.118 1.00 0.00 O ATOM 433 CB ARG A 36 -9.333 -13.897 1.859 1.00 0.00 C ATOM 434 CG ARG A 36 -10.791 -14.278 2.062 1.00 0.00 C ATOM 435 CD ARG A 36 -11.522 -14.407 0.735 1.00 0.00 C ATOM 436 NE ARG A 36 -12.840 -15.017 0.893 1.00 0.00 N ATOM 437 CZ ARG A 36 -13.466 -15.674 -0.077 1.00 0.00 C ATOM 438 NH1 ARG A 36 -12.898 -15.807 -1.267 1.00 0.00 N ATOM 439 NH2 ARG A 36 -14.664 -16.201 0.144 1.00 0.00 N ATOM 0 H ARG A 36 -8.158 -15.441 3.696 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.794 -15.696 0.815 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.988 -13.337 2.728 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.256 -13.231 1.000 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.850 -15.222 2.604 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.283 -13.525 2.678 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.631 -13.421 0.284 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.925 -15.007 0.049 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.305 -14.934 1.797 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.977 -15.404 -1.440 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.382 -16.312 -2.009 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.104 -16.101 1.059 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.145 -16.705 -0.601 1.00 0.00 H new ATOM 453 N SER A 37 -6.607 -14.852 0.038 1.00 0.00 N ATOM 454 CA SER A 37 -5.287 -14.446 -0.429 1.00 0.00 C ATOM 455 C SER A 37 -5.093 -12.941 -0.271 1.00 0.00 C ATOM 456 O SER A 37 -5.955 -12.246 0.268 1.00 0.00 O ATOM 457 CB SER A 37 -5.097 -14.845 -1.894 1.00 0.00 C ATOM 458 OG SER A 37 -4.921 -16.246 -2.022 1.00 0.00 O ATOM 0 H SER A 37 -7.177 -15.321 -0.665 1.00 0.00 H new ATOM 0 HA SER A 37 -4.541 -14.956 0.180 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.963 -14.529 -2.476 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.231 -14.327 -2.306 1.00 0.00 H new ATOM 0 HG SER A 37 -4.803 -16.476 -2.967 1.00 0.00 H new ATOM 464 N ASP A 38 -3.956 -12.444 -0.745 1.00 0.00 N ATOM 465 CA ASP A 38 -3.648 -11.022 -0.659 1.00 0.00 C ATOM 466 C ASP A 38 -4.273 -10.258 -1.822 1.00 0.00 C ATOM 467 O ASP A 38 -4.656 -9.098 -1.680 1.00 0.00 O ATOM 468 CB ASP A 38 -2.134 -10.806 -0.646 1.00 0.00 C ATOM 469 CG ASP A 38 -1.471 -11.424 0.569 1.00 0.00 C ATOM 470 OD1 ASP A 38 -1.416 -10.753 1.621 1.00 0.00 O ATOM 471 OD2 ASP A 38 -1.007 -12.579 0.469 1.00 0.00 O ATOM 0 H ASP A 38 -3.232 -13.006 -1.193 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.070 -10.640 0.271 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.701 -11.235 -1.550 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.922 -9.737 -0.667 1.00 0.00 H new ATOM 476 N GLU A 39 -4.372 -10.919 -2.972 1.00 0.00 N ATOM 477 CA GLU A 39 -4.949 -10.300 -4.160 1.00 0.00 C ATOM 478 C GLU A 39 -6.460 -10.507 -4.201 1.00 0.00 C ATOM 479 O GLU A 39 -7.156 -9.912 -5.024 1.00 0.00 O ATOM 480 CB GLU A 39 -4.310 -10.878 -5.424 1.00 0.00 C ATOM 481 CG GLU A 39 -4.582 -10.058 -6.673 1.00 0.00 C ATOM 482 CD GLU A 39 -4.263 -10.814 -7.949 1.00 0.00 C ATOM 483 OE1 GLU A 39 -3.073 -11.112 -8.180 1.00 0.00 O ATOM 484 OE2 GLU A 39 -5.204 -11.107 -8.715 1.00 0.00 O ATOM 0 H GLU A 39 -4.061 -11.881 -3.106 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.747 -9.230 -4.116 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.233 -10.951 -5.275 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.680 -11.892 -5.577 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.630 -9.758 -6.685 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.989 -9.144 -6.639 1.00 0.00 H new ATOM 491 N GLU A 40 -6.961 -11.354 -3.307 1.00 0.00 N ATOM 492 CA GLU A 40 -8.389 -11.640 -3.242 1.00 0.00 C ATOM 493 C GLU A 40 -9.041 -10.896 -2.079 1.00 0.00 C ATOM 494 O GLU A 40 -9.992 -10.138 -2.267 1.00 0.00 O ATOM 495 CB GLU A 40 -8.625 -13.144 -3.096 1.00 0.00 C ATOM 496 CG GLU A 40 -8.140 -13.955 -4.286 1.00 0.00 C ATOM 497 CD GLU A 40 -8.854 -13.586 -5.572 1.00 0.00 C ATOM 498 OE1 GLU A 40 -8.646 -12.457 -6.063 1.00 0.00 O ATOM 499 OE2 GLU A 40 -9.621 -14.427 -6.087 1.00 0.00 O ATOM 0 H GLU A 40 -6.399 -11.854 -2.618 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.844 -11.297 -4.171 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.120 -13.497 -2.197 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.691 -13.324 -2.955 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.068 -13.802 -4.413 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.289 -15.016 -4.083 1.00 0.00 H new ATOM 506 N CYS A 41 -8.521 -11.120 -0.877 1.00 0.00 N ATOM 507 CA CYS A 41 -9.051 -10.474 0.318 1.00 0.00 C ATOM 508 C CYS A 41 -9.057 -8.956 0.158 1.00 0.00 C ATOM 509 O CYS A 41 -8.113 -8.373 -0.376 1.00 0.00 O ATOM 510 CB CYS A 41 -8.224 -10.866 1.544 1.00 0.00 C ATOM 511 SG CYS A 41 -9.141 -10.782 3.117 1.00 0.00 S ATOM 0 H CYS A 41 -7.733 -11.744 -0.705 1.00 0.00 H new ATOM 0 HA CYS A 41 -10.078 -10.811 0.458 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.850 -11.881 1.407 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.355 -10.212 1.607 1.00 0.00 H new ATOM 0 HG CYS A 41 -8.663 -11.663 3.945 1.00 0.00 H new ATOM 516 N LYS A 42 -10.126 -8.322 0.626 1.00 0.00 N ATOM 517 CA LYS A 42 -10.256 -6.872 0.538 1.00 0.00 C ATOM 518 C LYS A 42 -9.546 -6.191 1.703 1.00 0.00 C ATOM 519 O LYS A 42 -9.936 -5.104 2.130 1.00 0.00 O ATOM 520 CB LYS A 42 -11.733 -6.472 0.523 1.00 0.00 C ATOM 521 CG LYS A 42 -12.453 -6.753 1.830 1.00 0.00 C ATOM 522 CD LYS A 42 -13.954 -6.557 1.694 1.00 0.00 C ATOM 523 CE LYS A 42 -14.578 -6.098 3.003 1.00 0.00 C ATOM 524 NZ LYS A 42 -16.016 -6.471 3.093 1.00 0.00 N ATOM 0 H LYS A 42 -10.916 -8.790 1.071 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.788 -6.546 -0.391 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.810 -5.409 0.297 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.237 -7.007 -0.282 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.246 -7.775 2.148 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.068 -6.093 2.608 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.157 -5.821 0.916 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.417 -7.492 1.377 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.035 -6.540 3.839 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.477 -5.016 3.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.404 -6.140 3.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.539 -6.029 2.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.111 -7.505 3.032 1.00 0.00 H new ATOM 538 N PHE A 43 -8.501 -6.835 2.212 1.00 0.00 N ATOM 539 CA PHE A 43 -7.736 -6.290 3.328 1.00 0.00 C ATOM 540 C PHE A 43 -6.241 -6.515 3.123 1.00 0.00 C ATOM 541 O PHE A 43 -5.833 -7.343 2.309 1.00 0.00 O ATOM 542 CB PHE A 43 -8.185 -6.931 4.643 1.00 0.00 C ATOM 543 CG PHE A 43 -9.642 -6.724 4.944 1.00 0.00 C ATOM 544 CD1 PHE A 43 -10.605 -7.529 4.358 1.00 0.00 C ATOM 545 CD2 PHE A 43 -10.048 -5.724 5.813 1.00 0.00 C ATOM 546 CE1 PHE A 43 -11.947 -7.341 4.633 1.00 0.00 C ATOM 547 CE2 PHE A 43 -11.387 -5.532 6.093 1.00 0.00 C ATOM 548 CZ PHE A 43 -12.338 -6.341 5.501 1.00 0.00 C ATOM 0 H PHE A 43 -8.164 -7.735 1.870 1.00 0.00 H new ATOM 0 HA PHE A 43 -7.921 -5.217 3.374 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -7.978 -8.001 4.606 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.592 -6.520 5.460 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.304 -8.313 3.678 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.309 -5.087 6.277 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -12.688 -7.975 4.170 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -11.690 -4.750 6.774 1.00 0.00 H new ATOM 0 HZ PHE A 43 -13.386 -6.191 5.717 1.00 0.00 H new ATOM 558 N ALA A 44 -5.429 -5.772 3.868 1.00 0.00 N ATOM 559 CA ALA A 44 -3.980 -5.891 3.770 1.00 0.00 C ATOM 560 C ALA A 44 -3.423 -6.759 4.893 1.00 0.00 C ATOM 561 O ALA A 44 -3.812 -6.616 6.053 1.00 0.00 O ATOM 562 CB ALA A 44 -3.334 -4.513 3.797 1.00 0.00 C ATOM 0 H ALA A 44 -5.751 -5.081 4.546 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.744 -6.373 2.821 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.252 -4.617 3.723 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.700 -3.923 2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.587 -4.011 4.731 1.00 0.00 H new ATOM 568 N HIS A 45 -2.512 -7.661 4.542 1.00 0.00 N ATOM 569 CA HIS A 45 -1.902 -8.553 5.521 1.00 0.00 C ATOM 570 C HIS A 45 -0.394 -8.327 5.597 1.00 0.00 C ATOM 571 O HIS A 45 0.386 -8.929 4.859 1.00 0.00 O ATOM 572 CB HIS A 45 -2.194 -10.011 5.165 1.00 0.00 C ATOM 573 CG HIS A 45 -3.626 -10.265 4.808 1.00 0.00 C ATOM 574 ND1 HIS A 45 -4.751 -9.581 5.121 1.00 0.00 N flip ATOM 575 CD2 HIS A 45 -4.031 -11.335 4.038 1.00 0.00 C flip ATOM 576 CE1 HIS A 45 -5.805 -10.243 4.540 1.00 0.00 C flip ATOM 577 NE2 HIS A 45 -5.343 -11.297 3.892 1.00 0.00 N flip ATOM 0 H HIS A 45 -2.180 -7.793 3.587 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.334 -8.332 6.497 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.562 -10.306 4.328 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.921 -10.644 6.009 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.378 -12.086 3.620 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.842 -9.949 4.603 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.904 -11.968 3.368 1.00 0.00 H new ATOM 585 N PRO A 46 0.026 -7.439 6.509 1.00 0.00 N ATOM 586 CA PRO A 46 1.443 -7.113 6.703 1.00 0.00 C ATOM 587 C PRO A 46 2.223 -8.267 7.323 1.00 0.00 C ATOM 588 O PRO A 46 1.723 -8.999 8.177 1.00 0.00 O ATOM 589 CB PRO A 46 1.404 -5.919 7.659 1.00 0.00 C ATOM 590 CG PRO A 46 0.117 -6.064 8.395 1.00 0.00 C ATOM 591 CD PRO A 46 -0.848 -6.684 7.423 1.00 0.00 C ATOM 0 HA PRO A 46 1.947 -6.904 5.759 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.254 -5.931 8.342 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.445 -4.975 7.115 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.240 -6.692 9.277 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.246 -5.096 8.741 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.562 -7.336 7.926 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.426 -5.927 6.893 1.00 0.00 H new ATOM 599 N PRO A 47 3.480 -8.436 6.885 1.00 0.00 N ATOM 600 CA PRO A 47 4.356 -9.499 7.384 1.00 0.00 C ATOM 601 C PRO A 47 4.787 -9.264 8.828 1.00 0.00 C ATOM 602 O PRO A 47 4.422 -8.261 9.441 1.00 0.00 O ATOM 603 CB PRO A 47 5.565 -9.431 6.448 1.00 0.00 C ATOM 604 CG PRO A 47 5.581 -8.027 5.951 1.00 0.00 C ATOM 605 CD PRO A 47 4.141 -7.601 5.868 1.00 0.00 C ATOM 0 HA PRO A 47 3.858 -10.469 7.390 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.488 -9.675 6.975 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.470 -10.141 5.626 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.141 -7.380 6.626 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.064 -7.964 4.976 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.023 -6.539 6.082 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.727 -7.774 4.875 1.00 0.00 H new ATOM 613 N LYS A 48 5.566 -10.196 9.367 1.00 0.00 N ATOM 614 CA LYS A 48 6.049 -10.091 10.739 1.00 0.00 C ATOM 615 C LYS A 48 7.054 -8.951 10.876 1.00 0.00 C ATOM 616 O LYS A 48 7.126 -8.296 11.915 1.00 0.00 O ATOM 617 CB LYS A 48 6.693 -11.408 11.178 1.00 0.00 C ATOM 618 CG LYS A 48 6.559 -11.685 12.665 1.00 0.00 C ATOM 619 CD LYS A 48 7.133 -13.042 13.034 1.00 0.00 C ATOM 620 CE LYS A 48 7.005 -13.316 14.524 1.00 0.00 C ATOM 621 NZ LYS A 48 5.647 -13.809 14.883 1.00 0.00 N ATOM 0 H LYS A 48 5.877 -11.033 8.874 1.00 0.00 H new ATOM 0 HA LYS A 48 5.195 -9.879 11.383 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.239 -12.228 10.622 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.750 -11.391 10.914 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.073 -10.906 13.229 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.508 -11.644 12.950 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.616 -13.821 12.474 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.183 -13.085 12.744 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.750 -14.054 14.823 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.219 -12.404 15.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.601 -13.984 15.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.938 -13.095 14.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.452 -14.693 14.372 1.00 0.00 H new ATOM 635 N SER A 49 7.828 -8.721 9.820 1.00 0.00 N ATOM 636 CA SER A 49 8.830 -7.662 9.824 1.00 0.00 C ATOM 637 C SER A 49 8.181 -6.298 9.607 1.00 0.00 C ATOM 638 O SER A 49 8.870 -5.289 9.447 1.00 0.00 O ATOM 639 CB SER A 49 9.879 -7.919 8.739 1.00 0.00 C ATOM 640 OG SER A 49 10.487 -9.187 8.909 1.00 0.00 O ATOM 0 H SER A 49 7.780 -9.254 8.951 1.00 0.00 H new ATOM 0 HA SER A 49 9.318 -7.662 10.799 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.411 -7.865 7.756 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.640 -7.140 8.773 1.00 0.00 H new ATOM 0 HG SER A 49 11.152 -9.328 8.203 1.00 0.00 H new ATOM 646 N CYS A 50 6.853 -6.276 9.602 1.00 0.00 N ATOM 647 CA CYS A 50 6.110 -5.037 9.403 1.00 0.00 C ATOM 648 C CYS A 50 5.612 -4.483 10.734 1.00 0.00 C ATOM 649 O CYS A 50 5.207 -5.237 11.619 1.00 0.00 O ATOM 650 CB CYS A 50 4.928 -5.273 8.461 1.00 0.00 C ATOM 651 SG CYS A 50 4.445 -3.816 7.505 1.00 0.00 S ATOM 0 H CYS A 50 6.269 -7.102 9.733 1.00 0.00 H new ATOM 0 HA CYS A 50 6.783 -4.306 8.954 1.00 0.00 H new ATOM 0 HB2 CYS A 50 5.181 -6.079 7.772 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.073 -5.611 9.046 1.00 0.00 H new ATOM 0 HG CYS A 50 3.162 -3.633 7.611 1.00 0.00 H new ATOM 657 N GLN A 51 5.646 -3.161 10.869 1.00 0.00 N ATOM 658 CA GLN A 51 5.201 -2.507 12.093 1.00 0.00 C ATOM 659 C GLN A 51 3.700 -2.238 12.051 1.00 0.00 C ATOM 660 O GLN A 51 3.234 -1.377 11.305 1.00 0.00 O ATOM 661 CB GLN A 51 5.960 -1.195 12.301 1.00 0.00 C ATOM 662 CG GLN A 51 5.564 -0.457 13.569 1.00 0.00 C ATOM 663 CD GLN A 51 4.230 0.252 13.440 1.00 0.00 C ATOM 664 OE1 GLN A 51 4.023 1.047 12.523 1.00 0.00 O ATOM 665 NE2 GLN A 51 3.316 -0.034 14.359 1.00 0.00 N ATOM 0 H GLN A 51 5.977 -2.522 10.146 1.00 0.00 H new ATOM 0 HA GLN A 51 5.409 -3.175 12.928 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.029 -1.405 12.332 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.787 -0.545 11.443 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.516 -1.165 14.397 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.336 0.272 13.817 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.530 -0.699 15.102 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.399 0.412 14.322 1.00 0.00 H new ATOM 674 N VAL A 52 2.948 -2.980 12.858 1.00 0.00 N ATOM 675 CA VAL A 52 1.500 -2.821 12.914 1.00 0.00 C ATOM 676 C VAL A 52 1.103 -1.749 13.923 1.00 0.00 C ATOM 677 O VAL A 52 1.534 -1.777 15.075 1.00 0.00 O ATOM 678 CB VAL A 52 0.804 -4.144 13.287 1.00 0.00 C ATOM 679 CG1 VAL A 52 -0.706 -3.962 13.319 1.00 0.00 C ATOM 680 CG2 VAL A 52 1.197 -5.245 12.313 1.00 0.00 C ATOM 0 H VAL A 52 3.318 -3.697 13.482 1.00 0.00 H new ATOM 0 HA VAL A 52 1.177 -2.517 11.919 1.00 0.00 H new ATOM 0 HB VAL A 52 1.131 -4.439 14.284 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.181 -4.907 13.584 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.966 -3.205 14.059 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.055 -3.644 12.337 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.697 -6.173 12.591 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.900 -4.961 11.304 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.277 -5.391 12.346 1.00 0.00 H new ATOM 690 N GLU A 53 0.278 -0.805 13.481 1.00 0.00 N ATOM 691 CA GLU A 53 -0.176 0.278 14.346 1.00 0.00 C ATOM 692 C GLU A 53 -1.460 -0.111 15.075 1.00 0.00 C ATOM 693 O GLU A 53 -2.083 -1.123 14.758 1.00 0.00 O ATOM 694 CB GLU A 53 -0.407 1.551 13.529 1.00 0.00 C ATOM 695 CG GLU A 53 0.822 2.440 13.429 1.00 0.00 C ATOM 696 CD GLU A 53 0.485 3.853 12.993 1.00 0.00 C ATOM 697 OE1 GLU A 53 -0.282 4.007 12.020 1.00 0.00 O ATOM 698 OE2 GLU A 53 0.989 4.804 13.626 1.00 0.00 O ATOM 0 H GLU A 53 -0.089 -0.768 12.530 1.00 0.00 H new ATOM 0 HA GLU A 53 0.601 0.467 15.087 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.728 1.275 12.525 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.221 2.119 13.979 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.323 2.472 14.397 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.525 2.003 12.720 1.00 0.00 H new ATOM 705 N ASN A 54 -1.847 0.701 16.053 1.00 0.00 N ATOM 706 CA ASN A 54 -3.055 0.442 16.828 1.00 0.00 C ATOM 707 C ASN A 54 -4.252 0.216 15.910 1.00 0.00 C ATOM 708 O ASN A 54 -4.769 1.154 15.304 1.00 0.00 O ATOM 709 CB ASN A 54 -3.338 1.610 17.776 1.00 0.00 C ATOM 710 CG ASN A 54 -4.625 1.423 18.555 1.00 0.00 C ATOM 711 OD1 ASN A 54 -5.720 1.578 18.013 1.00 0.00 O ATOM 712 ND2 ASN A 54 -4.499 1.089 19.834 1.00 0.00 N ATOM 0 H ASN A 54 -1.342 1.544 16.328 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.894 -0.462 17.415 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.507 1.718 18.473 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.395 2.535 17.202 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.330 0.950 20.409 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.571 0.971 20.241 1.00 0.00 H new ATOM 719 N GLY A 55 -4.689 -1.036 15.813 1.00 0.00 N ATOM 720 CA GLY A 55 -5.823 -1.363 14.968 1.00 0.00 C ATOM 721 C GLY A 55 -5.642 -0.878 13.543 1.00 0.00 C ATOM 722 O GLY A 55 -6.617 -0.701 12.813 1.00 0.00 O ATOM 0 H GLY A 55 -4.278 -1.830 16.304 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.971 -2.443 14.965 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.725 -0.919 15.388 1.00 0.00 H new ATOM 726 N ARG A 56 -4.392 -0.662 13.147 1.00 0.00 N ATOM 727 CA ARG A 56 -4.088 -0.192 11.801 1.00 0.00 C ATOM 728 C ARG A 56 -2.657 -0.551 11.411 1.00 0.00 C ATOM 729 O ARG A 56 -1.872 -1.012 12.240 1.00 0.00 O ATOM 730 CB ARG A 56 -4.289 1.321 11.709 1.00 0.00 C ATOM 731 CG ARG A 56 -4.749 1.792 10.339 1.00 0.00 C ATOM 732 CD ARG A 56 -5.570 3.068 10.435 1.00 0.00 C ATOM 733 NE ARG A 56 -6.994 2.792 10.610 1.00 0.00 N ATOM 734 CZ ARG A 56 -7.841 3.636 11.187 1.00 0.00 C ATOM 735 NH1 ARG A 56 -7.411 4.805 11.642 1.00 0.00 N ATOM 736 NH2 ARG A 56 -9.122 3.313 11.310 1.00 0.00 N ATOM 0 H ARG A 56 -3.574 -0.805 13.739 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.770 -0.685 11.108 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.023 1.628 12.455 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.353 1.819 11.960 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.881 1.963 9.702 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.343 1.011 9.865 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.212 3.667 11.272 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.424 3.661 9.532 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.358 1.902 10.270 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.427 5.058 11.549 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.064 5.451 12.085 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.457 2.415 10.961 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.771 3.963 11.754 1.00 0.00 H new ATOM 750 N VAL A 57 -2.323 -0.336 10.142 1.00 0.00 N ATOM 751 CA VAL A 57 -0.987 -0.636 9.641 1.00 0.00 C ATOM 752 C VAL A 57 -0.533 0.409 8.628 1.00 0.00 C ATOM 753 O VAL A 57 -1.323 0.877 7.808 1.00 0.00 O ATOM 754 CB VAL A 57 -0.932 -2.029 8.986 1.00 0.00 C ATOM 755 CG1 VAL A 57 -1.888 -2.101 7.805 1.00 0.00 C ATOM 756 CG2 VAL A 57 0.488 -2.358 8.553 1.00 0.00 C ATOM 0 H VAL A 57 -2.960 0.045 9.442 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.316 -0.621 10.500 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.244 -2.770 9.722 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.836 -3.092 7.355 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.905 -1.911 8.148 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.609 -1.351 7.065 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.508 -3.346 8.092 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.830 -1.615 7.833 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.145 -2.350 9.423 1.00 0.00 H new ATOM 766 N ILE A 58 0.744 0.769 8.691 1.00 0.00 N ATOM 767 CA ILE A 58 1.304 1.758 7.777 1.00 0.00 C ATOM 768 C ILE A 58 1.831 1.097 6.508 1.00 0.00 C ATOM 769 O ILE A 58 2.599 0.137 6.568 1.00 0.00 O ATOM 770 CB ILE A 58 2.444 2.554 8.439 1.00 0.00 C ATOM 771 CG1 ILE A 58 1.930 3.288 9.679 1.00 0.00 C ATOM 772 CG2 ILE A 58 3.048 3.538 7.448 1.00 0.00 C ATOM 773 CD1 ILE A 58 3.001 4.071 10.406 1.00 0.00 C ATOM 0 H ILE A 58 1.410 0.391 9.365 1.00 0.00 H new ATOM 0 HA ILE A 58 0.496 2.443 7.519 1.00 0.00 H new ATOM 0 HB ILE A 58 3.222 1.856 8.749 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.132 3.969 9.383 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.493 2.563 10.365 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.852 4.093 7.931 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.446 2.994 6.591 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.279 4.233 7.111 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.564 4.565 11.274 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.789 3.393 10.733 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.422 4.820 9.736 1.00 0.00 H new ATOM 785 N ALA A 59 1.414 1.619 5.359 1.00 0.00 N ATOM 786 CA ALA A 59 1.847 1.082 4.075 1.00 0.00 C ATOM 787 C ALA A 59 3.195 1.664 3.663 1.00 0.00 C ATOM 788 O ALA A 59 3.628 2.689 4.190 1.00 0.00 O ATOM 789 CB ALA A 59 0.801 1.362 3.006 1.00 0.00 C ATOM 0 H ALA A 59 0.777 2.413 5.291 1.00 0.00 H new ATOM 0 HA ALA A 59 1.963 0.003 4.181 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.138 0.955 2.052 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.142 0.893 3.288 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.657 2.438 2.911 1.00 0.00 H new ATOM 795 N CYS A 60 3.856 1.003 2.718 1.00 0.00 N ATOM 796 CA CYS A 60 5.156 1.453 2.236 1.00 0.00 C ATOM 797 C CYS A 60 4.996 2.501 1.138 1.00 0.00 C ATOM 798 O CYS A 60 3.973 2.548 0.454 1.00 0.00 O ATOM 799 CB CYS A 60 5.967 0.267 1.710 1.00 0.00 C ATOM 800 SG CYS A 60 7.709 0.659 1.350 1.00 0.00 S ATOM 0 H CYS A 60 3.512 0.153 2.271 1.00 0.00 H new ATOM 0 HA CYS A 60 5.689 1.906 3.072 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.931 -0.538 2.444 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.495 -0.108 0.802 1.00 0.00 H new ATOM 0 HG CYS A 60 8.469 0.144 2.270 1.00 0.00 H new ATOM 805 N PHE A 61 6.014 3.340 0.976 1.00 0.00 N ATOM 806 CA PHE A 61 5.986 4.388 -0.038 1.00 0.00 C ATOM 807 C PHE A 61 6.539 3.876 -1.365 1.00 0.00 C ATOM 808 O PHE A 61 5.865 3.933 -2.394 1.00 0.00 O ATOM 809 CB PHE A 61 6.794 5.600 0.430 1.00 0.00 C ATOM 810 CG PHE A 61 6.580 6.825 -0.414 1.00 0.00 C ATOM 811 CD1 PHE A 61 7.068 6.883 -1.710 1.00 0.00 C ATOM 812 CD2 PHE A 61 5.892 7.917 0.088 1.00 0.00 C ATOM 813 CE1 PHE A 61 6.874 8.008 -2.488 1.00 0.00 C ATOM 814 CE2 PHE A 61 5.694 9.045 -0.686 1.00 0.00 C ATOM 815 CZ PHE A 61 6.184 9.090 -1.976 1.00 0.00 C ATOM 0 H PHE A 61 6.868 3.315 1.533 1.00 0.00 H new ATOM 0 HA PHE A 61 4.949 4.687 -0.188 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.527 5.828 1.462 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.854 5.345 0.424 1.00 0.00 H new ATOM 0 HD1 PHE A 61 7.606 6.039 -2.116 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.506 7.887 1.096 1.00 0.00 H new ATOM 0 HE1 PHE A 61 7.261 8.042 -3.496 1.00 0.00 H new ATOM 0 HE2 PHE A 61 5.157 9.890 -0.282 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.028 9.969 -2.584 1.00 0.00 H new ATOM 825 N ASP A 62 7.770 3.376 -1.333 1.00 0.00 N ATOM 826 CA ASP A 62 8.414 2.853 -2.532 1.00 0.00 C ATOM 827 C ASP A 62 7.568 1.754 -3.167 1.00 0.00 C ATOM 828 O ASP A 62 7.338 1.755 -4.376 1.00 0.00 O ATOM 829 CB ASP A 62 9.805 2.313 -2.195 1.00 0.00 C ATOM 830 CG ASP A 62 10.877 3.381 -2.282 1.00 0.00 C ATOM 831 OD1 ASP A 62 11.111 3.899 -3.395 1.00 0.00 O ATOM 832 OD2 ASP A 62 11.482 3.701 -1.238 1.00 0.00 O ATOM 0 H ASP A 62 8.341 3.322 -0.490 1.00 0.00 H new ATOM 0 HA ASP A 62 8.513 3.669 -3.247 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.795 1.894 -1.189 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.051 1.499 -2.877 1.00 0.00 H new ATOM 837 N SER A 63 7.110 0.816 -2.344 1.00 0.00 N ATOM 838 CA SER A 63 6.295 -0.292 -2.827 1.00 0.00 C ATOM 839 C SER A 63 5.251 0.196 -3.827 1.00 0.00 C ATOM 840 O SER A 63 4.948 -0.484 -4.808 1.00 0.00 O ATOM 841 CB SER A 63 5.605 -0.994 -1.655 1.00 0.00 C ATOM 842 OG SER A 63 4.459 -0.274 -1.233 1.00 0.00 O ATOM 0 H SER A 63 7.290 0.801 -1.340 1.00 0.00 H new ATOM 0 HA SER A 63 6.952 -1.001 -3.331 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.316 -2.003 -1.950 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.303 -1.092 -0.824 1.00 0.00 H new ATOM 0 HG SER A 63 3.665 -0.840 -1.325 1.00 0.00 H new ATOM 848 N LEU A 64 4.705 1.380 -3.572 1.00 0.00 N ATOM 849 CA LEU A 64 3.696 1.962 -4.449 1.00 0.00 C ATOM 850 C LEU A 64 4.189 2.009 -5.892 1.00 0.00 C ATOM 851 O LEU A 64 3.440 1.725 -6.826 1.00 0.00 O ATOM 852 CB LEU A 64 3.331 3.370 -3.976 1.00 0.00 C ATOM 853 CG LEU A 64 2.904 3.497 -2.513 1.00 0.00 C ATOM 854 CD1 LEU A 64 2.929 4.953 -2.075 1.00 0.00 C ATOM 855 CD2 LEU A 64 1.520 2.899 -2.307 1.00 0.00 C ATOM 0 H LEU A 64 4.944 1.956 -2.765 1.00 0.00 H new ATOM 0 HA LEU A 64 2.808 1.331 -4.409 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.190 4.021 -4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.522 3.744 -4.604 1.00 0.00 H new ATOM 0 HG LEU A 64 3.612 2.942 -1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.622 5.024 -1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.939 5.349 -2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.244 5.531 -2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.233 2.998 -1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.799 3.426 -2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.535 1.844 -2.580 1.00 0.00 H new ATOM 867 N LYS A 65 5.456 2.369 -6.066 1.00 0.00 N ATOM 868 CA LYS A 65 6.053 2.451 -7.394 1.00 0.00 C ATOM 869 C LYS A 65 6.203 1.064 -8.010 1.00 0.00 C ATOM 870 O LYS A 65 6.182 0.910 -9.230 1.00 0.00 O ATOM 871 CB LYS A 65 7.419 3.138 -7.320 1.00 0.00 C ATOM 872 CG LYS A 65 7.343 4.653 -7.399 1.00 0.00 C ATOM 873 CD LYS A 65 6.976 5.121 -8.798 1.00 0.00 C ATOM 874 CE LYS A 65 6.986 6.639 -8.898 1.00 0.00 C ATOM 875 NZ LYS A 65 5.688 7.231 -8.472 1.00 0.00 N ATOM 0 H LYS A 65 6.090 2.609 -5.304 1.00 0.00 H new ATOM 0 HA LYS A 65 5.390 3.041 -8.027 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.908 2.855 -6.388 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.045 2.771 -8.133 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.604 5.019 -6.686 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.303 5.082 -7.111 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.679 4.703 -9.519 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.988 4.744 -9.061 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.788 7.039 -8.278 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.200 6.934 -9.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.735 8.267 -8.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.925 6.869 -9.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.496 6.971 -7.484 1.00 0.00 H new ATOM 889 N GLY A 66 6.353 0.055 -7.156 1.00 0.00 N ATOM 890 CA GLY A 66 6.502 -1.306 -7.635 1.00 0.00 C ATOM 891 C GLY A 66 7.885 -1.866 -7.369 1.00 0.00 C ATOM 892 O GLY A 66 8.107 -3.072 -7.484 1.00 0.00 O ATOM 0 H GLY A 66 6.374 0.157 -6.141 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.758 -1.941 -7.154 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.301 -1.335 -8.706 1.00 0.00 H new ATOM 896 N ARG A 67 8.819 -0.989 -7.014 1.00 0.00 N ATOM 897 CA ARG A 67 10.188 -1.403 -6.734 1.00 0.00 C ATOM 898 C ARG A 67 10.674 -0.816 -5.412 1.00 0.00 C ATOM 899 O ARG A 67 10.933 0.384 -5.310 1.00 0.00 O ATOM 900 CB ARG A 67 11.117 -0.968 -7.869 1.00 0.00 C ATOM 901 CG ARG A 67 10.711 -1.509 -9.230 1.00 0.00 C ATOM 902 CD ARG A 67 11.127 -2.962 -9.398 1.00 0.00 C ATOM 903 NE ARG A 67 12.555 -3.096 -9.671 1.00 0.00 N ATOM 904 CZ ARG A 67 13.125 -4.228 -10.066 1.00 0.00 C ATOM 905 NH1 ARG A 67 12.392 -5.320 -10.234 1.00 0.00 N ATOM 906 NH2 ARG A 67 14.432 -4.270 -10.295 1.00 0.00 N ATOM 0 H ARG A 67 8.652 0.012 -6.914 1.00 0.00 H new ATOM 0 HA ARG A 67 10.204 -2.490 -6.657 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.139 0.121 -7.912 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.131 -1.298 -7.644 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.631 -1.422 -9.350 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.168 -0.905 -10.014 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.878 -3.517 -8.494 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.559 -3.409 -10.214 1.00 0.00 H new ATOM 0 HE ARG A 67 13.147 -2.274 -9.552 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.387 -5.292 -10.060 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.833 -6.188 -10.538 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.999 -3.432 -10.167 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.869 -5.140 -10.598 1.00 0.00 H new ATOM 920 N CYS A 68 10.794 -1.669 -4.400 1.00 0.00 N ATOM 921 CA CYS A 68 11.247 -1.237 -3.084 1.00 0.00 C ATOM 922 C CYS A 68 12.724 -1.561 -2.883 1.00 0.00 C ATOM 923 O CYS A 68 13.223 -2.569 -3.384 1.00 0.00 O ATOM 924 CB CYS A 68 10.413 -1.906 -1.989 1.00 0.00 C ATOM 925 SG CYS A 68 10.772 -1.304 -0.308 1.00 0.00 S ATOM 0 H CYS A 68 10.583 -2.665 -4.467 1.00 0.00 H new ATOM 0 HA CYS A 68 11.119 -0.156 -3.020 1.00 0.00 H new ATOM 0 HB2 CYS A 68 9.356 -1.745 -2.203 1.00 0.00 H new ATOM 0 HB3 CYS A 68 10.585 -2.982 -2.022 1.00 0.00 H new ATOM 0 HG CYS A 68 9.726 -0.696 0.168 1.00 0.00 H new ATOM 930 N SER A 69 13.419 -0.700 -2.146 1.00 0.00 N ATOM 931 CA SER A 69 14.840 -0.892 -1.882 1.00 0.00 C ATOM 932 C SER A 69 15.069 -1.337 -0.440 1.00 0.00 C ATOM 933 O SER A 69 15.668 -2.382 -0.189 1.00 0.00 O ATOM 934 CB SER A 69 15.611 0.400 -2.158 1.00 0.00 C ATOM 935 OG SER A 69 15.949 0.508 -3.530 1.00 0.00 O ATOM 0 H SER A 69 13.021 0.137 -1.721 1.00 0.00 H new ATOM 0 HA SER A 69 15.206 -1.674 -2.548 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.008 1.258 -1.860 1.00 0.00 H new ATOM 0 HB3 SER A 69 16.518 0.422 -1.554 1.00 0.00 H new ATOM 0 HG SER A 69 16.440 1.343 -3.681 1.00 0.00 H new ATOM 941 N ARG A 70 14.587 -0.534 0.503 1.00 0.00 N ATOM 942 CA ARG A 70 14.740 -0.842 1.920 1.00 0.00 C ATOM 943 C ARG A 70 14.704 -2.350 2.155 1.00 0.00 C ATOM 944 O ARG A 70 13.678 -2.996 1.944 1.00 0.00 O ATOM 945 CB ARG A 70 13.637 -0.162 2.733 1.00 0.00 C ATOM 946 CG ARG A 70 13.700 1.356 2.695 1.00 0.00 C ATOM 947 CD ARG A 70 14.713 1.896 3.693 1.00 0.00 C ATOM 948 NE ARG A 70 15.056 3.290 3.424 1.00 0.00 N ATOM 949 CZ ARG A 70 15.840 3.674 2.423 1.00 0.00 C ATOM 950 NH1 ARG A 70 16.359 2.774 1.600 1.00 0.00 N ATOM 951 NH2 ARG A 70 16.106 4.962 2.243 1.00 0.00 N ATOM 0 H ARG A 70 14.087 0.334 0.312 1.00 0.00 H new ATOM 0 HA ARG A 70 15.709 -0.463 2.247 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.667 -0.486 2.356 1.00 0.00 H new ATOM 0 HB3 ARG A 70 13.704 -0.494 3.769 1.00 0.00 H new ATOM 0 HG2 ARG A 70 13.966 1.685 1.691 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.715 1.768 2.915 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.309 1.810 4.702 1.00 0.00 H new ATOM 0 HD3 ARG A 70 15.616 1.287 3.658 1.00 0.00 H new ATOM 0 HE ARG A 70 14.672 4.008 4.039 1.00 0.00 H new ATOM 0 HH11 ARG A 70 16.157 1.783 1.734 1.00 0.00 H new ATOM 0 HH12 ARG A 70 16.961 3.072 0.832 1.00 0.00 H new ATOM 0 HH21 ARG A 70 15.708 5.658 2.874 1.00 0.00 H new ATOM 0 HH22 ARG A 70 16.708 5.256 1.474 1.00 0.00 H new ATOM 965 N GLU A 71 15.831 -2.902 2.592 1.00 0.00 N ATOM 966 CA GLU A 71 15.928 -4.333 2.855 1.00 0.00 C ATOM 967 C GLU A 71 14.906 -4.765 3.902 1.00 0.00 C ATOM 968 O GLU A 71 13.929 -5.444 3.589 1.00 0.00 O ATOM 969 CB GLU A 71 17.339 -4.694 3.324 1.00 0.00 C ATOM 970 CG GLU A 71 18.365 -4.718 2.204 1.00 0.00 C ATOM 971 CD GLU A 71 19.791 -4.733 2.719 1.00 0.00 C ATOM 972 OE1 GLU A 71 20.132 -3.865 3.548 1.00 0.00 O ATOM 973 OE2 GLU A 71 20.566 -5.615 2.293 1.00 0.00 O ATOM 0 H GLU A 71 16.689 -2.381 2.771 1.00 0.00 H new ATOM 0 HA GLU A 71 15.716 -4.862 1.926 1.00 0.00 H new ATOM 0 HB2 GLU A 71 17.656 -3.976 4.080 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.314 -5.672 3.804 1.00 0.00 H new ATOM 0 HG2 GLU A 71 18.198 -5.598 1.582 1.00 0.00 H new ATOM 0 HG3 GLU A 71 18.222 -3.845 1.567 1.00 0.00 H new ATOM 980 N ASN A 72 15.140 -4.366 5.148 1.00 0.00 N ATOM 981 CA ASN A 72 14.241 -4.712 6.243 1.00 0.00 C ATOM 982 C ASN A 72 13.063 -3.745 6.307 1.00 0.00 C ATOM 983 O ASN A 72 12.605 -3.377 7.389 1.00 0.00 O ATOM 984 CB ASN A 72 14.996 -4.702 7.574 1.00 0.00 C ATOM 985 CG ASN A 72 15.666 -3.369 7.848 1.00 0.00 C ATOM 986 OD1 ASN A 72 16.568 -2.953 7.120 1.00 0.00 O ATOM 987 ND2 ASN A 72 15.226 -2.691 8.902 1.00 0.00 N ATOM 0 H ASN A 72 15.944 -3.803 5.425 1.00 0.00 H new ATOM 0 HA ASN A 72 13.855 -5.715 6.059 1.00 0.00 H new ATOM 0 HB2 ASN A 72 14.303 -4.931 8.384 1.00 0.00 H new ATOM 0 HB3 ASN A 72 15.749 -5.490 7.567 1.00 0.00 H new ATOM 0 HD21 ASN A 72 15.638 -1.788 9.136 1.00 0.00 H new ATOM 0 HD22 ASN A 72 14.476 -3.074 9.478 1.00 0.00 H new ATOM 994 N CYS A 73 12.577 -3.336 5.139 1.00 0.00 N ATOM 995 CA CYS A 73 11.452 -2.412 5.060 1.00 0.00 C ATOM 996 C CYS A 73 10.340 -2.825 6.020 1.00 0.00 C ATOM 997 O CYS A 73 9.693 -3.855 5.831 1.00 0.00 O ATOM 998 CB CYS A 73 10.912 -2.354 3.630 1.00 0.00 C ATOM 999 SG CYS A 73 9.606 -1.109 3.379 1.00 0.00 S ATOM 0 H CYS A 73 12.945 -3.630 4.234 1.00 0.00 H new ATOM 0 HA CYS A 73 11.806 -1.422 5.347 1.00 0.00 H new ATOM 0 HB2 CYS A 73 11.737 -2.142 2.950 1.00 0.00 H new ATOM 0 HB3 CYS A 73 10.521 -3.335 3.361 1.00 0.00 H new ATOM 0 HG CYS A 73 8.468 -1.707 3.184 1.00 0.00 H new ATOM 1004 N LYS A 74 10.123 -2.014 7.050 1.00 0.00 N ATOM 1005 CA LYS A 74 9.088 -2.293 8.039 1.00 0.00 C ATOM 1006 C LYS A 74 7.735 -1.766 7.573 1.00 0.00 C ATOM 1007 O LYS A 74 6.911 -1.341 8.384 1.00 0.00 O ATOM 1008 CB LYS A 74 9.457 -1.664 9.384 1.00 0.00 C ATOM 1009 CG LYS A 74 9.628 -0.156 9.324 1.00 0.00 C ATOM 1010 CD LYS A 74 10.356 0.372 10.549 1.00 0.00 C ATOM 1011 CE LYS A 74 11.865 0.306 10.372 1.00 0.00 C ATOM 1012 NZ LYS A 74 12.581 0.385 11.676 1.00 0.00 N ATOM 0 H LYS A 74 10.650 -1.158 7.222 1.00 0.00 H new ATOM 0 HA LYS A 74 9.015 -3.374 8.158 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.683 -1.905 10.113 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.383 -2.112 9.743 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.184 0.113 8.426 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.650 0.319 9.248 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.055 1.403 10.736 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.066 -0.209 11.425 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.131 -0.623 9.867 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.191 1.123 9.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.607 0.337 11.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.347 1.283 12.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 12.289 -0.409 12.281 1.00 0.00 H new ATOM 1026 N TYR A 75 7.511 -1.798 6.264 1.00 0.00 N ATOM 1027 CA TYR A 75 6.257 -1.322 5.692 1.00 0.00 C ATOM 1028 C TYR A 75 5.665 -2.358 4.741 1.00 0.00 C ATOM 1029 O TYR A 75 6.361 -2.896 3.879 1.00 0.00 O ATOM 1030 CB TYR A 75 6.479 -0.002 4.952 1.00 0.00 C ATOM 1031 CG TYR A 75 7.002 1.107 5.836 1.00 0.00 C ATOM 1032 CD1 TYR A 75 8.340 1.152 6.209 1.00 0.00 C ATOM 1033 CD2 TYR A 75 6.159 2.109 6.300 1.00 0.00 C ATOM 1034 CE1 TYR A 75 8.823 2.163 7.017 1.00 0.00 C ATOM 1035 CE2 TYR A 75 6.633 3.125 7.108 1.00 0.00 C ATOM 1036 CZ TYR A 75 7.966 3.147 7.464 1.00 0.00 C ATOM 1037 OH TYR A 75 8.442 4.157 8.269 1.00 0.00 O ATOM 0 H TYR A 75 8.181 -2.148 5.579 1.00 0.00 H new ATOM 0 HA TYR A 75 5.553 -1.160 6.508 1.00 0.00 H new ATOM 0 HB2 TYR A 75 7.182 -0.167 4.136 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.538 0.316 4.503 1.00 0.00 H new ATOM 0 HD1 TYR A 75 9.014 0.383 5.861 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.115 2.094 6.024 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.866 2.183 7.297 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.964 3.897 7.459 1.00 0.00 H new ATOM 0 HH TYR A 75 7.710 4.768 8.494 1.00 0.00 H new ATOM 1047 N LEU A 76 4.375 -2.631 4.903 1.00 0.00 N ATOM 1048 CA LEU A 76 3.687 -3.602 4.059 1.00 0.00 C ATOM 1049 C LEU A 76 3.408 -3.020 2.677 1.00 0.00 C ATOM 1050 O LEU A 76 3.178 -1.819 2.531 1.00 0.00 O ATOM 1051 CB LEU A 76 2.376 -4.038 4.715 1.00 0.00 C ATOM 1052 CG LEU A 76 1.347 -4.691 3.791 1.00 0.00 C ATOM 1053 CD1 LEU A 76 1.824 -6.065 3.347 1.00 0.00 C ATOM 1054 CD2 LEU A 76 -0.004 -4.791 4.483 1.00 0.00 C ATOM 0 H LEU A 76 3.785 -2.194 5.611 1.00 0.00 H new ATOM 0 HA LEU A 76 4.335 -4.471 3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.610 -4.738 5.517 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.917 -3.165 5.178 1.00 0.00 H new ATOM 0 HG LEU A 76 1.233 -4.065 2.906 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.079 -6.514 2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.768 -5.967 2.811 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.967 -6.700 4.221 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.724 -5.258 3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.093 -5.394 5.386 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.351 -3.793 4.749 1.00 0.00 H new ATOM 1066 N HIS A 77 3.427 -3.881 1.663 1.00 0.00 N ATOM 1067 CA HIS A 77 3.174 -3.453 0.292 1.00 0.00 C ATOM 1068 C HIS A 77 1.773 -3.861 -0.154 1.00 0.00 C ATOM 1069 O HIS A 77 1.536 -4.992 -0.581 1.00 0.00 O ATOM 1070 CB HIS A 77 4.217 -4.051 -0.652 1.00 0.00 C ATOM 1071 CG HIS A 77 5.628 -3.714 -0.277 1.00 0.00 C ATOM 1072 ND1 HIS A 77 6.156 -3.297 0.898 1.00 0.00 N flip ATOM 1073 CD2 HIS A 77 6.681 -3.789 -1.163 1.00 0.00 C flip ATOM 1074 CE1 HIS A 77 7.504 -3.131 0.702 1.00 0.00 C flip ATOM 1075 NE2 HIS A 77 7.796 -3.435 -0.550 1.00 0.00 N flip ATOM 0 H HIS A 77 3.615 -4.878 1.766 1.00 0.00 H new ATOM 0 HA HIS A 77 3.245 -2.366 0.257 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.103 -5.135 -0.667 1.00 0.00 H new ATOM 0 HB3 HIS A 77 4.024 -3.696 -1.665 1.00 0.00 H new ATOM 0 HD2 HIS A 77 6.606 -4.090 -2.197 1.00 0.00 H new ATOM 0 HE1 HIS A 77 8.211 -2.805 1.450 1.00 0.00 H new ATOM 0 HE2 HIS A 77 8.724 -3.402 -0.971 1.00 0.00 H new ATOM 1083 N PRO A 78 0.822 -2.921 -0.053 1.00 0.00 N ATOM 1084 CA PRO A 78 -0.572 -3.160 -0.441 1.00 0.00 C ATOM 1085 C PRO A 78 -0.736 -3.305 -1.950 1.00 0.00 C ATOM 1086 O PRO A 78 0.033 -2.754 -2.739 1.00 0.00 O ATOM 1087 CB PRO A 78 -1.299 -1.910 0.059 1.00 0.00 C ATOM 1088 CG PRO A 78 -0.251 -0.852 0.096 1.00 0.00 C ATOM 1089 CD PRO A 78 1.033 -1.553 0.447 1.00 0.00 C ATOM 0 HA PRO A 78 -0.958 -4.089 -0.023 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.117 -1.634 -0.607 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.733 -2.072 1.046 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.170 -0.349 -0.868 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.493 -0.088 0.835 1.00 0.00 H new ATOM 0 HD2 PRO A 78 1.892 -1.080 -0.028 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.216 -1.542 1.521 1.00 0.00 H new ATOM 1097 N PRO A 79 -1.763 -4.062 -2.365 1.00 0.00 N ATOM 1098 CA PRO A 79 -2.053 -4.296 -3.783 1.00 0.00 C ATOM 1099 C PRO A 79 -2.568 -3.043 -4.483 1.00 0.00 C ATOM 1100 O PRO A 79 -2.838 -2.027 -3.842 1.00 0.00 O ATOM 1101 CB PRO A 79 -3.139 -5.374 -3.750 1.00 0.00 C ATOM 1102 CG PRO A 79 -3.797 -5.208 -2.424 1.00 0.00 C ATOM 1103 CD PRO A 79 -2.720 -4.749 -1.481 1.00 0.00 C ATOM 0 HA PRO A 79 -1.162 -4.587 -4.339 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.851 -5.243 -4.565 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.711 -6.371 -3.858 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.605 -4.478 -2.478 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -4.237 -6.146 -2.087 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -3.114 -4.079 -0.717 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -2.257 -5.588 -0.961 1.00 0.00 H new ATOM 1111 N THR A 80 -2.701 -3.120 -5.803 1.00 0.00 N ATOM 1112 CA THR A 80 -3.182 -1.993 -6.591 1.00 0.00 C ATOM 1113 C THR A 80 -4.641 -1.684 -6.274 1.00 0.00 C ATOM 1114 O THR A 80 -5.036 -0.521 -6.188 1.00 0.00 O ATOM 1115 CB THR A 80 -3.042 -2.261 -8.101 1.00 0.00 C ATOM 1116 OG1 THR A 80 -1.760 -2.835 -8.379 1.00 0.00 O ATOM 1117 CG2 THR A 80 -3.212 -0.976 -8.897 1.00 0.00 C ATOM 0 H THR A 80 -2.482 -3.953 -6.350 1.00 0.00 H new ATOM 0 HA THR A 80 -2.565 -1.135 -6.324 1.00 0.00 H new ATOM 0 HB THR A 80 -3.825 -2.959 -8.398 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.679 -3.004 -9.341 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.109 -1.191 -9.961 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.200 -0.557 -8.705 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.449 -0.258 -8.596 1.00 0.00 H new ATOM 1125 N HIS A 81 -5.439 -2.733 -6.102 1.00 0.00 N ATOM 1126 CA HIS A 81 -6.856 -2.574 -5.794 1.00 0.00 C ATOM 1127 C HIS A 81 -7.044 -1.895 -4.440 1.00 0.00 C ATOM 1128 O HIS A 81 -8.104 -1.336 -4.156 1.00 0.00 O ATOM 1129 CB HIS A 81 -7.557 -3.932 -5.798 1.00 0.00 C ATOM 1130 CG HIS A 81 -7.102 -4.845 -4.701 1.00 0.00 C ATOM 1131 ND1 HIS A 81 -7.538 -4.984 -3.427 1.00 0.00 N flip ATOM 1132 CD2 HIS A 81 -6.075 -5.753 -4.854 1.00 0.00 C flip ATOM 1133 CE1 HIS A 81 -6.777 -5.965 -2.841 1.00 0.00 C flip ATOM 1134 NE2 HIS A 81 -5.902 -6.413 -3.723 1.00 0.00 N flip ATOM 0 H HIS A 81 -5.129 -3.702 -6.171 1.00 0.00 H new ATOM 0 HA HIS A 81 -7.301 -1.943 -6.563 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.632 -3.777 -5.708 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.385 -4.418 -6.758 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -8.292 -4.458 -2.985 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -5.502 -5.901 -5.757 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -6.878 -6.314 -1.824 1.00 0.00 H new ATOM 1142 N LEU A 82 -6.010 -1.949 -3.608 1.00 0.00 N ATOM 1143 CA LEU A 82 -6.062 -1.341 -2.283 1.00 0.00 C ATOM 1144 C LEU A 82 -5.439 0.051 -2.299 1.00 0.00 C ATOM 1145 O LEU A 82 -6.029 1.013 -1.806 1.00 0.00 O ATOM 1146 CB LEU A 82 -5.338 -2.225 -1.266 1.00 0.00 C ATOM 1147 CG LEU A 82 -6.127 -3.422 -0.736 1.00 0.00 C ATOM 1148 CD1 LEU A 82 -5.335 -4.149 0.340 1.00 0.00 C ATOM 1149 CD2 LEU A 82 -7.477 -2.975 -0.196 1.00 0.00 C ATOM 0 H LEU A 82 -5.126 -2.407 -3.827 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.109 -1.247 -1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.420 -2.594 -1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.045 -1.605 -0.419 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.299 -4.113 -1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.912 -4.998 0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.393 -4.504 -0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.131 -3.467 1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.024 -3.841 0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.327 -2.263 0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.049 -2.500 -0.993 1.00 0.00 H new ATOM 1161 N LYS A 83 -4.243 0.152 -2.870 1.00 0.00 N ATOM 1162 CA LYS A 83 -3.540 1.427 -2.954 1.00 0.00 C ATOM 1163 C LYS A 83 -4.492 2.547 -3.364 1.00 0.00 C ATOM 1164 O LYS A 83 -4.267 3.715 -3.043 1.00 0.00 O ATOM 1165 CB LYS A 83 -2.387 1.332 -3.955 1.00 0.00 C ATOM 1166 CG LYS A 83 -1.109 0.768 -3.359 1.00 0.00 C ATOM 1167 CD LYS A 83 0.000 0.683 -4.395 1.00 0.00 C ATOM 1168 CE LYS A 83 -0.001 -0.662 -5.104 1.00 0.00 C ATOM 1169 NZ LYS A 83 0.482 -0.549 -6.508 1.00 0.00 N ATOM 0 H LYS A 83 -3.740 -0.634 -3.282 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.138 1.658 -1.967 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.695 0.706 -4.792 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.183 2.324 -4.357 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.785 1.396 -2.529 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.304 -0.224 -2.951 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.123 1.481 -5.127 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.964 0.840 -3.911 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.632 -1.361 -4.557 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.010 -1.074 -5.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.466 -1.487 -6.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.137 0.098 -7.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.454 -0.179 -6.512 1.00 0.00 H new ATOM 1183 N THR A 84 -5.556 2.184 -4.073 1.00 0.00 N ATOM 1184 CA THR A 84 -6.541 3.158 -4.526 1.00 0.00 C ATOM 1185 C THR A 84 -7.223 3.839 -3.345 1.00 0.00 C ATOM 1186 O THR A 84 -7.444 5.050 -3.359 1.00 0.00 O ATOM 1187 CB THR A 84 -7.614 2.500 -5.414 1.00 0.00 C ATOM 1188 OG1 THR A 84 -6.990 1.760 -6.469 1.00 0.00 O ATOM 1189 CG2 THR A 84 -8.545 3.548 -6.005 1.00 0.00 C ATOM 0 H THR A 84 -5.758 1.222 -4.346 1.00 0.00 H new ATOM 0 HA THR A 84 -6.003 3.904 -5.111 1.00 0.00 H new ATOM 0 HB THR A 84 -8.202 1.823 -4.794 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.529 0.981 -6.094 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.294 3.059 -6.628 1.00 0.00 H new ATOM 0 HG22 THR A 84 -9.041 4.090 -5.200 1.00 0.00 H new ATOM 0 HG23 THR A 84 -7.968 4.247 -6.611 1.00 0.00 H new ATOM 1197 N GLN A 85 -7.554 3.054 -2.325 1.00 0.00 N ATOM 1198 CA GLN A 85 -8.211 3.584 -1.136 1.00 0.00 C ATOM 1199 C GLN A 85 -7.416 4.745 -0.546 1.00 0.00 C ATOM 1200 O GLN A 85 -7.966 5.594 0.157 1.00 0.00 O ATOM 1201 CB GLN A 85 -8.381 2.483 -0.088 1.00 0.00 C ATOM 1202 CG GLN A 85 -9.462 1.473 -0.437 1.00 0.00 C ATOM 1203 CD GLN A 85 -9.729 0.491 0.686 1.00 0.00 C ATOM 1204 OE1 GLN A 85 -10.848 0.394 1.190 1.00 0.00 O ATOM 1205 NE2 GLN A 85 -8.698 -0.246 1.086 1.00 0.00 N ATOM 0 H GLN A 85 -7.378 2.050 -2.298 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.194 3.952 -1.429 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.433 1.960 0.035 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.619 2.940 0.872 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.384 2.002 -0.678 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.166 0.924 -1.331 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.787 -0.133 0.641 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -8.817 -0.924 1.838 1.00 0.00 H new ATOM 1214 N LEU A 86 -6.120 4.775 -0.835 1.00 0.00 N ATOM 1215 CA LEU A 86 -5.249 5.832 -0.333 1.00 0.00 C ATOM 1216 C LEU A 86 -5.463 7.128 -1.108 1.00 0.00 C ATOM 1217 O LEU A 86 -5.810 8.157 -0.530 1.00 0.00 O ATOM 1218 CB LEU A 86 -3.784 5.402 -0.432 1.00 0.00 C ATOM 1219 CG LEU A 86 -3.348 4.283 0.515 1.00 0.00 C ATOM 1220 CD1 LEU A 86 -2.049 3.654 0.036 1.00 0.00 C ATOM 1221 CD2 LEU A 86 -3.194 4.814 1.933 1.00 0.00 C ATOM 0 H LEU A 86 -5.649 4.080 -1.414 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.500 6.010 0.713 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.588 5.082 -1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.157 6.274 -0.246 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.121 3.514 0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.754 2.860 0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.192 3.237 -0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.268 4.413 0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.883 4.004 2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.441 5.602 1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.147 5.217 2.276 1.00 0.00 H new