USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 425 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 50 HIS : no HD1:sc= -6.38! C(o=-8.3!,f=-11!) USER MOD Set 1.2: A 60 SER OG : rot -110:sc= -0.787 USER MOD Set 1.3: A 69 TYR OH : rot 180:sc= -1.18 USER MOD Set 2.1: A 68 SER OG : rot -68:sc= 0.188 USER MOD Set 2.2: A 70 GLN : amide:sc= -2.96! C(o=-2.8!,f=-5.8!) USER MOD Set 3.1: A 37 CYS SG : rot 101:sc= 0.947 USER MOD Set 3.2: A 39 HIS : no HD1:sc= -0.763 K(o=1.1,f=-2.9) USER MOD Set 3.3: A 62 CYS SG : rot 147:sc= 0.887 USER MOD Set 3.4: A 65 CYS SG : rot -45:sc= 0.059 USER MOD Set 4.1: A 22 CYS SG : rot 93:sc= 0.497! USER MOD Set 4.2: A 25 CYS SG : rot -55:sc= -0.697 USER MOD Set 4.3: A 42 CYS SG : rot 83:sc= -0.646 USER MOD Set 4.4: A 45 CYS SG : rot 125:sc= -1.02 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.0329 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.192 X(o=-0.19,f=0) USER MOD Single : A 47 THR OG1 : rot 93:sc= 0.0332 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0454) USER MOD Single : A 52 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.106) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= -4.83! (180deg=-4.83!) USER MOD Single : A 57 LYS NZ :NH3+ -157:sc=-0.00204 (180deg=-0.477) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -1.39! C(o=-1.4!,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 232 N GLU A 19 -5.014 -8.796 -26.653 1.00 0.00 N ATOM 233 CA GLU A 19 -5.956 -8.063 -27.492 1.00 0.00 C ATOM 234 C GLU A 19 -6.277 -6.700 -26.887 1.00 0.00 C ATOM 235 O GLU A 19 -6.137 -5.668 -27.543 1.00 0.00 O ATOM 236 CB GLU A 19 -7.244 -8.869 -27.675 1.00 0.00 C ATOM 237 CG GLU A 19 -7.880 -9.304 -26.365 1.00 0.00 C ATOM 238 CD GLU A 19 -8.914 -10.397 -26.554 1.00 0.00 C ATOM 239 OE1 GLU A 19 -8.516 -11.571 -26.706 1.00 0.00 O ATOM 240 OE2 GLU A 19 -10.121 -10.078 -26.550 1.00 0.00 O ATOM 0 HA GLU A 19 -5.492 -7.908 -28.466 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.961 -8.270 -28.236 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.028 -9.753 -28.275 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.103 -9.657 -25.688 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.350 -8.443 -25.890 1.00 0.00 H new ATOM 247 N VAL A 20 -6.709 -6.704 -25.629 1.00 0.00 N ATOM 248 CA VAL A 20 -7.050 -5.469 -24.934 1.00 0.00 C ATOM 249 C VAL A 20 -5.961 -5.078 -23.941 1.00 0.00 C ATOM 250 O VAL A 20 -5.651 -5.828 -23.015 1.00 0.00 O ATOM 251 CB VAL A 20 -8.390 -5.597 -24.185 1.00 0.00 C ATOM 252 CG1 VAL A 20 -8.870 -4.234 -23.711 1.00 0.00 C ATOM 253 CG2 VAL A 20 -9.433 -6.261 -25.072 1.00 0.00 C ATOM 0 H VAL A 20 -6.831 -7.549 -25.071 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.140 -4.693 -25.694 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.238 -6.226 -23.308 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.818 -4.345 -23.184 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.130 -3.801 -23.038 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.007 -3.578 -24.570 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.374 -6.344 -24.528 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.584 -5.660 -25.969 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.089 -7.256 -25.356 1.00 0.00 H new ATOM 263 N THR A 21 -5.381 -3.898 -24.140 1.00 0.00 N ATOM 264 CA THR A 21 -4.326 -3.407 -23.263 1.00 0.00 C ATOM 265 C THR A 21 -4.717 -2.081 -22.621 1.00 0.00 C ATOM 266 O THR A 21 -5.362 -1.242 -23.249 1.00 0.00 O ATOM 267 CB THR A 21 -3.001 -3.224 -24.027 1.00 0.00 C ATOM 268 OG1 THR A 21 -2.747 -4.367 -24.850 1.00 0.00 O ATOM 269 CG2 THR A 21 -1.843 -3.021 -23.061 1.00 0.00 C ATOM 0 H THR A 21 -5.625 -3.265 -24.902 1.00 0.00 H new ATOM 0 HA THR A 21 -4.187 -4.157 -22.484 1.00 0.00 H new ATOM 0 HB THR A 21 -3.090 -2.338 -24.655 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.904 -4.241 -25.333 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.918 -2.894 -23.623 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.025 -2.132 -22.456 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.755 -3.891 -22.410 1.00 0.00 H new ATOM 277 N CYS A 22 -4.322 -1.898 -21.365 1.00 0.00 N ATOM 278 CA CYS A 22 -4.631 -0.674 -20.637 1.00 0.00 C ATOM 279 C CYS A 22 -3.771 0.485 -21.132 1.00 0.00 C ATOM 280 O CYS A 22 -2.543 0.410 -21.165 1.00 0.00 O ATOM 281 CB CYS A 22 -4.414 -0.880 -19.136 1.00 0.00 C ATOM 282 SG CYS A 22 -4.830 0.573 -18.119 1.00 0.00 S ATOM 0 H CYS A 22 -3.787 -2.583 -20.831 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.678 -0.429 -20.816 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.016 -1.726 -18.805 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.371 -1.144 -18.963 1.00 0.00 H new ATOM 0 HG CYS A 22 -6.062 0.482 -17.715 1.00 0.00 H new ATOM 287 N PRO A 23 -4.430 1.585 -21.527 1.00 0.00 N ATOM 288 CA PRO A 23 -3.746 2.781 -22.027 1.00 0.00 C ATOM 289 C PRO A 23 -2.983 3.514 -20.929 1.00 0.00 C ATOM 290 O PRO A 23 -2.347 4.538 -21.180 1.00 0.00 O ATOM 291 CB PRO A 23 -4.891 3.650 -22.554 1.00 0.00 C ATOM 292 CG PRO A 23 -6.086 3.212 -21.779 1.00 0.00 C ATOM 293 CD PRO A 23 -5.894 1.745 -21.515 1.00 0.00 C ATOM 0 HA PRO A 23 -2.996 2.537 -22.780 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.687 4.710 -22.401 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -5.038 3.505 -23.624 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.171 3.768 -20.846 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.003 3.391 -22.341 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.323 1.450 -20.557 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.371 1.133 -22.280 1.00 0.00 H new ATOM 301 N ILE A 24 -3.052 2.984 -19.712 1.00 0.00 N ATOM 302 CA ILE A 24 -2.366 3.587 -18.577 1.00 0.00 C ATOM 303 C ILE A 24 -1.119 2.793 -18.202 1.00 0.00 C ATOM 304 O ILE A 24 0.006 3.240 -18.429 1.00 0.00 O ATOM 305 CB ILE A 24 -3.288 3.683 -17.347 1.00 0.00 C ATOM 306 CG1 ILE A 24 -4.303 4.813 -17.530 1.00 0.00 C ATOM 307 CG2 ILE A 24 -2.468 3.900 -16.085 1.00 0.00 C ATOM 308 CD1 ILE A 24 -5.621 4.561 -16.831 1.00 0.00 C ATOM 0 H ILE A 24 -3.576 2.138 -19.487 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.076 4.592 -18.883 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.832 2.744 -17.246 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.873 5.741 -17.153 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.487 4.956 -18.595 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.134 3.966 -15.225 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.781 3.064 -15.949 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.900 4.826 -16.175 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.291 5.403 -17.004 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.073 3.650 -17.224 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.449 4.448 -15.761 1.00 0.00 H new ATOM 320 N CYS A 25 -1.326 1.613 -17.629 1.00 0.00 N ATOM 321 CA CYS A 25 -0.220 0.754 -17.224 1.00 0.00 C ATOM 322 C CYS A 25 0.379 0.033 -18.428 1.00 0.00 C ATOM 323 O CYS A 25 1.527 -0.412 -18.392 1.00 0.00 O ATOM 324 CB CYS A 25 -0.692 -0.267 -16.187 1.00 0.00 C ATOM 325 SG CYS A 25 -2.125 -1.259 -16.720 1.00 0.00 S ATOM 0 H CYS A 25 -2.251 1.229 -17.434 1.00 0.00 H new ATOM 0 HA CYS A 25 0.551 1.383 -16.779 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.134 -0.938 -15.951 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.949 0.258 -15.267 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.095 -0.467 -17.070 1.00 0.00 H new ATOM 330 N LEU A 26 -0.407 -0.079 -19.494 1.00 0.00 N ATOM 331 CA LEU A 26 0.044 -0.746 -20.710 1.00 0.00 C ATOM 332 C LEU A 26 0.529 -2.160 -20.408 1.00 0.00 C ATOM 333 O LEU A 26 1.538 -2.609 -20.952 1.00 0.00 O ATOM 334 CB LEU A 26 1.164 0.059 -21.371 1.00 0.00 C ATOM 335 CG LEU A 26 0.943 1.570 -21.460 1.00 0.00 C ATOM 336 CD1 LEU A 26 2.207 2.268 -21.937 1.00 0.00 C ATOM 337 CD2 LEU A 26 -0.224 1.884 -22.386 1.00 0.00 C ATOM 0 H LEU A 26 -1.359 0.284 -19.540 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.802 -0.810 -21.394 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.087 -0.121 -20.820 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.314 -0.326 -22.380 1.00 0.00 H new ATOM 0 HG LEU A 26 0.702 1.942 -20.464 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.030 3.342 -21.994 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.018 2.070 -21.236 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.480 1.892 -22.923 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.367 2.963 -22.438 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.011 1.498 -23.383 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.130 1.416 -22.001 1.00 0.00 H new ATOM 349 N GLU A 27 -0.197 -2.857 -19.540 1.00 0.00 N ATOM 350 CA GLU A 27 0.160 -4.220 -19.167 1.00 0.00 C ATOM 351 C GLU A 27 -0.816 -5.223 -19.777 1.00 0.00 C ATOM 352 O GLU A 27 -0.459 -5.985 -20.677 1.00 0.00 O ATOM 353 CB GLU A 27 0.176 -4.369 -17.644 1.00 0.00 C ATOM 354 CG GLU A 27 1.389 -3.737 -16.984 1.00 0.00 C ATOM 355 CD GLU A 27 2.547 -4.706 -16.841 1.00 0.00 C ATOM 356 OE1 GLU A 27 3.303 -4.877 -17.820 1.00 0.00 O ATOM 357 OE2 GLU A 27 2.697 -5.293 -15.749 1.00 0.00 O ATOM 0 H GLU A 27 -1.036 -2.500 -19.082 1.00 0.00 H new ATOM 0 HA GLU A 27 1.158 -4.426 -19.555 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.727 -3.917 -17.234 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.146 -5.429 -17.391 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.710 -2.877 -17.571 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.109 -3.364 -15.999 1.00 0.00 H new ATOM 364 N LEU A 28 -2.048 -5.218 -19.280 1.00 0.00 N ATOM 365 CA LEU A 28 -3.076 -6.128 -19.774 1.00 0.00 C ATOM 366 C LEU A 28 -4.452 -5.729 -19.252 1.00 0.00 C ATOM 367 O LEU A 28 -4.585 -5.243 -18.128 1.00 0.00 O ATOM 368 CB LEU A 28 -2.757 -7.565 -19.358 1.00 0.00 C ATOM 369 CG LEU A 28 -3.910 -8.564 -19.456 1.00 0.00 C ATOM 370 CD1 LEU A 28 -4.526 -8.532 -20.846 1.00 0.00 C ATOM 371 CD2 LEU A 28 -3.430 -9.967 -19.116 1.00 0.00 C ATOM 0 H LEU A 28 -2.359 -4.594 -18.536 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.088 -6.066 -20.862 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.936 -7.927 -19.976 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.400 -7.553 -18.328 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.676 -8.279 -18.734 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.345 -9.249 -20.898 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.906 -7.532 -21.053 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.769 -8.792 -21.586 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.264 -10.665 -19.191 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.646 -10.262 -19.813 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.036 -9.980 -18.100 1.00 0.00 H new ATOM 383 N LEU A 29 -5.475 -5.939 -20.074 1.00 0.00 N ATOM 384 CA LEU A 29 -6.843 -5.604 -19.694 1.00 0.00 C ATOM 385 C LEU A 29 -7.770 -6.800 -19.885 1.00 0.00 C ATOM 386 O LEU A 29 -8.331 -7.000 -20.963 1.00 0.00 O ATOM 387 CB LEU A 29 -7.345 -4.418 -20.519 1.00 0.00 C ATOM 388 CG LEU A 29 -6.997 -3.030 -19.981 1.00 0.00 C ATOM 389 CD1 LEU A 29 -7.797 -1.960 -20.706 1.00 0.00 C ATOM 390 CD2 LEU A 29 -7.248 -2.961 -18.481 1.00 0.00 C ATOM 0 H LEU A 29 -5.383 -6.340 -21.008 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.845 -5.332 -18.638 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.941 -4.506 -21.528 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.429 -4.492 -20.602 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.938 -2.847 -20.161 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.536 -0.979 -20.309 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.568 -1.994 -21.771 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.862 -2.139 -20.558 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.995 -1.966 -18.115 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.299 -3.166 -18.278 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.630 -3.702 -17.974 1.00 0.00 H new ATOM 402 N THR A 30 -7.928 -7.594 -18.831 1.00 0.00 N ATOM 403 CA THR A 30 -8.788 -8.770 -18.881 1.00 0.00 C ATOM 404 C THR A 30 -10.176 -8.460 -18.334 1.00 0.00 C ATOM 405 O THR A 30 -11.176 -8.990 -18.817 1.00 0.00 O ATOM 406 CB THR A 30 -8.184 -9.942 -18.085 1.00 0.00 C ATOM 407 OG1 THR A 30 -9.140 -11.002 -17.973 1.00 0.00 O ATOM 408 CG2 THR A 30 -7.757 -9.490 -16.697 1.00 0.00 C ATOM 0 H THR A 30 -7.471 -7.444 -17.931 1.00 0.00 H new ATOM 0 HA THR A 30 -8.870 -9.057 -19.929 1.00 0.00 H new ATOM 0 HB THR A 30 -7.305 -10.301 -18.620 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.748 -11.744 -17.467 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.334 -10.335 -16.154 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.008 -8.703 -16.785 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.623 -9.108 -16.156 1.00 0.00 H new ATOM 416 N GLN A 31 -10.230 -7.598 -17.323 1.00 0.00 N ATOM 417 CA GLN A 31 -11.497 -7.218 -16.711 1.00 0.00 C ATOM 418 C GLN A 31 -11.569 -5.710 -16.499 1.00 0.00 C ATOM 419 O GLN A 31 -11.836 -5.225 -15.399 1.00 0.00 O ATOM 420 CB GLN A 31 -11.680 -7.942 -15.375 1.00 0.00 C ATOM 421 CG GLN A 31 -12.145 -9.382 -15.522 1.00 0.00 C ATOM 422 CD GLN A 31 -12.289 -10.087 -14.188 1.00 0.00 C ATOM 423 OE1 GLN A 31 -13.249 -9.858 -13.452 1.00 0.00 O ATOM 424 NE2 GLN A 31 -11.333 -10.952 -13.869 1.00 0.00 N ATOM 0 H GLN A 31 -9.411 -7.150 -16.911 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.300 -7.510 -17.388 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.735 -7.928 -14.831 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.404 -7.395 -14.771 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -13.102 -9.399 -16.043 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -11.434 -9.928 -16.142 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.555 -11.111 -14.509 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.377 -11.457 -12.984 1.00 0.00 H new ATOM 433 N PRO A 32 -11.326 -4.948 -17.576 1.00 0.00 N ATOM 434 CA PRO A 32 -11.357 -3.483 -17.534 1.00 0.00 C ATOM 435 C PRO A 32 -12.769 -2.939 -17.346 1.00 0.00 C ATOM 436 O PRO A 32 -13.722 -3.701 -17.179 1.00 0.00 O ATOM 437 CB PRO A 32 -10.804 -3.077 -18.902 1.00 0.00 C ATOM 438 CG PRO A 32 -11.099 -4.237 -19.789 1.00 0.00 C ATOM 439 CD PRO A 32 -11.002 -5.459 -18.919 1.00 0.00 C ATOM 0 HA PRO A 32 -10.786 -3.087 -16.694 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.281 -2.168 -19.268 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.733 -2.878 -18.853 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -12.092 -4.149 -20.229 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.388 -4.288 -20.614 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -11.702 -6.233 -19.234 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -10.005 -5.898 -18.952 1.00 0.00 H new ATOM 447 N LEU A 33 -12.897 -1.617 -17.376 1.00 0.00 N ATOM 448 CA LEU A 33 -14.194 -0.970 -17.210 1.00 0.00 C ATOM 449 C LEU A 33 -14.687 -0.390 -18.532 1.00 0.00 C ATOM 450 O LEU A 33 -13.928 -0.284 -19.495 1.00 0.00 O ATOM 451 CB LEU A 33 -14.104 0.136 -16.157 1.00 0.00 C ATOM 452 CG LEU A 33 -13.713 -0.310 -14.747 1.00 0.00 C ATOM 453 CD1 LEU A 33 -13.747 0.869 -13.787 1.00 0.00 C ATOM 454 CD2 LEU A 33 -14.633 -1.421 -14.264 1.00 0.00 C ATOM 0 H LEU A 33 -12.119 -0.972 -17.514 1.00 0.00 H new ATOM 0 HA LEU A 33 -14.907 -1.723 -16.876 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -13.379 0.875 -16.497 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -15.070 0.638 -16.103 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.695 -0.698 -14.778 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -13.466 0.534 -12.789 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.046 1.633 -14.124 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -14.753 1.287 -13.760 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -14.340 -1.725 -13.259 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -15.662 -1.061 -14.248 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.558 -2.274 -14.938 1.00 0.00 H new ATOM 466 N SER A 34 -15.962 -0.016 -18.569 1.00 0.00 N ATOM 467 CA SER A 34 -16.556 0.552 -19.774 1.00 0.00 C ATOM 468 C SER A 34 -16.909 2.022 -19.565 1.00 0.00 C ATOM 469 O SER A 34 -17.086 2.475 -18.433 1.00 0.00 O ATOM 470 CB SER A 34 -17.808 -0.233 -20.169 1.00 0.00 C ATOM 471 OG SER A 34 -18.444 0.352 -21.292 1.00 0.00 O ATOM 0 H SER A 34 -16.603 -0.096 -17.780 1.00 0.00 H new ATOM 0 HA SER A 34 -15.823 0.483 -20.578 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.538 -1.264 -20.397 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.502 -0.263 -19.329 1.00 0.00 H new ATOM 0 HG SER A 34 -19.240 -0.169 -21.525 1.00 0.00 H new ATOM 477 N LEU A 35 -17.009 2.762 -20.663 1.00 0.00 N ATOM 478 CA LEU A 35 -17.340 4.181 -20.602 1.00 0.00 C ATOM 479 C LEU A 35 -18.355 4.550 -21.680 1.00 0.00 C ATOM 480 O LEU A 35 -18.844 3.686 -22.408 1.00 0.00 O ATOM 481 CB LEU A 35 -16.077 5.028 -20.764 1.00 0.00 C ATOM 482 CG LEU A 35 -14.931 4.715 -19.801 1.00 0.00 C ATOM 483 CD1 LEU A 35 -13.637 5.348 -20.287 1.00 0.00 C ATOM 484 CD2 LEU A 35 -15.269 5.196 -18.397 1.00 0.00 C ATOM 0 H LEU A 35 -16.866 2.403 -21.607 1.00 0.00 H new ATOM 0 HA LEU A 35 -17.783 4.383 -19.627 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -15.711 4.908 -21.784 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -16.349 6.077 -20.645 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.792 3.634 -19.770 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.833 5.114 -19.589 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.387 4.955 -21.273 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.761 6.429 -20.348 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.443 4.965 -17.725 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.435 6.273 -18.412 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.172 4.694 -18.048 1.00 0.00 H new ATOM 496 N ASP A 36 -18.666 5.838 -21.776 1.00 0.00 N ATOM 497 CA ASP A 36 -19.620 6.322 -22.767 1.00 0.00 C ATOM 498 C ASP A 36 -18.899 6.988 -23.935 1.00 0.00 C ATOM 499 O ASP A 36 -19.478 7.805 -24.652 1.00 0.00 O ATOM 500 CB ASP A 36 -20.597 7.308 -22.126 1.00 0.00 C ATOM 501 CG ASP A 36 -21.631 7.821 -23.109 1.00 0.00 C ATOM 502 OD1 ASP A 36 -22.089 7.027 -23.957 1.00 0.00 O ATOM 503 OD2 ASP A 36 -21.982 9.017 -23.031 1.00 0.00 O ATOM 0 H ASP A 36 -18.271 6.566 -21.180 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.177 5.466 -23.148 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -21.103 6.823 -21.291 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -20.041 8.151 -21.715 1.00 0.00 H new ATOM 508 N CYS A 37 -17.631 6.636 -24.120 1.00 0.00 N ATOM 509 CA CYS A 37 -16.830 7.199 -25.200 1.00 0.00 C ATOM 510 C CYS A 37 -16.314 6.101 -26.125 1.00 0.00 C ATOM 511 O CYS A 37 -16.268 6.272 -27.343 1.00 0.00 O ATOM 512 CB CYS A 37 -15.654 7.994 -24.629 1.00 0.00 C ATOM 513 SG CYS A 37 -14.418 6.973 -23.762 1.00 0.00 S ATOM 0 H CYS A 37 -17.136 5.963 -23.535 1.00 0.00 H new ATOM 0 HA CYS A 37 -17.466 7.868 -25.779 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -15.162 8.529 -25.441 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -16.038 8.745 -23.939 1.00 0.00 H new ATOM 0 HG CYS A 37 -13.400 6.766 -24.544 1.00 0.00 H new ATOM 518 N GLY A 38 -15.928 4.972 -25.538 1.00 0.00 N ATOM 519 CA GLY A 38 -15.421 3.863 -26.324 1.00 0.00 C ATOM 520 C GLY A 38 -14.010 3.471 -25.932 1.00 0.00 C ATOM 521 O GLY A 38 -13.165 3.225 -26.793 1.00 0.00 O ATOM 0 H GLY A 38 -15.958 4.806 -24.532 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -16.081 3.004 -26.202 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.440 4.132 -27.380 1.00 0.00 H new ATOM 525 N HIS A 39 -13.753 3.416 -24.629 1.00 0.00 N ATOM 526 CA HIS A 39 -12.434 3.052 -24.125 1.00 0.00 C ATOM 527 C HIS A 39 -12.542 2.350 -22.775 1.00 0.00 C ATOM 528 O HIS A 39 -13.386 2.698 -21.950 1.00 0.00 O ATOM 529 CB HIS A 39 -11.554 4.296 -23.997 1.00 0.00 C ATOM 530 CG HIS A 39 -11.311 4.995 -25.299 1.00 0.00 C ATOM 531 ND1 HIS A 39 -11.699 6.296 -25.539 1.00 0.00 N ATOM 532 CD2 HIS A 39 -10.713 4.566 -26.436 1.00 0.00 C ATOM 533 CE1 HIS A 39 -11.352 6.637 -26.767 1.00 0.00 C ATOM 534 NE2 HIS A 39 -10.752 5.605 -27.333 1.00 0.00 N ATOM 0 H HIS A 39 -14.441 3.619 -23.903 1.00 0.00 H new ATOM 0 HA HIS A 39 -11.978 2.364 -24.836 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -12.023 4.993 -23.302 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.596 4.010 -23.563 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.285 3.589 -26.606 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.529 7.597 -27.230 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -10.378 5.583 -28.282 1.00 0.00 H new ATOM 542 N SER A 40 -11.683 1.359 -22.558 1.00 0.00 N ATOM 543 CA SER A 40 -11.686 0.605 -21.310 1.00 0.00 C ATOM 544 C SER A 40 -10.437 0.910 -20.489 1.00 0.00 C ATOM 545 O SER A 40 -9.431 1.382 -21.019 1.00 0.00 O ATOM 546 CB SER A 40 -11.767 -0.896 -21.597 1.00 0.00 C ATOM 547 OG SER A 40 -12.456 -1.146 -22.810 1.00 0.00 O ATOM 0 H SER A 40 -10.976 1.060 -23.230 1.00 0.00 H new ATOM 0 HA SER A 40 -12.561 0.906 -20.734 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.762 -1.314 -21.653 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.276 -1.400 -20.775 1.00 0.00 H new ATOM 0 HG SER A 40 -12.493 -2.112 -22.972 1.00 0.00 H new ATOM 553 N PHE A 41 -10.509 0.637 -19.190 1.00 0.00 N ATOM 554 CA PHE A 41 -9.386 0.882 -18.293 1.00 0.00 C ATOM 555 C PHE A 41 -9.463 -0.021 -17.065 1.00 0.00 C ATOM 556 O PHE A 41 -10.421 -0.775 -16.894 1.00 0.00 O ATOM 557 CB PHE A 41 -9.362 2.350 -17.861 1.00 0.00 C ATOM 558 CG PHE A 41 -9.378 3.314 -19.012 1.00 0.00 C ATOM 559 CD1 PHE A 41 -10.559 3.598 -19.679 1.00 0.00 C ATOM 560 CD2 PHE A 41 -8.213 3.938 -19.427 1.00 0.00 C ATOM 561 CE1 PHE A 41 -10.577 4.484 -20.739 1.00 0.00 C ATOM 562 CE2 PHE A 41 -8.224 4.826 -20.486 1.00 0.00 C ATOM 563 CZ PHE A 41 -9.408 5.100 -21.142 1.00 0.00 C ATOM 0 H PHE A 41 -11.334 0.246 -18.735 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.466 0.654 -18.832 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.222 2.546 -17.221 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.470 2.529 -17.260 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -11.476 3.121 -19.367 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -7.285 3.728 -18.917 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -11.504 4.695 -21.252 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -7.308 5.305 -20.800 1.00 0.00 H new ATOM 0 HZ PHE A 41 -9.420 5.795 -21.969 1.00 0.00 H new ATOM 573 N CYS A 42 -8.446 0.062 -16.214 1.00 0.00 N ATOM 574 CA CYS A 42 -8.396 -0.747 -15.002 1.00 0.00 C ATOM 575 C CYS A 42 -9.190 -0.091 -13.876 1.00 0.00 C ATOM 576 O CYS A 42 -9.056 1.107 -13.627 1.00 0.00 O ATOM 577 CB CYS A 42 -6.945 -0.956 -14.563 1.00 0.00 C ATOM 578 SG CYS A 42 -5.925 -1.857 -15.774 1.00 0.00 S ATOM 0 H CYS A 42 -7.645 0.681 -16.341 1.00 0.00 H new ATOM 0 HA CYS A 42 -8.845 -1.715 -15.223 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -6.490 0.016 -14.373 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -6.937 -1.502 -13.619 1.00 0.00 H new ATOM 0 HG CYS A 42 -5.486 -1.028 -16.674 1.00 0.00 H new ATOM 583 N GLN A 43 -10.015 -0.884 -13.201 1.00 0.00 N ATOM 584 CA GLN A 43 -10.831 -0.379 -12.102 1.00 0.00 C ATOM 585 C GLN A 43 -9.983 0.418 -11.117 1.00 0.00 C ATOM 586 O GLN A 43 -10.508 1.188 -10.313 1.00 0.00 O ATOM 587 CB GLN A 43 -11.521 -1.537 -11.379 1.00 0.00 C ATOM 588 CG GLN A 43 -12.351 -1.098 -10.183 1.00 0.00 C ATOM 589 CD GLN A 43 -13.510 -2.034 -9.901 1.00 0.00 C ATOM 590 OE1 GLN A 43 -14.604 -1.597 -9.544 1.00 0.00 O ATOM 591 NE2 GLN A 43 -13.275 -3.331 -10.061 1.00 0.00 N ATOM 0 H GLN A 43 -10.137 -1.878 -13.395 1.00 0.00 H new ATOM 0 HA GLN A 43 -11.589 0.284 -12.519 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -12.165 -2.063 -12.084 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.765 -2.248 -11.045 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.711 -1.043 -9.302 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -12.735 -0.094 -10.361 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -12.353 -3.649 -10.359 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -14.017 -4.009 -9.886 1.00 0.00 H new ATOM 600 N ALA A 44 -8.669 0.228 -11.185 1.00 0.00 N ATOM 601 CA ALA A 44 -7.749 0.931 -10.300 1.00 0.00 C ATOM 602 C ALA A 44 -7.110 2.122 -11.006 1.00 0.00 C ATOM 603 O ALA A 44 -7.176 3.253 -10.522 1.00 0.00 O ATOM 604 CB ALA A 44 -6.676 -0.020 -9.790 1.00 0.00 C ATOM 0 H ALA A 44 -8.218 -0.407 -11.844 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.319 1.308 -9.451 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.996 0.519 -9.130 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.145 -0.836 -9.240 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.118 -0.425 -10.634 1.00 0.00 H new ATOM 610 N CYS A 45 -6.491 1.862 -12.153 1.00 0.00 N ATOM 611 CA CYS A 45 -5.839 2.912 -12.926 1.00 0.00 C ATOM 612 C CYS A 45 -6.757 4.119 -13.087 1.00 0.00 C ATOM 613 O CYS A 45 -6.314 5.266 -13.010 1.00 0.00 O ATOM 614 CB CYS A 45 -5.429 2.382 -14.301 1.00 0.00 C ATOM 615 SG CYS A 45 -4.136 1.099 -14.249 1.00 0.00 S ATOM 0 H CYS A 45 -6.427 0.932 -12.568 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.947 3.226 -12.384 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.309 1.975 -14.799 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.075 3.215 -14.909 1.00 0.00 H new ATOM 0 HG CYS A 45 -4.550 0.040 -14.879 1.00 0.00 H new ATOM 620 N LEU A 46 -8.040 3.854 -13.310 1.00 0.00 N ATOM 621 CA LEU A 46 -9.023 4.919 -13.482 1.00 0.00 C ATOM 622 C LEU A 46 -9.127 5.772 -12.222 1.00 0.00 C ATOM 623 O LEU A 46 -9.129 7.001 -12.289 1.00 0.00 O ATOM 624 CB LEU A 46 -10.390 4.326 -13.825 1.00 0.00 C ATOM 625 CG LEU A 46 -10.717 4.211 -15.315 1.00 0.00 C ATOM 626 CD1 LEU A 46 -11.791 3.159 -15.546 1.00 0.00 C ATOM 627 CD2 LEU A 46 -11.158 5.557 -15.870 1.00 0.00 C ATOM 0 H LEU A 46 -8.424 2.911 -13.376 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.694 5.556 -14.303 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.454 3.332 -13.382 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.158 4.937 -13.351 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.815 3.901 -15.842 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -12.011 3.091 -16.611 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.437 2.193 -15.186 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.696 3.438 -15.006 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.386 5.456 -16.931 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -12.047 5.896 -15.338 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.357 6.285 -15.739 1.00 0.00 H new ATOM 639 N THR A 47 -9.213 5.111 -11.071 1.00 0.00 N ATOM 640 CA THR A 47 -9.316 5.808 -9.795 1.00 0.00 C ATOM 641 C THR A 47 -8.073 6.647 -9.525 1.00 0.00 C ATOM 642 O THR A 47 -8.170 7.829 -9.197 1.00 0.00 O ATOM 643 CB THR A 47 -9.519 4.820 -8.631 1.00 0.00 C ATOM 644 OG1 THR A 47 -10.734 4.086 -8.817 1.00 0.00 O ATOM 645 CG2 THR A 47 -9.563 5.555 -7.300 1.00 0.00 C ATOM 0 H THR A 47 -9.213 4.094 -10.997 1.00 0.00 H new ATOM 0 HA THR A 47 -10.185 6.463 -9.861 1.00 0.00 H new ATOM 0 HB THR A 47 -8.676 4.129 -8.619 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.541 3.249 -9.289 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.707 4.837 -6.493 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.625 6.089 -7.148 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.389 6.267 -7.304 1.00 0.00 H new ATOM 653 N ALA A 48 -6.905 6.028 -9.665 1.00 0.00 N ATOM 654 CA ALA A 48 -5.642 6.720 -9.438 1.00 0.00 C ATOM 655 C ALA A 48 -5.477 7.891 -10.401 1.00 0.00 C ATOM 656 O ALA A 48 -5.254 9.025 -9.981 1.00 0.00 O ATOM 657 CB ALA A 48 -4.477 5.751 -9.577 1.00 0.00 C ATOM 0 H ALA A 48 -6.807 5.049 -9.934 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.651 7.117 -8.423 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.540 6.281 -9.405 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.580 4.950 -8.845 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.475 5.327 -10.581 1.00 0.00 H new ATOM 663 N ASN A 49 -5.586 7.607 -11.694 1.00 0.00 N ATOM 664 CA ASN A 49 -5.447 8.637 -12.718 1.00 0.00 C ATOM 665 C ASN A 49 -6.319 9.846 -12.394 1.00 0.00 C ATOM 666 O ASN A 49 -5.918 10.990 -12.612 1.00 0.00 O ATOM 667 CB ASN A 49 -5.824 8.076 -14.090 1.00 0.00 C ATOM 668 CG ASN A 49 -5.200 8.861 -15.227 1.00 0.00 C ATOM 669 OD1 ASN A 49 -4.045 8.636 -15.592 1.00 0.00 O ATOM 670 ND2 ASN A 49 -5.962 9.790 -15.793 1.00 0.00 N ATOM 0 H ASN A 49 -5.770 6.672 -12.058 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.405 8.957 -12.738 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.507 7.035 -14.154 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.909 8.086 -14.198 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.596 10.351 -16.562 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -6.913 9.943 -15.458 1.00 0.00 H new ATOM 677 N HIS A 50 -7.513 9.585 -11.871 1.00 0.00 N ATOM 678 CA HIS A 50 -8.442 10.653 -11.516 1.00 0.00 C ATOM 679 C HIS A 50 -7.773 11.671 -10.598 1.00 0.00 C ATOM 680 O HIS A 50 -7.892 12.879 -10.801 1.00 0.00 O ATOM 681 CB HIS A 50 -9.682 10.072 -10.835 1.00 0.00 C ATOM 682 CG HIS A 50 -10.493 9.183 -11.726 1.00 0.00 C ATOM 683 ND1 HIS A 50 -11.192 8.089 -11.262 1.00 0.00 N ATOM 684 CD2 HIS A 50 -10.715 9.231 -13.061 1.00 0.00 C ATOM 685 CE1 HIS A 50 -11.808 7.502 -12.273 1.00 0.00 C ATOM 686 NE2 HIS A 50 -11.535 8.175 -13.375 1.00 0.00 N ATOM 0 H HIS A 50 -7.860 8.644 -11.684 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.744 11.160 -12.433 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -9.372 9.507 -9.956 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.310 10.890 -10.483 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -10.321 9.963 -13.750 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -12.429 6.621 -12.208 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -11.877 7.948 -14.309 1.00 0.00 H new ATOM 694 N LYS A 51 -7.069 11.176 -9.585 1.00 0.00 N ATOM 695 CA LYS A 51 -6.380 12.041 -8.635 1.00 0.00 C ATOM 696 C LYS A 51 -5.298 12.860 -9.331 1.00 0.00 C ATOM 697 O LYS A 51 -4.932 13.943 -8.873 1.00 0.00 O ATOM 698 CB LYS A 51 -5.761 11.208 -7.511 1.00 0.00 C ATOM 699 CG LYS A 51 -6.705 10.959 -6.348 1.00 0.00 C ATOM 700 CD LYS A 51 -7.478 9.663 -6.525 1.00 0.00 C ATOM 701 CE LYS A 51 -8.795 9.894 -7.249 1.00 0.00 C ATOM 702 NZ LYS A 51 -9.814 10.522 -6.362 1.00 0.00 N ATOM 0 H LYS A 51 -6.961 10.179 -9.401 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.112 12.727 -8.209 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.437 10.250 -7.917 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.870 11.716 -7.142 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.137 10.921 -5.419 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.403 11.791 -6.260 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.873 8.951 -7.086 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.671 9.217 -5.549 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.625 10.532 -8.116 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.175 8.943 -7.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.741 10.508 -6.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.872 9.991 -5.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.542 11.506 -6.162 1.00 0.00 H new ATOM 716 N LYS A 52 -4.789 12.337 -10.442 1.00 0.00 N ATOM 717 CA LYS A 52 -3.750 13.020 -11.204 1.00 0.00 C ATOM 718 C LYS A 52 -4.262 14.348 -11.752 1.00 0.00 C ATOM 719 O LYS A 52 -3.707 15.407 -11.459 1.00 0.00 O ATOM 720 CB LYS A 52 -3.266 12.134 -12.354 1.00 0.00 C ATOM 721 CG LYS A 52 -1.802 12.336 -12.702 1.00 0.00 C ATOM 722 CD LYS A 52 -1.502 13.789 -13.030 1.00 0.00 C ATOM 723 CE LYS A 52 -2.096 14.192 -14.371 1.00 0.00 C ATOM 724 NZ LYS A 52 -1.369 13.567 -15.511 1.00 0.00 N ATOM 0 H LYS A 52 -5.080 11.442 -10.835 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.915 13.221 -10.533 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.427 11.089 -12.089 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.872 12.336 -13.237 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.181 12.015 -11.866 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.540 11.708 -13.553 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.903 14.431 -12.246 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.423 13.944 -13.047 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.145 13.900 -14.406 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.064 15.277 -14.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.678 14.006 -16.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.346 13.711 -15.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.575 12.548 -15.537 1.00 0.00 H new ATOM 738 N SER A 53 -5.324 14.285 -12.548 1.00 0.00 N ATOM 739 CA SER A 53 -5.910 15.483 -13.139 1.00 0.00 C ATOM 740 C SER A 53 -6.391 16.444 -12.056 1.00 0.00 C ATOM 741 O SER A 53 -6.416 17.658 -12.255 1.00 0.00 O ATOM 742 CB SER A 53 -7.074 15.107 -14.057 1.00 0.00 C ATOM 743 OG SER A 53 -7.254 16.076 -15.075 1.00 0.00 O ATOM 0 H SER A 53 -5.797 13.417 -12.799 1.00 0.00 H new ATOM 0 HA SER A 53 -5.140 15.982 -13.727 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.886 14.132 -14.507 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.989 15.016 -13.471 1.00 0.00 H new ATOM 0 HG SER A 53 -8.003 15.812 -15.649 1.00 0.00 H new ATOM 749 N MET A 54 -6.772 15.890 -10.910 1.00 0.00 N ATOM 750 CA MET A 54 -7.251 16.697 -9.794 1.00 0.00 C ATOM 751 C MET A 54 -6.386 17.940 -9.611 1.00 0.00 C ATOM 752 O MET A 54 -6.859 19.067 -9.768 1.00 0.00 O ATOM 753 CB MET A 54 -7.257 15.872 -8.505 1.00 0.00 C ATOM 754 CG MET A 54 -8.354 16.274 -7.532 1.00 0.00 C ATOM 755 SD MET A 54 -9.878 15.343 -7.780 1.00 0.00 S ATOM 756 CE MET A 54 -9.944 15.272 -9.568 1.00 0.00 C ATOM 0 H MET A 54 -6.758 14.886 -10.730 1.00 0.00 H new ATOM 0 HA MET A 54 -8.269 17.014 -10.019 1.00 0.00 H new ATOM 0 HB2 MET A 54 -7.375 14.818 -8.758 1.00 0.00 H new ATOM 0 HB3 MET A 54 -6.290 15.975 -8.013 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.002 16.123 -6.511 1.00 0.00 H new ATOM 0 HG3 MET A 54 -8.561 17.338 -7.643 1.00 0.00 H new ATOM 0 HE1 MET A 54 -10.835 14.725 -9.878 1.00 0.00 H new ATOM 0 HE2 MET A 54 -9.981 16.284 -9.971 1.00 0.00 H new ATOM 0 HE3 MET A 54 -9.057 14.764 -9.945 1.00 0.00 H new ATOM 766 N LEU A 55 -5.118 17.729 -9.278 1.00 0.00 N ATOM 767 CA LEU A 55 -4.186 18.833 -9.074 1.00 0.00 C ATOM 768 C LEU A 55 -3.911 19.564 -10.385 1.00 0.00 C ATOM 769 O LEU A 55 -3.831 20.792 -10.418 1.00 0.00 O ATOM 770 CB LEU A 55 -2.875 18.317 -8.480 1.00 0.00 C ATOM 771 CG LEU A 55 -2.198 17.175 -9.239 1.00 0.00 C ATOM 772 CD1 LEU A 55 -1.232 17.723 -10.278 1.00 0.00 C ATOM 773 CD2 LEU A 55 -1.476 16.247 -8.273 1.00 0.00 C ATOM 0 H LEU A 55 -4.711 16.803 -9.143 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.642 19.536 -8.377 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.175 19.150 -8.417 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.067 17.985 -7.460 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.967 16.601 -9.756 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.760 16.896 -10.808 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.776 18.345 -10.988 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.467 18.321 -9.783 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.000 15.440 -8.831 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.717 16.808 -7.728 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.193 15.827 -7.568 1.00 0.00 H new ATOM 785 N ASP A 56 -3.770 18.800 -11.462 1.00 0.00 N ATOM 786 CA ASP A 56 -3.507 19.375 -12.777 1.00 0.00 C ATOM 787 C ASP A 56 -4.551 20.431 -13.127 1.00 0.00 C ATOM 788 O ASP A 56 -4.255 21.625 -13.160 1.00 0.00 O ATOM 789 CB ASP A 56 -3.496 18.278 -13.843 1.00 0.00 C ATOM 790 CG ASP A 56 -2.664 18.656 -15.053 1.00 0.00 C ATOM 791 OD1 ASP A 56 -2.880 19.757 -15.601 1.00 0.00 O ATOM 792 OD2 ASP A 56 -1.798 17.850 -15.453 1.00 0.00 O ATOM 0 H ASP A 56 -3.833 17.782 -11.451 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.528 19.853 -12.748 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.104 17.358 -13.409 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.519 18.072 -14.159 1.00 0.00 H new ATOM 797 N LYS A 57 -5.774 19.982 -13.388 1.00 0.00 N ATOM 798 CA LYS A 57 -6.864 20.887 -13.736 1.00 0.00 C ATOM 799 C LYS A 57 -8.070 20.660 -12.830 1.00 0.00 C ATOM 800 O LYS A 57 -8.735 21.608 -12.416 1.00 0.00 O ATOM 801 CB LYS A 57 -7.268 20.694 -15.199 1.00 0.00 C ATOM 802 CG LYS A 57 -7.471 19.239 -15.587 1.00 0.00 C ATOM 803 CD LYS A 57 -8.029 19.110 -16.994 1.00 0.00 C ATOM 804 CE LYS A 57 -6.917 19.036 -18.030 1.00 0.00 C ATOM 805 NZ LYS A 57 -6.533 20.385 -18.529 1.00 0.00 N ATOM 0 H LYS A 57 -6.036 18.996 -13.365 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.513 21.909 -13.595 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.190 21.244 -15.388 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.501 21.129 -15.840 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.521 18.708 -15.521 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.151 18.764 -14.880 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.649 18.216 -17.060 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.673 19.962 -17.211 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.045 18.549 -17.593 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.241 18.418 -18.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.088 20.295 -19.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.382 20.981 -18.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.861 20.822 -17.866 1.00 0.00 H new ATOM 819 N GLY A 58 -8.345 19.395 -12.525 1.00 0.00 N ATOM 820 CA GLY A 58 -9.470 19.067 -11.669 1.00 0.00 C ATOM 821 C GLY A 58 -10.187 17.807 -12.112 1.00 0.00 C ATOM 822 O GLY A 58 -9.582 16.739 -12.199 1.00 0.00 O ATOM 0 H GLY A 58 -7.809 18.592 -12.855 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.119 18.941 -10.645 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.174 19.899 -11.664 1.00 0.00 H new ATOM 826 N GLU A 59 -11.481 17.931 -12.391 1.00 0.00 N ATOM 827 CA GLU A 59 -12.281 16.792 -12.825 1.00 0.00 C ATOM 828 C GLU A 59 -11.560 16.004 -13.914 1.00 0.00 C ATOM 829 O GLU A 59 -11.342 16.505 -15.017 1.00 0.00 O ATOM 830 CB GLU A 59 -13.644 17.263 -13.338 1.00 0.00 C ATOM 831 CG GLU A 59 -13.556 18.398 -14.344 1.00 0.00 C ATOM 832 CD GLU A 59 -13.508 19.762 -13.683 1.00 0.00 C ATOM 833 OE1 GLU A 59 -14.588 20.330 -13.418 1.00 0.00 O ATOM 834 OE2 GLU A 59 -12.392 20.261 -13.430 1.00 0.00 O ATOM 0 H GLU A 59 -11.997 18.808 -12.324 1.00 0.00 H new ATOM 0 HA GLU A 59 -12.431 16.138 -11.966 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.161 16.421 -13.798 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.250 17.585 -12.491 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.666 18.265 -14.959 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.415 18.353 -15.013 1.00 0.00 H new ATOM 841 N SER A 60 -11.191 14.767 -13.596 1.00 0.00 N ATOM 842 CA SER A 60 -10.491 13.910 -14.546 1.00 0.00 C ATOM 843 C SER A 60 -11.334 13.682 -15.797 1.00 0.00 C ATOM 844 O SER A 60 -12.442 14.204 -15.915 1.00 0.00 O ATOM 845 CB SER A 60 -10.147 12.568 -13.897 1.00 0.00 C ATOM 846 OG SER A 60 -8.998 11.992 -14.492 1.00 0.00 O ATOM 0 H SER A 60 -11.365 14.336 -12.688 1.00 0.00 H new ATOM 0 HA SER A 60 -9.568 14.412 -14.838 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.975 12.710 -12.830 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.992 11.886 -13.995 1.00 0.00 H new ATOM 0 HG SER A 60 -9.259 11.202 -15.010 1.00 0.00 H new ATOM 852 N SER A 61 -10.800 12.898 -16.728 1.00 0.00 N ATOM 853 CA SER A 61 -11.500 12.603 -17.972 1.00 0.00 C ATOM 854 C SER A 61 -10.724 11.587 -18.804 1.00 0.00 C ATOM 855 O SER A 61 -9.495 11.535 -18.755 1.00 0.00 O ATOM 856 CB SER A 61 -11.711 13.885 -18.780 1.00 0.00 C ATOM 857 OG SER A 61 -12.860 13.786 -19.604 1.00 0.00 O ATOM 0 H SER A 61 -9.885 12.456 -16.644 1.00 0.00 H new ATOM 0 HA SER A 61 -12.471 12.176 -17.721 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.818 14.732 -18.102 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.833 14.079 -19.397 1.00 0.00 H new ATOM 0 HG SER A 61 -12.974 14.618 -20.108 1.00 0.00 H new ATOM 863 N CYS A 62 -11.451 10.779 -19.569 1.00 0.00 N ATOM 864 CA CYS A 62 -10.834 9.763 -20.413 1.00 0.00 C ATOM 865 C CYS A 62 -9.441 10.199 -20.859 1.00 0.00 C ATOM 866 O CYS A 62 -9.279 11.108 -21.673 1.00 0.00 O ATOM 867 CB CYS A 62 -11.709 9.485 -21.636 1.00 0.00 C ATOM 868 SG CYS A 62 -11.117 8.113 -22.678 1.00 0.00 S ATOM 0 H CYS A 62 -12.469 10.809 -19.622 1.00 0.00 H new ATOM 0 HA CYS A 62 -10.740 8.849 -19.827 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -12.722 9.262 -21.301 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -11.765 10.389 -22.242 1.00 0.00 H new ATOM 0 HG CYS A 62 -12.134 7.504 -23.212 1.00 0.00 H new ATOM 873 N PRO A 63 -8.410 9.536 -20.314 1.00 0.00 N ATOM 874 CA PRO A 63 -7.014 9.836 -20.641 1.00 0.00 C ATOM 875 C PRO A 63 -6.651 9.427 -22.065 1.00 0.00 C ATOM 876 O PRO A 63 -5.488 9.496 -22.464 1.00 0.00 O ATOM 877 CB PRO A 63 -6.225 9.003 -19.628 1.00 0.00 C ATOM 878 CG PRO A 63 -7.136 7.880 -19.270 1.00 0.00 C ATOM 879 CD PRO A 63 -8.530 8.441 -19.337 1.00 0.00 C ATOM 0 HA PRO A 63 -6.804 10.904 -20.590 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.293 8.635 -20.058 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.960 9.593 -18.751 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -7.017 7.046 -19.961 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.915 7.501 -18.272 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.250 7.690 -19.661 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.864 8.804 -18.365 1.00 0.00 H new ATOM 887 N VAL A 64 -7.653 9.002 -22.827 1.00 0.00 N ATOM 888 CA VAL A 64 -7.440 8.584 -24.207 1.00 0.00 C ATOM 889 C VAL A 64 -7.978 9.621 -25.186 1.00 0.00 C ATOM 890 O VAL A 64 -7.299 10.004 -26.138 1.00 0.00 O ATOM 891 CB VAL A 64 -8.111 7.227 -24.493 1.00 0.00 C ATOM 892 CG1 VAL A 64 -7.858 6.798 -25.930 1.00 0.00 C ATOM 893 CG2 VAL A 64 -7.614 6.171 -23.517 1.00 0.00 C ATOM 0 H VAL A 64 -8.621 8.938 -22.512 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.363 8.485 -24.344 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.187 7.337 -24.357 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.340 5.837 -26.113 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.268 7.545 -26.610 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.785 6.704 -26.098 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.098 5.219 -23.733 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.534 6.061 -23.619 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.853 6.476 -22.498 1.00 0.00 H new ATOM 903 N CYS A 65 -9.204 10.073 -24.944 1.00 0.00 N ATOM 904 CA CYS A 65 -9.836 11.067 -25.804 1.00 0.00 C ATOM 905 C CYS A 65 -10.318 12.263 -24.988 1.00 0.00 C ATOM 906 O CYS A 65 -10.481 13.363 -25.517 1.00 0.00 O ATOM 907 CB CYS A 65 -11.012 10.445 -26.560 1.00 0.00 C ATOM 908 SG CYS A 65 -12.375 9.888 -25.487 1.00 0.00 S ATOM 0 H CYS A 65 -9.780 9.767 -24.160 1.00 0.00 H new ATOM 0 HA CYS A 65 -9.094 11.414 -26.523 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -11.399 11.174 -27.272 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -10.649 9.596 -27.139 1.00 0.00 H new ATOM 0 HG CYS A 65 -11.889 9.241 -24.469 1.00 0.00 H new ATOM 913 N ARG A 66 -10.544 12.040 -23.697 1.00 0.00 N ATOM 914 CA ARG A 66 -11.008 13.099 -22.809 1.00 0.00 C ATOM 915 C ARG A 66 -12.308 13.710 -23.324 1.00 0.00 C ATOM 916 O ARG A 66 -12.410 14.926 -23.489 1.00 0.00 O ATOM 917 CB ARG A 66 -9.939 14.186 -22.674 1.00 0.00 C ATOM 918 CG ARG A 66 -8.772 13.785 -21.787 1.00 0.00 C ATOM 919 CD ARG A 66 -7.726 12.999 -22.563 1.00 0.00 C ATOM 920 NE ARG A 66 -6.717 13.870 -23.159 1.00 0.00 N ATOM 921 CZ ARG A 66 -5.984 13.531 -24.213 1.00 0.00 C ATOM 922 NH1 ARG A 66 -6.148 12.347 -24.786 1.00 0.00 N ATOM 923 NH2 ARG A 66 -5.085 14.379 -24.698 1.00 0.00 N ATOM 0 H ARG A 66 -10.413 11.136 -23.243 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.196 12.660 -21.829 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.561 14.438 -23.665 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -10.399 15.088 -22.270 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.315 14.678 -21.360 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.137 13.184 -20.954 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.241 12.285 -21.897 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.215 12.421 -23.347 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.567 14.789 -22.743 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.839 11.693 -24.417 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.583 12.090 -25.596 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.957 15.292 -24.261 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.522 14.118 -25.508 1.00 0.00 H new ATOM 937 N ILE A 67 -13.296 12.859 -23.575 1.00 0.00 N ATOM 938 CA ILE A 67 -14.589 13.316 -24.070 1.00 0.00 C ATOM 939 C ILE A 67 -15.577 13.516 -22.926 1.00 0.00 C ATOM 940 O ILE A 67 -16.331 14.488 -22.906 1.00 0.00 O ATOM 941 CB ILE A 67 -15.188 12.321 -25.082 1.00 0.00 C ATOM 942 CG1 ILE A 67 -16.489 12.875 -25.667 1.00 0.00 C ATOM 943 CG2 ILE A 67 -15.430 10.973 -24.420 1.00 0.00 C ATOM 944 CD1 ILE A 67 -17.017 12.071 -26.834 1.00 0.00 C ATOM 0 H ILE A 67 -13.227 11.850 -23.444 1.00 0.00 H new ATOM 0 HA ILE A 67 -14.416 14.270 -24.568 1.00 0.00 H new ATOM 0 HB ILE A 67 -14.477 12.181 -25.896 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -17.247 12.904 -24.884 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -16.324 13.903 -25.989 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -15.853 10.281 -25.148 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -14.486 10.576 -24.048 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -16.125 11.095 -23.589 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -17.941 12.521 -27.198 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -16.277 12.063 -27.635 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -17.214 11.049 -26.512 1.00 0.00 H new ATOM 956 N SER A 68 -15.565 12.589 -21.973 1.00 0.00 N ATOM 957 CA SER A 68 -16.461 12.662 -20.825 1.00 0.00 C ATOM 958 C SER A 68 -16.132 11.572 -19.809 1.00 0.00 C ATOM 959 O SER A 68 -15.534 10.551 -20.149 1.00 0.00 O ATOM 960 CB SER A 68 -17.916 12.531 -21.278 1.00 0.00 C ATOM 961 OG SER A 68 -18.802 13.064 -20.309 1.00 0.00 O ATOM 0 H SER A 68 -14.945 11.779 -21.973 1.00 0.00 H new ATOM 0 HA SER A 68 -16.323 13.632 -20.348 1.00 0.00 H new ATOM 0 HB2 SER A 68 -18.053 13.051 -22.226 1.00 0.00 H new ATOM 0 HB3 SER A 68 -18.152 11.481 -21.453 1.00 0.00 H new ATOM 0 HG SER A 68 -18.790 12.499 -19.508 1.00 0.00 H new ATOM 967 N TYR A 69 -16.528 11.797 -18.561 1.00 0.00 N ATOM 968 CA TYR A 69 -16.274 10.836 -17.494 1.00 0.00 C ATOM 969 C TYR A 69 -17.121 11.151 -16.265 1.00 0.00 C ATOM 970 O TYR A 69 -16.999 12.223 -15.672 1.00 0.00 O ATOM 971 CB TYR A 69 -14.791 10.838 -17.120 1.00 0.00 C ATOM 972 CG TYR A 69 -14.533 10.512 -15.666 1.00 0.00 C ATOM 973 CD1 TYR A 69 -14.971 9.315 -15.114 1.00 0.00 C ATOM 974 CD2 TYR A 69 -13.851 11.402 -14.844 1.00 0.00 C ATOM 975 CE1 TYR A 69 -14.738 9.013 -13.786 1.00 0.00 C ATOM 976 CE2 TYR A 69 -13.613 11.107 -13.516 1.00 0.00 C ATOM 977 CZ TYR A 69 -14.058 9.912 -12.991 1.00 0.00 C ATOM 978 OH TYR A 69 -13.824 9.615 -11.668 1.00 0.00 O ATOM 0 H TYR A 69 -17.026 12.636 -18.263 1.00 0.00 H new ATOM 0 HA TYR A 69 -16.548 9.846 -17.858 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -14.266 10.115 -17.744 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -14.370 11.818 -17.344 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -15.503 8.608 -15.734 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -13.502 12.340 -15.251 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -15.086 8.078 -13.373 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -13.081 11.809 -12.891 1.00 0.00 H new ATOM 0 HH TYR A 69 -13.333 10.352 -11.249 1.00 0.00 H new ATOM 988 N GLN A 70 -17.978 10.208 -15.888 1.00 0.00 N ATOM 989 CA GLN A 70 -18.846 10.384 -14.729 1.00 0.00 C ATOM 990 C GLN A 70 -18.769 9.175 -13.802 1.00 0.00 C ATOM 991 O GLN A 70 -19.398 8.143 -14.035 1.00 0.00 O ATOM 992 CB GLN A 70 -20.291 10.607 -15.177 1.00 0.00 C ATOM 993 CG GLN A 70 -20.609 12.057 -15.507 1.00 0.00 C ATOM 994 CD GLN A 70 -19.814 12.573 -16.690 1.00 0.00 C ATOM 995 OE1 GLN A 70 -19.382 11.802 -17.547 1.00 0.00 O ATOM 996 NE2 GLN A 70 -19.616 13.885 -16.744 1.00 0.00 N ATOM 0 H GLN A 70 -18.090 9.315 -16.368 1.00 0.00 H new ATOM 0 HA GLN A 70 -18.504 11.261 -14.180 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -20.490 9.991 -16.054 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -20.963 10.266 -14.390 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -21.674 12.152 -15.720 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -20.401 12.678 -14.636 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -19.992 14.488 -16.012 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -19.088 14.290 -17.517 1.00 0.00 H new ATOM 1005 N PRO A 71 -17.978 9.303 -12.726 1.00 0.00 N ATOM 1006 CA PRO A 71 -17.800 8.231 -11.743 1.00 0.00 C ATOM 1007 C PRO A 71 -19.057 7.991 -10.913 1.00 0.00 C ATOM 1008 O PRO A 71 -19.065 7.152 -10.013 1.00 0.00 O ATOM 1009 CB PRO A 71 -16.664 8.748 -10.856 1.00 0.00 C ATOM 1010 CG PRO A 71 -16.728 10.231 -10.984 1.00 0.00 C ATOM 1011 CD PRO A 71 -17.198 10.505 -12.386 1.00 0.00 C ATOM 0 HA PRO A 71 -17.586 7.274 -12.218 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -16.796 8.434 -9.821 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -15.699 8.364 -11.185 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -17.414 10.657 -10.252 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -15.751 10.681 -10.805 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -17.808 11.407 -12.436 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -16.361 10.648 -13.070 1.00 0.00 H new ATOM 1019 N GLU A 72 -20.116 8.732 -11.223 1.00 0.00 N ATOM 1020 CA GLU A 72 -21.378 8.599 -10.505 1.00 0.00 C ATOM 1021 C GLU A 72 -22.159 7.384 -10.998 1.00 0.00 C ATOM 1022 O GLU A 72 -22.760 6.657 -10.209 1.00 0.00 O ATOM 1023 CB GLU A 72 -22.221 9.864 -10.671 1.00 0.00 C ATOM 1024 CG GLU A 72 -21.748 11.028 -9.816 1.00 0.00 C ATOM 1025 CD GLU A 72 -22.567 12.285 -10.037 1.00 0.00 C ATOM 1026 OE1 GLU A 72 -22.950 12.546 -11.197 1.00 0.00 O ATOM 1027 OE2 GLU A 72 -22.825 13.006 -9.051 1.00 0.00 O ATOM 0 H GLU A 72 -20.125 9.430 -11.966 1.00 0.00 H new ATOM 0 HA GLU A 72 -21.152 8.459 -9.448 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -22.207 10.165 -11.719 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -23.257 9.636 -10.418 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -21.799 10.746 -8.764 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -20.702 11.237 -10.040 1.00 0.00 H new ATOM 1034 N ASN A 73 -22.146 7.173 -12.310 1.00 0.00 N ATOM 1035 CA ASN A 73 -22.854 6.048 -12.911 1.00 0.00 C ATOM 1036 C ASN A 73 -21.903 4.885 -13.173 1.00 0.00 C ATOM 1037 O ASN A 73 -22.196 3.740 -12.825 1.00 0.00 O ATOM 1038 CB ASN A 73 -23.524 6.479 -14.217 1.00 0.00 C ATOM 1039 CG ASN A 73 -22.524 6.683 -15.339 1.00 0.00 C ATOM 1040 OD1 ASN A 73 -22.216 5.755 -16.087 1.00 0.00 O ATOM 1041 ND2 ASN A 73 -22.012 7.902 -15.461 1.00 0.00 N ATOM 0 H ASN A 73 -21.653 7.766 -12.978 1.00 0.00 H new ATOM 0 HA ASN A 73 -23.620 5.716 -12.210 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -24.252 5.724 -14.515 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -24.075 7.405 -14.052 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -21.334 8.099 -16.197 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -22.296 8.641 -14.818 1.00 0.00 H new ATOM 1048 N ILE A 74 -20.764 5.185 -13.787 1.00 0.00 N ATOM 1049 CA ILE A 74 -19.770 4.165 -14.095 1.00 0.00 C ATOM 1050 C ILE A 74 -19.741 3.084 -13.019 1.00 0.00 C ATOM 1051 O ILE A 74 -19.892 3.371 -11.832 1.00 0.00 O ATOM 1052 CB ILE A 74 -18.362 4.774 -14.232 1.00 0.00 C ATOM 1053 CG1 ILE A 74 -18.325 5.772 -15.391 1.00 0.00 C ATOM 1054 CG2 ILE A 74 -17.328 3.677 -14.437 1.00 0.00 C ATOM 1055 CD1 ILE A 74 -17.113 6.676 -15.371 1.00 0.00 C ATOM 0 H ILE A 74 -20.506 6.127 -14.081 1.00 0.00 H new ATOM 0 HA ILE A 74 -20.059 3.720 -15.047 1.00 0.00 H new ATOM 0 HB ILE A 74 -18.121 5.306 -13.312 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -18.344 5.224 -16.333 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -19.226 6.385 -15.361 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -16.338 4.123 -14.532 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -17.341 3.001 -13.582 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -17.563 3.120 -15.344 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -17.153 7.357 -16.221 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -17.103 7.251 -14.445 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -16.208 6.072 -15.432 1.00 0.00 H new ATOM 1067 N ARG A 75 -19.546 1.840 -13.444 1.00 0.00 N ATOM 1068 CA ARG A 75 -19.497 0.715 -12.517 1.00 0.00 C ATOM 1069 C ARG A 75 -18.997 -0.545 -13.218 1.00 0.00 C ATOM 1070 O ARG A 75 -19.241 -0.764 -14.405 1.00 0.00 O ATOM 1071 CB ARG A 75 -20.880 0.462 -11.915 1.00 0.00 C ATOM 1072 CG ARG A 75 -21.902 -0.036 -12.925 1.00 0.00 C ATOM 1073 CD ARG A 75 -23.322 0.273 -12.478 1.00 0.00 C ATOM 1074 NE ARG A 75 -23.890 -0.807 -11.675 1.00 0.00 N ATOM 1075 CZ ARG A 75 -24.887 -0.635 -10.813 1.00 0.00 C ATOM 1076 NH1 ARG A 75 -25.422 0.566 -10.644 1.00 0.00 N ATOM 1077 NH2 ARG A 75 -25.350 -1.667 -10.119 1.00 0.00 N ATOM 0 H ARG A 75 -19.419 1.585 -14.424 1.00 0.00 H new ATOM 0 HA ARG A 75 -18.801 0.966 -11.717 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -20.789 -0.269 -11.112 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -21.246 1.385 -11.466 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -21.715 0.429 -13.893 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -21.788 -1.112 -13.060 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -23.327 1.196 -11.899 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -23.949 0.442 -13.353 1.00 0.00 H new ATOM 0 HE ARG A 75 -23.500 -1.744 -11.782 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -25.069 1.361 -11.176 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -26.187 0.695 -9.982 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -24.941 -2.592 -10.247 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -26.115 -1.535 -9.458 1.00 0.00 H new