USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=23 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 :FLIP no HE2:sc= -4.81 F(o=-6.9,f=-5.5) USER MOD Set 1.2: A 60 SER OG : rot -147:sc= -0.662 USER MOD Set 2.1: A 37 CYS SG : rot 100:sc= -0.285 USER MOD Set 2.2: A 39 HIS : no HD1:sc= 0.0684 K(o=0.12,f=-0.61) USER MOD Set 2.3: A 62 CYS SG : rot 63:sc= 0.267 USER MOD Set 2.4: A 65 CYS SG : rot -47:sc= 0.0706 USER MOD Set 3.1: A 22 CYS SG : rot 97:sc= 0.52! USER MOD Set 3.2: A 25 CYS SG : rot -61:sc= -0.93 USER MOD Set 3.3: A 42 CYS SG : rot 85:sc= -0.695 USER MOD Set 3.4: A 45 CYS SG : rot 129:sc= -0.968 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 K(o=0,f=-0.71) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN :FLIP amide:sc= -1.17 F(o=-1.7!,f=-1.2) USER MOD Single : A 47 THR OG1 : rot 91:sc= 0.105 USER MOD Single : A 49 ASN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 179:sc= -0.768 (180deg=-0.783) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -160:sc= -0.675 USER MOD Single : A 54 MET CE :methyl -172:sc= -0.182 (180deg=-0.282) USER MOD Single : A 57 LYS NZ :NH3+ 175:sc= 1.11 (180deg=0.987) USER MOD Single : A 61 SER OG : rot -16:sc= 0.6 USER MOD Single : A 68 SER OG : rot 46:sc= 1.05 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 73 ASN : amide:sc= -0.175 K(o=-0.17,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 232 N GLU A 19 -5.435 -9.351 -26.109 1.00 0.00 N ATOM 233 CA GLU A 19 -5.638 -8.295 -27.093 1.00 0.00 C ATOM 234 C GLU A 19 -5.915 -6.960 -26.410 1.00 0.00 C ATOM 235 O GLU A 19 -5.305 -5.942 -26.739 1.00 0.00 O ATOM 236 CB GLU A 19 -6.796 -8.653 -28.027 1.00 0.00 C ATOM 237 CG GLU A 19 -8.117 -8.860 -27.305 1.00 0.00 C ATOM 238 CD GLU A 19 -9.246 -9.227 -28.249 1.00 0.00 C ATOM 239 OE1 GLU A 19 -9.400 -8.543 -29.282 1.00 0.00 O ATOM 240 OE2 GLU A 19 -9.976 -10.196 -27.954 1.00 0.00 O ATOM 0 HA GLU A 19 -4.724 -8.200 -27.679 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.915 -7.860 -28.765 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.544 -9.562 -28.573 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.000 -9.647 -26.560 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.380 -7.949 -26.767 1.00 0.00 H new ATOM 247 N VAL A 20 -6.841 -6.971 -25.456 1.00 0.00 N ATOM 248 CA VAL A 20 -7.200 -5.762 -24.724 1.00 0.00 C ATOM 249 C VAL A 20 -6.113 -5.380 -23.725 1.00 0.00 C ATOM 250 O VAL A 20 -5.830 -6.123 -22.785 1.00 0.00 O ATOM 251 CB VAL A 20 -8.534 -5.934 -23.974 1.00 0.00 C ATOM 252 CG1 VAL A 20 -8.928 -4.639 -23.281 1.00 0.00 C ATOM 253 CG2 VAL A 20 -9.626 -6.393 -24.928 1.00 0.00 C ATOM 0 H VAL A 20 -7.356 -7.804 -25.172 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.307 -4.967 -25.462 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.405 -6.701 -23.210 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.873 -4.780 -22.756 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.154 -4.359 -22.566 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.039 -3.848 -24.023 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.562 -6.509 -24.381 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.756 -5.651 -25.716 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.344 -7.348 -25.372 1.00 0.00 H new ATOM 263 N THR A 21 -5.506 -4.216 -23.935 1.00 0.00 N ATOM 264 CA THR A 21 -4.449 -3.736 -23.054 1.00 0.00 C ATOM 265 C THR A 21 -4.817 -2.391 -22.437 1.00 0.00 C ATOM 266 O THR A 21 -5.506 -1.580 -23.055 1.00 0.00 O ATOM 267 CB THR A 21 -3.112 -3.594 -23.805 1.00 0.00 C ATOM 268 OG1 THR A 21 -2.848 -4.781 -24.562 1.00 0.00 O ATOM 269 CG2 THR A 21 -1.969 -3.342 -22.833 1.00 0.00 C ATOM 0 H THR A 21 -5.729 -3.588 -24.708 1.00 0.00 H new ATOM 0 HA THR A 21 -4.336 -4.478 -22.263 1.00 0.00 H new ATOM 0 HB THR A 21 -3.188 -2.742 -24.480 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.997 -4.683 -25.038 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.035 -3.245 -23.387 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.159 -2.423 -22.278 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.893 -4.177 -22.136 1.00 0.00 H new ATOM 277 N CYS A 22 -4.352 -2.160 -21.213 1.00 0.00 N ATOM 278 CA CYS A 22 -4.632 -0.913 -20.511 1.00 0.00 C ATOM 279 C CYS A 22 -3.704 0.200 -20.990 1.00 0.00 C ATOM 280 O CYS A 22 -2.480 0.070 -20.978 1.00 0.00 O ATOM 281 CB CYS A 22 -4.477 -1.108 -19.002 1.00 0.00 C ATOM 282 SG CYS A 22 -4.829 0.386 -18.020 1.00 0.00 S ATOM 0 H CYS A 22 -3.780 -2.820 -20.687 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.660 -0.624 -20.729 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.144 -1.908 -18.679 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.459 -1.437 -18.791 1.00 0.00 H new ATOM 0 HG CYS A 22 -6.053 0.340 -17.584 1.00 0.00 H new ATOM 287 N PRO A 23 -4.300 1.321 -21.422 1.00 0.00 N ATOM 288 CA PRO A 23 -3.547 2.480 -21.912 1.00 0.00 C ATOM 289 C PRO A 23 -2.791 3.194 -20.797 1.00 0.00 C ATOM 290 O PRO A 23 -2.123 4.201 -21.033 1.00 0.00 O ATOM 291 CB PRO A 23 -4.633 3.390 -22.491 1.00 0.00 C ATOM 292 CG PRO A 23 -5.873 3.016 -21.754 1.00 0.00 C ATOM 293 CD PRO A 23 -5.755 1.545 -21.465 1.00 0.00 C ATOM 0 HA PRO A 23 -2.783 2.194 -22.634 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.388 4.442 -22.345 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.748 3.236 -23.564 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.966 3.589 -20.831 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.760 3.227 -22.351 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.230 1.282 -20.520 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.231 0.944 -22.240 1.00 0.00 H new ATOM 301 N ILE A 24 -2.902 2.667 -19.582 1.00 0.00 N ATOM 302 CA ILE A 24 -2.227 3.254 -18.431 1.00 0.00 C ATOM 303 C ILE A 24 -1.051 2.393 -17.985 1.00 0.00 C ATOM 304 O ILE A 24 0.108 2.786 -18.123 1.00 0.00 O ATOM 305 CB ILE A 24 -3.193 3.437 -17.246 1.00 0.00 C ATOM 306 CG1 ILE A 24 -4.191 4.559 -17.541 1.00 0.00 C ATOM 307 CG2 ILE A 24 -2.417 3.734 -15.971 1.00 0.00 C ATOM 308 CD1 ILE A 24 -5.509 4.402 -16.815 1.00 0.00 C ATOM 0 H ILE A 24 -3.453 1.835 -19.369 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.860 4.231 -18.745 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.749 2.510 -17.103 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.744 5.514 -17.264 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.379 4.595 -18.614 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.114 3.861 -15.142 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.742 2.906 -15.754 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.838 4.648 -16.102 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.167 5.232 -17.071 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.978 3.463 -17.111 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.333 4.397 -15.739 1.00 0.00 H new ATOM 320 N CYS A 25 -1.356 1.215 -17.451 1.00 0.00 N ATOM 321 CA CYS A 25 -0.324 0.296 -16.985 1.00 0.00 C ATOM 322 C CYS A 25 0.245 -0.516 -18.145 1.00 0.00 C ATOM 323 O CYS A 25 1.201 -1.274 -17.977 1.00 0.00 O ATOM 324 CB CYS A 25 -0.893 -0.645 -15.921 1.00 0.00 C ATOM 325 SG CYS A 25 -2.279 -1.674 -16.502 1.00 0.00 S ATOM 0 H CYS A 25 -2.310 0.874 -17.330 1.00 0.00 H new ATOM 0 HA CYS A 25 0.482 0.885 -16.547 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.096 -1.297 -15.564 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.227 -0.053 -15.069 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.264 -0.909 -16.868 1.00 0.00 H new ATOM 330 N LEU A 26 -0.349 -0.352 -19.322 1.00 0.00 N ATOM 331 CA LEU A 26 0.099 -1.068 -20.512 1.00 0.00 C ATOM 332 C LEU A 26 0.525 -2.490 -20.162 1.00 0.00 C ATOM 333 O LEU A 26 1.570 -2.962 -20.609 1.00 0.00 O ATOM 334 CB LEU A 26 1.260 -0.324 -21.173 1.00 0.00 C ATOM 335 CG LEU A 26 1.080 1.185 -21.342 1.00 0.00 C ATOM 336 CD1 LEU A 26 2.364 1.822 -21.850 1.00 0.00 C ATOM 337 CD2 LEU A 26 -0.075 1.482 -22.287 1.00 0.00 C ATOM 0 H LEU A 26 -1.142 0.270 -19.478 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.736 -1.119 -21.211 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.160 -0.499 -20.583 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.433 -0.762 -22.156 1.00 0.00 H new ATOM 0 HG LEU A 26 0.846 1.615 -20.368 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.217 2.896 -21.964 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.168 1.640 -21.137 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.629 1.388 -22.814 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.188 2.561 -22.395 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.129 1.039 -23.262 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.994 1.059 -21.882 1.00 0.00 H new ATOM 349 N GLU A 27 -0.292 -3.168 -19.362 1.00 0.00 N ATOM 350 CA GLU A 27 0.001 -4.537 -18.954 1.00 0.00 C ATOM 351 C GLU A 27 -1.009 -5.511 -19.555 1.00 0.00 C ATOM 352 O GLU A 27 -0.686 -6.274 -20.467 1.00 0.00 O ATOM 353 CB GLU A 27 -0.009 -4.652 -17.429 1.00 0.00 C ATOM 354 CG GLU A 27 1.076 -3.833 -16.750 1.00 0.00 C ATOM 355 CD GLU A 27 1.546 -4.453 -15.448 1.00 0.00 C ATOM 356 OE1 GLU A 27 0.735 -5.139 -14.791 1.00 0.00 O ATOM 357 OE2 GLU A 27 2.725 -4.253 -15.086 1.00 0.00 O ATOM 0 H GLU A 27 -1.161 -2.792 -18.984 1.00 0.00 H new ATOM 0 HA GLU A 27 0.994 -4.795 -19.324 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.982 -4.332 -17.055 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.110 -5.699 -17.151 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.925 -3.730 -17.426 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.700 -2.829 -16.555 1.00 0.00 H new ATOM 364 N LEU A 28 -2.231 -5.481 -19.037 1.00 0.00 N ATOM 365 CA LEU A 28 -3.289 -6.362 -19.521 1.00 0.00 C ATOM 366 C LEU A 28 -4.656 -5.886 -19.039 1.00 0.00 C ATOM 367 O LEU A 28 -4.776 -5.287 -17.969 1.00 0.00 O ATOM 368 CB LEU A 28 -3.041 -7.796 -19.050 1.00 0.00 C ATOM 369 CG LEU A 28 -4.264 -8.714 -19.022 1.00 0.00 C ATOM 370 CD1 LEU A 28 -4.866 -8.844 -20.413 1.00 0.00 C ATOM 371 CD2 LEU A 28 -3.890 -10.082 -18.471 1.00 0.00 C ATOM 0 H LEU A 28 -2.515 -4.857 -18.282 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.279 -6.337 -20.611 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.289 -8.245 -19.699 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.616 -7.759 -18.047 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.012 -8.271 -18.365 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.735 -9.501 -20.373 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.170 -7.861 -20.771 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.124 -9.264 -21.093 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.772 -10.723 -18.458 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.124 -10.532 -19.103 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.506 -9.973 -17.457 1.00 0.00 H new ATOM 383 N LEU A 29 -5.685 -6.157 -19.835 1.00 0.00 N ATOM 384 CA LEU A 29 -7.045 -5.759 -19.489 1.00 0.00 C ATOM 385 C LEU A 29 -8.014 -6.925 -19.659 1.00 0.00 C ATOM 386 O LEU A 29 -8.602 -7.107 -20.726 1.00 0.00 O ATOM 387 CB LEU A 29 -7.489 -4.581 -20.358 1.00 0.00 C ATOM 388 CG LEU A 29 -7.104 -3.190 -19.852 1.00 0.00 C ATOM 389 CD1 LEU A 29 -7.878 -2.116 -20.600 1.00 0.00 C ATOM 390 CD2 LEU A 29 -7.349 -3.082 -18.354 1.00 0.00 C ATOM 0 H LEU A 29 -5.603 -6.650 -20.724 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.053 -5.454 -18.443 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.068 -4.712 -21.355 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.573 -4.621 -20.462 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.041 -3.038 -20.038 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.591 -1.133 -20.226 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.652 -2.180 -21.664 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.947 -2.264 -20.446 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.070 -2.086 -18.011 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.405 -3.255 -18.145 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.748 -3.827 -17.832 1.00 0.00 H new ATOM 402 N THR A 30 -8.177 -7.712 -18.600 1.00 0.00 N ATOM 403 CA THR A 30 -9.075 -8.859 -18.632 1.00 0.00 C ATOM 404 C THR A 30 -10.458 -8.489 -18.109 1.00 0.00 C ATOM 405 O THR A 30 -11.468 -9.012 -18.579 1.00 0.00 O ATOM 406 CB THR A 30 -8.519 -10.030 -17.799 1.00 0.00 C ATOM 407 OG1 THR A 30 -9.451 -11.117 -17.800 1.00 0.00 O ATOM 408 CG2 THR A 30 -8.243 -9.593 -16.368 1.00 0.00 C ATOM 0 H THR A 30 -7.699 -7.576 -17.710 1.00 0.00 H new ATOM 0 HA THR A 30 -9.155 -9.170 -19.674 1.00 0.00 H new ATOM 0 HB THR A 30 -7.581 -10.355 -18.250 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.090 -11.858 -17.270 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.851 -10.436 -15.799 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.512 -8.785 -16.369 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.168 -9.244 -15.909 1.00 0.00 H new ATOM 416 N GLN A 31 -10.495 -7.586 -17.135 1.00 0.00 N ATOM 417 CA GLN A 31 -11.756 -7.147 -16.548 1.00 0.00 C ATOM 418 C GLN A 31 -11.787 -5.630 -16.398 1.00 0.00 C ATOM 419 O GLN A 31 -12.051 -5.094 -15.321 1.00 0.00 O ATOM 420 CB GLN A 31 -11.968 -7.811 -15.187 1.00 0.00 C ATOM 421 CG GLN A 31 -10.864 -7.512 -14.186 1.00 0.00 C ATOM 422 CD GLN A 31 -11.015 -8.299 -12.898 1.00 0.00 C ATOM 423 OE1 GLN A 31 -12.084 -8.837 -12.608 1.00 0.00 O ATOM 424 NE2 GLN A 31 -9.943 -8.370 -12.118 1.00 0.00 N ATOM 0 H GLN A 31 -9.667 -7.144 -16.736 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.563 -7.444 -17.218 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.921 -7.479 -14.775 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.039 -8.890 -15.325 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.898 -7.742 -14.636 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.864 -6.446 -13.958 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.077 -7.909 -12.398 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.985 -8.886 -11.239 1.00 0.00 H new ATOM 433 N PRO A 32 -11.511 -4.919 -17.501 1.00 0.00 N ATOM 434 CA PRO A 32 -11.501 -3.453 -17.517 1.00 0.00 C ATOM 435 C PRO A 32 -12.899 -2.863 -17.368 1.00 0.00 C ATOM 436 O PRO A 32 -13.892 -3.591 -17.340 1.00 0.00 O ATOM 437 CB PRO A 32 -10.923 -3.117 -18.894 1.00 0.00 C ATOM 438 CG PRO A 32 -11.241 -4.303 -19.738 1.00 0.00 C ATOM 439 CD PRO A 32 -11.188 -5.492 -18.819 1.00 0.00 C ATOM 0 HA PRO A 32 -10.928 -3.040 -16.687 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.371 -2.210 -19.301 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.848 -2.946 -18.841 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -12.227 -4.205 -20.193 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.523 -4.407 -20.552 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -11.906 -6.258 -19.111 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -10.204 -5.960 -18.823 1.00 0.00 H new ATOM 447 N LEU A 33 -12.970 -1.540 -17.272 1.00 0.00 N ATOM 448 CA LEU A 33 -14.248 -0.850 -17.126 1.00 0.00 C ATOM 449 C LEU A 33 -14.653 -0.172 -18.431 1.00 0.00 C ATOM 450 O LEU A 33 -13.819 0.062 -19.306 1.00 0.00 O ATOM 451 CB LEU A 33 -14.165 0.186 -16.004 1.00 0.00 C ATOM 452 CG LEU A 33 -13.728 -0.340 -14.636 1.00 0.00 C ATOM 453 CD1 LEU A 33 -13.715 0.784 -13.612 1.00 0.00 C ATOM 454 CD2 LEU A 33 -14.641 -1.469 -14.181 1.00 0.00 C ATOM 0 H LEU A 33 -12.158 -0.923 -17.293 1.00 0.00 H new ATOM 0 HA LEU A 33 -15.006 -1.591 -16.873 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -13.470 0.968 -16.309 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -15.143 0.654 -15.896 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.716 -0.734 -14.726 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -13.402 0.391 -12.645 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.019 1.559 -13.932 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -14.715 1.208 -13.525 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -14.314 -1.830 -13.206 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -15.665 -1.102 -14.108 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.599 -2.285 -14.903 1.00 0.00 H new ATOM 466 N SER A 34 -15.938 0.142 -18.554 1.00 0.00 N ATOM 467 CA SER A 34 -16.455 0.793 -19.753 1.00 0.00 C ATOM 468 C SER A 34 -16.738 2.269 -19.491 1.00 0.00 C ATOM 469 O SER A 34 -16.945 2.680 -18.349 1.00 0.00 O ATOM 470 CB SER A 34 -17.729 0.094 -20.229 1.00 0.00 C ATOM 471 OG SER A 34 -18.184 0.641 -21.455 1.00 0.00 O ATOM 0 H SER A 34 -16.641 -0.044 -17.839 1.00 0.00 H new ATOM 0 HA SER A 34 -15.696 0.720 -20.532 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.538 -0.972 -20.352 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.507 0.194 -19.472 1.00 0.00 H new ATOM 0 HG SER A 34 -18.999 0.176 -21.739 1.00 0.00 H new ATOM 477 N LEU A 35 -16.746 3.061 -20.557 1.00 0.00 N ATOM 478 CA LEU A 35 -17.004 4.493 -20.444 1.00 0.00 C ATOM 479 C LEU A 35 -17.874 4.982 -21.598 1.00 0.00 C ATOM 480 O LEU A 35 -18.144 4.240 -22.543 1.00 0.00 O ATOM 481 CB LEU A 35 -15.686 5.268 -20.420 1.00 0.00 C ATOM 482 CG LEU A 35 -14.630 4.767 -19.434 1.00 0.00 C ATOM 483 CD1 LEU A 35 -13.265 5.345 -19.773 1.00 0.00 C ATOM 484 CD2 LEU A 35 -15.022 5.123 -18.007 1.00 0.00 C ATOM 0 H LEU A 35 -16.577 2.737 -21.509 1.00 0.00 H new ATOM 0 HA LEU A 35 -17.539 4.669 -19.510 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -15.257 5.247 -21.422 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -15.905 6.310 -20.188 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.572 3.682 -19.514 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.527 4.977 -19.060 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.981 5.040 -20.780 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.308 6.433 -19.722 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.259 4.759 -17.319 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.109 6.205 -17.913 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -15.979 4.660 -17.766 1.00 0.00 H new ATOM 496 N ASP A 36 -18.307 6.235 -21.515 1.00 0.00 N ATOM 497 CA ASP A 36 -19.144 6.824 -22.554 1.00 0.00 C ATOM 498 C ASP A 36 -18.290 7.515 -23.613 1.00 0.00 C ATOM 499 O ASP A 36 -18.773 8.372 -24.353 1.00 0.00 O ATOM 500 CB ASP A 36 -20.126 7.824 -21.942 1.00 0.00 C ATOM 501 CG ASP A 36 -20.836 7.266 -20.724 1.00 0.00 C ATOM 502 OD1 ASP A 36 -21.226 6.080 -20.758 1.00 0.00 O ATOM 503 OD2 ASP A 36 -21.004 8.015 -19.739 1.00 0.00 O ATOM 0 H ASP A 36 -18.093 6.862 -20.740 1.00 0.00 H new ATOM 0 HA ASP A 36 -19.705 6.021 -23.032 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -19.590 8.731 -21.663 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -20.865 8.108 -22.691 1.00 0.00 H new ATOM 508 N CYS A 37 -17.017 7.137 -23.678 1.00 0.00 N ATOM 509 CA CYS A 37 -16.094 7.720 -24.645 1.00 0.00 C ATOM 510 C CYS A 37 -15.653 6.681 -25.671 1.00 0.00 C ATOM 511 O CYS A 37 -15.589 6.962 -26.867 1.00 0.00 O ATOM 512 CB CYS A 37 -14.872 8.298 -23.929 1.00 0.00 C ATOM 513 SG CYS A 37 -13.691 7.041 -23.342 1.00 0.00 S ATOM 0 H CYS A 37 -16.601 6.429 -23.072 1.00 0.00 H new ATOM 0 HA CYS A 37 -16.614 8.523 -25.168 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -14.355 8.978 -24.606 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -15.209 8.890 -23.078 1.00 0.00 H new ATOM 0 HG CYS A 37 -12.699 6.954 -24.177 1.00 0.00 H new ATOM 518 N GLY A 38 -15.349 5.477 -25.193 1.00 0.00 N ATOM 519 CA GLY A 38 -14.918 4.414 -26.082 1.00 0.00 C ATOM 520 C GLY A 38 -13.539 3.891 -25.732 1.00 0.00 C ATOM 521 O GLY A 38 -12.778 3.488 -26.613 1.00 0.00 O ATOM 0 H GLY A 38 -15.394 5.220 -24.207 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.636 3.595 -26.039 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.915 4.781 -27.108 1.00 0.00 H new ATOM 525 N HIS A 39 -13.214 3.898 -24.443 1.00 0.00 N ATOM 526 CA HIS A 39 -11.916 3.421 -23.980 1.00 0.00 C ATOM 527 C HIS A 39 -12.046 2.714 -22.633 1.00 0.00 C ATOM 528 O HIS A 39 -12.669 3.233 -21.707 1.00 0.00 O ATOM 529 CB HIS A 39 -10.932 4.585 -23.865 1.00 0.00 C ATOM 530 CG HIS A 39 -10.668 5.277 -25.167 1.00 0.00 C ATOM 531 ND1 HIS A 39 -10.946 6.611 -25.380 1.00 0.00 N ATOM 532 CD2 HIS A 39 -10.148 4.813 -26.327 1.00 0.00 C ATOM 533 CE1 HIS A 39 -10.609 6.937 -26.615 1.00 0.00 C ATOM 534 NE2 HIS A 39 -10.121 5.863 -27.211 1.00 0.00 N ATOM 0 H HIS A 39 -13.831 4.229 -23.701 1.00 0.00 H new ATOM 0 HA HIS A 39 -11.537 2.707 -24.711 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -11.321 5.310 -23.150 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.989 4.215 -23.462 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.816 3.804 -26.521 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -10.714 7.915 -27.062 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.780 5.821 -28.171 1.00 0.00 H new ATOM 542 N SER A 40 -11.454 1.529 -22.533 1.00 0.00 N ATOM 543 CA SER A 40 -11.507 0.749 -21.302 1.00 0.00 C ATOM 544 C SER A 40 -10.267 0.996 -20.448 1.00 0.00 C ATOM 545 O SER A 40 -9.227 1.422 -20.952 1.00 0.00 O ATOM 546 CB SER A 40 -11.632 -0.741 -21.622 1.00 0.00 C ATOM 547 OG SER A 40 -12.351 -0.946 -22.826 1.00 0.00 O ATOM 0 H SER A 40 -10.932 1.087 -23.290 1.00 0.00 H new ATOM 0 HA SER A 40 -12.384 1.066 -20.738 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.639 -1.182 -21.708 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.137 -1.251 -20.802 1.00 0.00 H new ATOM 0 HG SER A 40 -12.415 -1.907 -23.009 1.00 0.00 H new ATOM 553 N PHE A 41 -10.384 0.724 -19.153 1.00 0.00 N ATOM 554 CA PHE A 41 -9.274 0.917 -18.228 1.00 0.00 C ATOM 555 C PHE A 41 -9.410 0.000 -17.015 1.00 0.00 C ATOM 556 O PHE A 41 -10.384 -0.743 -16.891 1.00 0.00 O ATOM 557 CB PHE A 41 -9.209 2.377 -17.772 1.00 0.00 C ATOM 558 CG PHE A 41 -9.119 3.355 -18.908 1.00 0.00 C ATOM 559 CD1 PHE A 41 -10.249 3.702 -19.632 1.00 0.00 C ATOM 560 CD2 PHE A 41 -7.906 3.929 -19.252 1.00 0.00 C ATOM 561 CE1 PHE A 41 -10.169 4.602 -20.678 1.00 0.00 C ATOM 562 CE2 PHE A 41 -7.820 4.829 -20.297 1.00 0.00 C ATOM 563 CZ PHE A 41 -8.953 5.167 -21.010 1.00 0.00 C ATOM 0 H PHE A 41 -11.237 0.369 -18.720 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.351 0.665 -18.751 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.094 2.603 -17.177 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.345 2.508 -17.121 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -11.203 3.264 -19.376 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -7.017 3.670 -18.697 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -11.056 4.863 -21.235 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -6.868 5.268 -20.556 1.00 0.00 H new ATOM 0 HZ PHE A 41 -8.889 5.872 -21.826 1.00 0.00 H new ATOM 573 N CYS A 42 -8.427 0.058 -16.124 1.00 0.00 N ATOM 574 CA CYS A 42 -8.435 -0.766 -14.921 1.00 0.00 C ATOM 575 C CYS A 42 -9.216 -0.087 -13.801 1.00 0.00 C ATOM 576 O CYS A 42 -9.079 1.115 -13.576 1.00 0.00 O ATOM 577 CB CYS A 42 -7.003 -1.048 -14.461 1.00 0.00 C ATOM 578 SG CYS A 42 -6.006 -1.985 -15.664 1.00 0.00 S ATOM 0 H CYS A 42 -7.614 0.667 -16.212 1.00 0.00 H new ATOM 0 HA CYS A 42 -8.925 -1.710 -15.161 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -6.506 -0.100 -14.253 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -7.037 -1.602 -13.523 1.00 0.00 H new ATOM 0 HG CYS A 42 -5.488 -1.166 -16.530 1.00 0.00 H new ATOM 583 N GLN A 43 -10.035 -0.866 -13.101 1.00 0.00 N ATOM 584 CA GLN A 43 -10.838 -0.339 -12.004 1.00 0.00 C ATOM 585 C GLN A 43 -9.984 0.496 -11.056 1.00 0.00 C ATOM 586 O GLN A 43 -10.496 1.353 -10.336 1.00 0.00 O ATOM 587 CB GLN A 43 -11.504 -1.483 -11.237 1.00 0.00 C ATOM 588 CG GLN A 43 -12.174 -1.040 -9.946 1.00 0.00 C ATOM 589 CD GLN A 43 -13.511 -0.365 -10.183 1.00 0.00 C ATOM 590 OE1 GLN A 43 -13.482 0.943 -10.407 1.00 0.00 O flip ATOM 591 NE2 GLN A 43 -14.558 -1.013 -10.166 1.00 0.00 N flip ATOM 0 H GLN A 43 -10.160 -1.863 -13.274 1.00 0.00 H new ATOM 0 HA GLN A 43 -11.610 0.303 -12.428 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -12.247 -1.956 -11.879 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.754 -2.240 -11.007 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -12.318 -1.906 -9.300 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.514 -0.354 -9.416 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -14.533 -2.017 -9.990 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -15.450 -0.545 -10.328 1.00 0.00 H new ATOM 600 N ALA A 44 -8.680 0.239 -11.060 1.00 0.00 N ATOM 601 CA ALA A 44 -7.755 0.968 -10.202 1.00 0.00 C ATOM 602 C ALA A 44 -7.107 2.127 -10.952 1.00 0.00 C ATOM 603 O ALA A 44 -7.211 3.283 -10.540 1.00 0.00 O ATOM 604 CB ALA A 44 -6.690 0.029 -9.656 1.00 0.00 C ATOM 0 H ALA A 44 -8.241 -0.469 -11.648 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.322 1.381 -9.368 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.006 0.587 -9.017 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.165 -0.762 -9.076 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.135 -0.412 -10.484 1.00 0.00 H new ATOM 610 N CYS A 45 -6.437 1.811 -12.055 1.00 0.00 N ATOM 611 CA CYS A 45 -5.771 2.825 -12.863 1.00 0.00 C ATOM 612 C CYS A 45 -6.663 4.050 -13.042 1.00 0.00 C ATOM 613 O CYS A 45 -6.187 5.186 -13.022 1.00 0.00 O ATOM 614 CB CYS A 45 -5.393 2.251 -14.230 1.00 0.00 C ATOM 615 SG CYS A 45 -4.127 0.943 -14.163 1.00 0.00 S ATOM 0 H CYS A 45 -6.341 0.860 -12.410 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.864 3.131 -12.342 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.289 1.851 -14.704 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.031 3.060 -14.864 1.00 0.00 H new ATOM 0 HG CYS A 45 -4.545 -0.100 -14.818 1.00 0.00 H new ATOM 620 N LEU A 46 -7.958 3.812 -13.217 1.00 0.00 N ATOM 621 CA LEU A 46 -8.917 4.895 -13.400 1.00 0.00 C ATOM 622 C LEU A 46 -9.013 5.755 -12.144 1.00 0.00 C ATOM 623 O LEU A 46 -9.042 6.984 -12.220 1.00 0.00 O ATOM 624 CB LEU A 46 -10.295 4.329 -13.750 1.00 0.00 C ATOM 625 CG LEU A 46 -10.620 4.230 -15.241 1.00 0.00 C ATOM 626 CD1 LEU A 46 -11.672 3.160 -15.488 1.00 0.00 C ATOM 627 CD2 LEU A 46 -11.090 5.575 -15.774 1.00 0.00 C ATOM 0 H LEU A 46 -8.368 2.878 -13.236 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.568 5.521 -14.221 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.379 3.334 -13.313 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.053 4.951 -13.274 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.712 3.947 -15.774 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.891 3.104 -16.554 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.298 2.196 -15.143 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.582 3.412 -14.944 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.317 5.486 -16.836 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.986 5.887 -15.236 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.305 6.317 -15.632 1.00 0.00 H new ATOM 639 N THR A 47 -9.060 5.101 -10.987 1.00 0.00 N ATOM 640 CA THR A 47 -9.151 5.805 -9.714 1.00 0.00 C ATOM 641 C THR A 47 -7.899 6.636 -9.454 1.00 0.00 C ATOM 642 O THR A 47 -7.984 7.792 -9.042 1.00 0.00 O ATOM 643 CB THR A 47 -9.355 4.826 -8.543 1.00 0.00 C ATOM 644 OG1 THR A 47 -10.577 4.099 -8.720 1.00 0.00 O ATOM 645 CG2 THR A 47 -9.388 5.568 -7.216 1.00 0.00 C ATOM 0 H THR A 47 -9.037 4.085 -10.906 1.00 0.00 H new ATOM 0 HA THR A 47 -10.015 6.466 -9.780 1.00 0.00 H new ATOM 0 HB THR A 47 -8.517 4.130 -8.530 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.398 3.275 -9.219 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.533 4.855 -6.404 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.446 6.096 -7.071 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.209 6.285 -7.220 1.00 0.00 H new ATOM 653 N ALA A 48 -6.737 6.038 -9.699 1.00 0.00 N ATOM 654 CA ALA A 48 -5.468 6.724 -9.494 1.00 0.00 C ATOM 655 C ALA A 48 -5.272 7.835 -10.520 1.00 0.00 C ATOM 656 O ALA A 48 -4.838 8.935 -10.182 1.00 0.00 O ATOM 657 CB ALA A 48 -4.315 5.733 -9.560 1.00 0.00 C ATOM 0 H ALA A 48 -6.649 5.081 -10.039 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.486 7.179 -8.504 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.373 6.260 -9.405 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.440 4.977 -8.785 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.305 5.251 -10.538 1.00 0.00 H new ATOM 663 N ASN A 49 -5.594 7.539 -11.775 1.00 0.00 N ATOM 664 CA ASN A 49 -5.452 8.513 -12.851 1.00 0.00 C ATOM 665 C ASN A 49 -6.306 9.748 -12.583 1.00 0.00 C ATOM 666 O ASN A 49 -5.826 10.879 -12.673 1.00 0.00 O ATOM 667 CB ASN A 49 -5.848 7.886 -14.190 1.00 0.00 C ATOM 668 CG ASN A 49 -5.459 8.754 -15.371 1.00 0.00 C ATOM 669 OD1 ASN A 49 -6.450 9.367 -16.006 1.00 0.00 O flip ATOM 670 ND2 ASN A 49 -4.280 8.870 -15.709 1.00 0.00 N flip ATOM 0 H ASN A 49 -5.955 6.632 -12.072 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.407 8.819 -12.895 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.371 6.911 -14.287 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.925 7.718 -14.205 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.550 8.380 -15.191 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.033 9.456 -16.507 1.00 0.00 H new ATOM 677 N HIS A 50 -7.573 9.524 -12.251 1.00 0.00 N ATOM 678 CA HIS A 50 -8.494 10.619 -11.968 1.00 0.00 C ATOM 679 C HIS A 50 -7.864 11.625 -11.009 1.00 0.00 C ATOM 680 O HIS A 50 -7.839 12.826 -11.280 1.00 0.00 O ATOM 681 CB HIS A 50 -9.796 10.078 -11.376 1.00 0.00 C ATOM 682 CG HIS A 50 -10.578 9.226 -12.327 1.00 0.00 C ATOM 683 ND1 HIS A 50 -10.495 9.094 -13.672 1.00 0.00 N flip ATOM 684 CD2 HIS A 50 -11.588 8.378 -11.922 1.00 0.00 C flip ATOM 685 CE1 HIS A 50 -11.445 8.178 -14.051 1.00 0.00 C flip ATOM 686 NE2 HIS A 50 -12.090 7.761 -12.976 1.00 0.00 N flip ATOM 0 H HIS A 50 -7.986 8.595 -12.171 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.714 11.128 -12.907 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -9.565 9.495 -10.484 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.416 10.916 -11.057 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -9.847 9.584 -14.289 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -11.917 8.240 -10.902 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -11.634 7.852 -15.063 1.00 0.00 H new ATOM 694 N LYS A 51 -7.357 11.127 -9.887 1.00 0.00 N ATOM 695 CA LYS A 51 -6.726 11.980 -8.887 1.00 0.00 C ATOM 696 C LYS A 51 -5.615 12.819 -9.510 1.00 0.00 C ATOM 697 O LYS A 51 -5.409 13.973 -9.135 1.00 0.00 O ATOM 698 CB LYS A 51 -6.161 11.132 -7.745 1.00 0.00 C ATOM 699 CG LYS A 51 -7.226 10.576 -6.816 1.00 0.00 C ATOM 700 CD LYS A 51 -6.745 9.322 -6.104 1.00 0.00 C ATOM 701 CE LYS A 51 -7.909 8.425 -5.710 1.00 0.00 C ATOM 702 NZ LYS A 51 -7.442 7.137 -5.125 1.00 0.00 N ATOM 0 H LYS A 51 -7.371 10.136 -9.647 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.486 12.653 -8.489 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.590 10.304 -8.166 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.464 11.737 -7.165 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.498 11.332 -6.079 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.126 10.349 -7.387 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.064 8.772 -6.753 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.181 9.601 -5.214 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.540 8.944 -4.989 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.526 8.224 -6.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.264 6.561 -4.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.875 6.622 -5.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.861 7.328 -4.284 1.00 0.00 H new ATOM 716 N LYS A 52 -4.901 12.231 -10.464 1.00 0.00 N ATOM 717 CA LYS A 52 -3.812 12.924 -11.142 1.00 0.00 C ATOM 718 C LYS A 52 -4.282 14.265 -11.697 1.00 0.00 C ATOM 719 O LYS A 52 -3.749 15.316 -11.341 1.00 0.00 O ATOM 720 CB LYS A 52 -3.256 12.058 -12.275 1.00 0.00 C ATOM 721 CG LYS A 52 -1.757 12.204 -12.472 1.00 0.00 C ATOM 722 CD LYS A 52 -1.432 13.246 -13.530 1.00 0.00 C ATOM 723 CE LYS A 52 -1.171 14.609 -12.907 1.00 0.00 C ATOM 724 NZ LYS A 52 -0.309 15.459 -13.774 1.00 0.00 N ATOM 0 H LYS A 52 -5.057 11.276 -10.785 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.023 13.109 -10.413 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.487 11.013 -12.069 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.763 12.320 -13.204 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.291 12.485 -11.528 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.332 11.243 -12.764 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.556 12.930 -14.097 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.259 13.320 -14.236 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.120 15.115 -12.730 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.693 14.479 -11.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.154 16.379 -13.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.606 14.988 -13.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.776 15.604 -14.692 1.00 0.00 H new ATOM 738 N SER A 53 -5.284 14.221 -12.570 1.00 0.00 N ATOM 739 CA SER A 53 -5.824 15.433 -13.175 1.00 0.00 C ATOM 740 C SER A 53 -6.769 16.146 -12.213 1.00 0.00 C ATOM 741 O SER A 53 -7.810 16.663 -12.617 1.00 0.00 O ATOM 742 CB SER A 53 -6.559 15.095 -14.474 1.00 0.00 C ATOM 743 OG SER A 53 -7.481 14.037 -14.278 1.00 0.00 O ATOM 0 H SER A 53 -5.738 13.360 -12.874 1.00 0.00 H new ATOM 0 HA SER A 53 -4.992 16.100 -13.399 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.085 15.977 -14.838 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.837 14.815 -15.242 1.00 0.00 H new ATOM 0 HG SER A 53 -7.699 13.629 -15.142 1.00 0.00 H new ATOM 749 N MET A 54 -6.398 16.169 -10.937 1.00 0.00 N ATOM 750 CA MET A 54 -7.211 16.819 -9.916 1.00 0.00 C ATOM 751 C MET A 54 -6.426 17.924 -9.218 1.00 0.00 C ATOM 752 O MET A 54 -7.007 18.812 -8.592 1.00 0.00 O ATOM 753 CB MET A 54 -7.695 15.794 -8.889 1.00 0.00 C ATOM 754 CG MET A 54 -8.908 16.253 -8.097 1.00 0.00 C ATOM 755 SD MET A 54 -9.938 14.880 -7.544 1.00 0.00 S ATOM 756 CE MET A 54 -10.692 14.379 -9.090 1.00 0.00 C ATOM 0 H MET A 54 -5.539 15.745 -10.586 1.00 0.00 H new ATOM 0 HA MET A 54 -8.076 17.266 -10.407 1.00 0.00 H new ATOM 0 HB2 MET A 54 -7.938 14.864 -9.403 1.00 0.00 H new ATOM 0 HB3 MET A 54 -6.882 15.573 -8.197 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.576 16.825 -7.230 1.00 0.00 H new ATOM 0 HG3 MET A 54 -9.506 16.925 -8.713 1.00 0.00 H new ATOM 0 HE1 MET A 54 -11.463 13.634 -8.894 1.00 0.00 H new ATOM 0 HE2 MET A 54 -11.141 15.247 -9.574 1.00 0.00 H new ATOM 0 HE3 MET A 54 -9.932 13.952 -9.744 1.00 0.00 H new ATOM 766 N LEU A 55 -5.103 17.864 -9.328 1.00 0.00 N ATOM 767 CA LEU A 55 -4.238 18.860 -8.706 1.00 0.00 C ATOM 768 C LEU A 55 -3.899 19.976 -9.689 1.00 0.00 C ATOM 769 O LEU A 55 -3.772 21.139 -9.304 1.00 0.00 O ATOM 770 CB LEU A 55 -2.953 18.203 -8.200 1.00 0.00 C ATOM 771 CG LEU A 55 -3.133 17.010 -7.260 1.00 0.00 C ATOM 772 CD1 LEU A 55 -3.197 15.713 -8.051 1.00 0.00 C ATOM 773 CD2 LEU A 55 -2.006 16.960 -6.239 1.00 0.00 C ATOM 0 H LEU A 55 -4.606 17.136 -9.842 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.773 19.294 -7.862 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.372 17.876 -9.062 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.361 18.959 -7.685 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.075 17.132 -6.725 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.325 14.875 -7.366 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.039 15.749 -8.742 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.272 15.584 -8.613 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.151 16.105 -5.579 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.051 16.862 -6.756 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.008 17.877 -5.650 1.00 0.00 H new ATOM 785 N ASP A 56 -3.756 19.616 -10.959 1.00 0.00 N ATOM 786 CA ASP A 56 -3.435 20.587 -11.999 1.00 0.00 C ATOM 787 C ASP A 56 -4.660 21.424 -12.357 1.00 0.00 C ATOM 788 O ASP A 56 -4.598 22.653 -12.386 1.00 0.00 O ATOM 789 CB ASP A 56 -2.906 19.876 -13.245 1.00 0.00 C ATOM 790 CG ASP A 56 -2.245 20.831 -14.220 1.00 0.00 C ATOM 791 OD1 ASP A 56 -1.105 21.263 -13.947 1.00 0.00 O ATOM 792 OD2 ASP A 56 -2.867 21.147 -15.255 1.00 0.00 O ATOM 0 H ASP A 56 -3.857 18.658 -11.294 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.662 21.252 -11.615 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.188 19.112 -12.947 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.728 19.363 -13.744 1.00 0.00 H new ATOM 797 N LYS A 57 -5.772 20.750 -12.629 1.00 0.00 N ATOM 798 CA LYS A 57 -7.011 21.431 -12.985 1.00 0.00 C ATOM 799 C LYS A 57 -8.123 21.087 -11.998 1.00 0.00 C ATOM 800 O LYS A 57 -8.786 21.974 -11.462 1.00 0.00 O ATOM 801 CB LYS A 57 -7.438 21.048 -14.404 1.00 0.00 C ATOM 802 CG LYS A 57 -7.316 19.562 -14.696 1.00 0.00 C ATOM 803 CD LYS A 57 -7.315 19.286 -16.190 1.00 0.00 C ATOM 804 CE LYS A 57 -8.710 19.417 -16.782 1.00 0.00 C ATOM 805 NZ LYS A 57 -9.465 18.136 -16.711 1.00 0.00 N ATOM 0 H LYS A 57 -5.841 19.732 -12.610 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.831 22.505 -12.944 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.472 21.356 -14.559 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.830 21.601 -15.119 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.397 19.177 -14.253 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.143 19.029 -14.227 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.640 19.981 -16.689 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.933 18.282 -16.375 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.260 20.192 -16.248 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.635 19.737 -17.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.438 18.287 -17.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.999 17.425 -17.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.486 17.800 -15.727 1.00 0.00 H new ATOM 819 N GLY A 58 -8.320 19.793 -11.762 1.00 0.00 N ATOM 820 CA GLY A 58 -9.352 19.356 -10.840 1.00 0.00 C ATOM 821 C GLY A 58 -10.212 18.248 -11.414 1.00 0.00 C ATOM 822 O GLY A 58 -10.173 17.114 -10.937 1.00 0.00 O ATOM 0 H GLY A 58 -7.783 19.040 -12.193 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.887 19.009 -9.917 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.985 20.204 -10.579 1.00 0.00 H new ATOM 826 N GLU A 59 -10.991 18.577 -12.439 1.00 0.00 N ATOM 827 CA GLU A 59 -11.867 17.600 -13.076 1.00 0.00 C ATOM 828 C GLU A 59 -11.054 16.556 -13.837 1.00 0.00 C ATOM 829 O GLU A 59 -10.112 16.890 -14.556 1.00 0.00 O ATOM 830 CB GLU A 59 -12.839 18.298 -14.029 1.00 0.00 C ATOM 831 CG GLU A 59 -14.137 18.730 -13.366 1.00 0.00 C ATOM 832 CD GLU A 59 -15.234 19.027 -14.369 1.00 0.00 C ATOM 833 OE1 GLU A 59 -14.906 19.440 -15.501 1.00 0.00 O ATOM 834 OE2 GLU A 59 -16.420 18.848 -14.022 1.00 0.00 O ATOM 0 H GLU A 59 -11.034 19.511 -12.846 1.00 0.00 H new ATOM 0 HA GLU A 59 -12.435 17.095 -12.294 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.350 19.174 -14.456 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.069 17.626 -14.856 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.473 17.945 -12.688 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.953 19.618 -12.761 1.00 0.00 H new ATOM 841 N SER A 60 -11.425 15.290 -13.672 1.00 0.00 N ATOM 842 CA SER A 60 -10.728 14.196 -14.339 1.00 0.00 C ATOM 843 C SER A 60 -11.402 13.851 -15.664 1.00 0.00 C ATOM 844 O SER A 60 -12.573 14.166 -15.878 1.00 0.00 O ATOM 845 CB SER A 60 -10.691 12.962 -13.436 1.00 0.00 C ATOM 846 OG SER A 60 -10.428 11.789 -14.186 1.00 0.00 O ATOM 0 H SER A 60 -12.204 14.997 -13.082 1.00 0.00 H new ATOM 0 HA SER A 60 -9.707 14.518 -14.544 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.923 13.089 -12.673 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.644 12.859 -12.916 1.00 0.00 H new ATOM 0 HG SER A 60 -10.900 11.031 -13.783 1.00 0.00 H new ATOM 852 N SER A 61 -10.653 13.202 -16.549 1.00 0.00 N ATOM 853 CA SER A 61 -11.175 12.817 -17.855 1.00 0.00 C ATOM 854 C SER A 61 -10.324 11.714 -18.477 1.00 0.00 C ATOM 855 O SER A 61 -9.154 11.546 -18.130 1.00 0.00 O ATOM 856 CB SER A 61 -11.220 14.029 -18.788 1.00 0.00 C ATOM 857 OG SER A 61 -11.988 15.078 -18.225 1.00 0.00 O ATOM 0 H SER A 61 -9.683 12.932 -16.386 1.00 0.00 H new ATOM 0 HA SER A 61 -12.187 12.437 -17.716 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.207 14.380 -18.982 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.646 13.737 -19.748 1.00 0.00 H new ATOM 0 HG SER A 61 -12.536 14.726 -17.493 1.00 0.00 H new ATOM 863 N CYS A 62 -10.919 10.963 -19.397 1.00 0.00 N ATOM 864 CA CYS A 62 -10.218 9.875 -20.068 1.00 0.00 C ATOM 865 C CYS A 62 -8.810 10.302 -20.471 1.00 0.00 C ATOM 866 O CYS A 62 -8.614 11.264 -21.213 1.00 0.00 O ATOM 867 CB CYS A 62 -10.999 9.423 -21.304 1.00 0.00 C ATOM 868 SG CYS A 62 -10.194 8.086 -22.244 1.00 0.00 S ATOM 0 H CYS A 62 -11.886 11.088 -19.695 1.00 0.00 H new ATOM 0 HA CYS A 62 -10.140 9.041 -19.370 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -11.989 9.089 -20.993 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -11.144 10.279 -21.962 1.00 0.00 H new ATOM 0 HG CYS A 62 -10.103 7.025 -21.498 1.00 0.00 H new ATOM 873 N PRO A 63 -7.804 9.569 -19.970 1.00 0.00 N ATOM 874 CA PRO A 63 -6.396 9.852 -20.264 1.00 0.00 C ATOM 875 C PRO A 63 -6.032 9.541 -21.712 1.00 0.00 C ATOM 876 O PRO A 63 -4.864 9.601 -22.096 1.00 0.00 O ATOM 877 CB PRO A 63 -5.641 8.923 -19.311 1.00 0.00 C ATOM 878 CG PRO A 63 -6.587 7.804 -19.044 1.00 0.00 C ATOM 879 CD PRO A 63 -7.963 8.408 -19.078 1.00 0.00 C ATOM 0 HA PRO A 63 -6.156 10.907 -20.132 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.716 8.561 -19.761 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.367 9.438 -18.390 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -6.486 7.020 -19.795 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.386 7.346 -18.076 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.701 7.704 -19.462 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.295 8.707 -18.084 1.00 0.00 H new ATOM 887 N VAL A 64 -7.040 9.208 -22.512 1.00 0.00 N ATOM 888 CA VAL A 64 -6.827 8.889 -23.918 1.00 0.00 C ATOM 889 C VAL A 64 -7.463 9.938 -24.823 1.00 0.00 C ATOM 890 O VAL A 64 -6.879 10.344 -25.828 1.00 0.00 O ATOM 891 CB VAL A 64 -7.401 7.504 -24.273 1.00 0.00 C ATOM 892 CG1 VAL A 64 -7.163 7.187 -25.741 1.00 0.00 C ATOM 893 CG2 VAL A 64 -6.794 6.432 -23.382 1.00 0.00 C ATOM 0 H VAL A 64 -8.013 9.152 -22.210 1.00 0.00 H new ATOM 0 HA VAL A 64 -5.749 8.880 -24.080 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.477 7.521 -24.100 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.575 6.205 -25.973 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.651 7.940 -26.360 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.092 7.188 -25.944 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.211 5.460 -23.647 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.713 6.413 -23.520 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.023 6.653 -22.339 1.00 0.00 H new ATOM 903 N CYS A 65 -8.664 10.374 -24.460 1.00 0.00 N ATOM 904 CA CYS A 65 -9.382 11.377 -25.238 1.00 0.00 C ATOM 905 C CYS A 65 -9.909 12.490 -24.336 1.00 0.00 C ATOM 906 O CYS A 65 -10.221 13.585 -24.803 1.00 0.00 O ATOM 907 CB CYS A 65 -10.540 10.729 -25.998 1.00 0.00 C ATOM 908 SG CYS A 65 -11.843 10.043 -24.926 1.00 0.00 S ATOM 0 H CYS A 65 -9.161 10.048 -23.631 1.00 0.00 H new ATOM 0 HA CYS A 65 -8.686 11.813 -25.954 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -10.984 11.470 -26.662 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -10.146 9.932 -26.628 1.00 0.00 H new ATOM 0 HG CYS A 65 -11.299 9.347 -23.972 1.00 0.00 H new ATOM 913 N ARG A 66 -10.006 12.200 -23.043 1.00 0.00 N ATOM 914 CA ARG A 66 -10.497 13.175 -22.076 1.00 0.00 C ATOM 915 C ARG A 66 -11.941 13.563 -22.381 1.00 0.00 C ATOM 916 O ARG A 66 -12.269 14.746 -22.476 1.00 0.00 O ATOM 917 CB ARG A 66 -9.610 14.421 -22.082 1.00 0.00 C ATOM 918 CG ARG A 66 -8.127 14.115 -21.954 1.00 0.00 C ATOM 919 CD ARG A 66 -7.697 14.045 -20.497 1.00 0.00 C ATOM 920 NE ARG A 66 -6.276 14.339 -20.331 1.00 0.00 N ATOM 921 CZ ARG A 66 -5.794 15.566 -20.163 1.00 0.00 C ATOM 922 NH1 ARG A 66 -6.615 16.606 -20.138 1.00 0.00 N ATOM 923 NH2 ARG A 66 -4.488 15.753 -20.019 1.00 0.00 N ATOM 0 H ARG A 66 -9.751 11.298 -22.640 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.463 12.718 -21.087 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.780 14.973 -23.007 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.910 15.074 -21.262 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.906 13.168 -22.446 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.550 14.883 -22.468 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.284 14.752 -19.911 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.910 13.051 -20.104 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.618 13.560 -20.345 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.619 16.466 -20.248 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.243 17.547 -20.009 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.853 14.955 -20.037 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.119 16.695 -19.890 1.00 0.00 H new ATOM 937 N ILE A 67 -12.798 12.560 -22.532 1.00 0.00 N ATOM 938 CA ILE A 67 -14.207 12.796 -22.825 1.00 0.00 C ATOM 939 C ILE A 67 -14.856 13.653 -21.743 1.00 0.00 C ATOM 940 O ILE A 67 -14.394 13.688 -20.603 1.00 0.00 O ATOM 941 CB ILE A 67 -14.985 11.474 -22.953 1.00 0.00 C ATOM 942 CG1 ILE A 67 -16.304 11.703 -23.693 1.00 0.00 C ATOM 943 CG2 ILE A 67 -15.240 10.874 -21.578 1.00 0.00 C ATOM 944 CD1 ILE A 67 -16.123 12.132 -25.133 1.00 0.00 C ATOM 0 H ILE A 67 -12.542 11.576 -22.456 1.00 0.00 H new ATOM 0 HA ILE A 67 -14.248 13.324 -23.778 1.00 0.00 H new ATOM 0 HB ILE A 67 -14.384 10.770 -23.529 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -16.890 10.784 -23.667 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -16.880 12.463 -23.166 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -15.791 9.940 -21.685 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -14.288 10.679 -21.084 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -15.824 11.573 -20.979 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -17.100 12.276 -25.595 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -15.564 13.067 -25.167 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -15.575 11.362 -25.676 1.00 0.00 H new ATOM 956 N SER A 68 -15.933 14.342 -22.109 1.00 0.00 N ATOM 957 CA SER A 68 -16.646 15.200 -21.171 1.00 0.00 C ATOM 958 C SER A 68 -17.557 14.377 -20.265 1.00 0.00 C ATOM 959 O SER A 68 -18.714 14.120 -20.598 1.00 0.00 O ATOM 960 CB SER A 68 -17.469 16.245 -21.927 1.00 0.00 C ATOM 961 OG SER A 68 -18.457 15.629 -22.734 1.00 0.00 O ATOM 0 H SER A 68 -16.330 14.322 -23.048 1.00 0.00 H new ATOM 0 HA SER A 68 -15.908 15.708 -20.550 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.945 16.921 -21.217 1.00 0.00 H new ATOM 0 HB3 SER A 68 -16.810 16.850 -22.551 1.00 0.00 H new ATOM 0 HG SER A 68 -18.914 14.933 -22.218 1.00 0.00 H new ATOM 967 N TYR A 69 -17.026 13.965 -19.119 1.00 0.00 N ATOM 968 CA TYR A 69 -17.789 13.169 -18.166 1.00 0.00 C ATOM 969 C TYR A 69 -17.142 13.204 -16.785 1.00 0.00 C ATOM 970 O TYR A 69 -16.034 13.714 -16.620 1.00 0.00 O ATOM 971 CB TYR A 69 -17.901 11.723 -18.652 1.00 0.00 C ATOM 972 CG TYR A 69 -16.694 10.876 -18.317 1.00 0.00 C ATOM 973 CD1 TYR A 69 -15.406 11.346 -18.543 1.00 0.00 C ATOM 974 CD2 TYR A 69 -16.841 9.606 -17.772 1.00 0.00 C ATOM 975 CE1 TYR A 69 -14.301 10.576 -18.239 1.00 0.00 C ATOM 976 CE2 TYR A 69 -15.741 8.830 -17.463 1.00 0.00 C ATOM 977 CZ TYR A 69 -14.473 9.318 -17.699 1.00 0.00 C ATOM 978 OH TYR A 69 -13.374 8.549 -17.393 1.00 0.00 O ATOM 0 H TYR A 69 -16.070 14.169 -18.828 1.00 0.00 H new ATOM 0 HA TYR A 69 -18.788 13.599 -18.090 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -18.788 11.268 -18.210 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -18.047 11.722 -19.732 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -15.267 12.331 -18.964 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -17.832 9.219 -17.587 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -13.307 10.956 -18.423 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -15.873 7.846 -17.039 1.00 0.00 H new ATOM 0 HH TYR A 69 -13.668 7.692 -17.020 1.00 0.00 H new ATOM 988 N GLN A 70 -17.843 12.658 -15.796 1.00 0.00 N ATOM 989 CA GLN A 70 -17.337 12.627 -14.429 1.00 0.00 C ATOM 990 C GLN A 70 -16.941 11.210 -14.027 1.00 0.00 C ATOM 991 O GLN A 70 -17.523 10.225 -14.480 1.00 0.00 O ATOM 992 CB GLN A 70 -18.390 13.169 -13.461 1.00 0.00 C ATOM 993 CG GLN A 70 -18.499 14.685 -13.467 1.00 0.00 C ATOM 994 CD GLN A 70 -19.616 15.194 -12.577 1.00 0.00 C ATOM 995 OE1 GLN A 70 -20.770 14.789 -12.717 1.00 0.00 O ATOM 996 NE2 GLN A 70 -19.278 16.086 -11.653 1.00 0.00 N ATOM 0 H GLN A 70 -18.762 12.232 -15.916 1.00 0.00 H new ATOM 0 HA GLN A 70 -16.450 13.259 -14.382 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -19.360 12.742 -13.716 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -18.150 12.834 -12.452 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -17.553 15.115 -13.138 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -18.667 15.029 -14.487 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -18.309 16.394 -11.572 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -19.987 16.463 -11.024 1.00 0.00 H new ATOM 1005 N PRO A 71 -15.926 11.103 -13.156 1.00 0.00 N ATOM 1006 CA PRO A 71 -15.430 9.811 -12.674 1.00 0.00 C ATOM 1007 C PRO A 71 -16.424 9.116 -11.751 1.00 0.00 C ATOM 1008 O PRO A 71 -16.520 7.889 -11.738 1.00 0.00 O ATOM 1009 CB PRO A 71 -14.158 10.183 -11.907 1.00 0.00 C ATOM 1010 CG PRO A 71 -14.370 11.596 -11.485 1.00 0.00 C ATOM 1011 CD PRO A 71 -15.186 12.236 -12.575 1.00 0.00 C ATOM 0 HA PRO A 71 -15.262 9.109 -13.491 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -14.010 9.531 -11.046 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.273 10.086 -12.537 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -14.891 11.644 -10.529 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -13.418 12.112 -11.356 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -15.860 12.996 -12.179 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -14.554 12.725 -13.316 1.00 0.00 H new ATOM 1019 N GLU A 72 -17.163 9.908 -10.980 1.00 0.00 N ATOM 1020 CA GLU A 72 -18.150 9.367 -10.053 1.00 0.00 C ATOM 1021 C GLU A 72 -19.366 8.831 -10.805 1.00 0.00 C ATOM 1022 O GLU A 72 -20.054 7.929 -10.330 1.00 0.00 O ATOM 1023 CB GLU A 72 -18.587 10.440 -9.054 1.00 0.00 C ATOM 1024 CG GLU A 72 -17.665 10.566 -7.853 1.00 0.00 C ATOM 1025 CD GLU A 72 -17.431 9.240 -7.156 1.00 0.00 C ATOM 1026 OE1 GLU A 72 -18.379 8.430 -7.090 1.00 0.00 O ATOM 1027 OE2 GLU A 72 -16.301 9.012 -6.677 1.00 0.00 O ATOM 0 H GLU A 72 -17.097 10.926 -10.979 1.00 0.00 H new ATOM 0 HA GLU A 72 -17.687 8.543 -9.510 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -18.637 11.401 -9.565 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -19.594 10.211 -8.706 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -16.708 10.976 -8.176 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -18.093 11.275 -7.144 1.00 0.00 H new ATOM 1034 N ASN A 73 -19.623 9.395 -11.981 1.00 0.00 N ATOM 1035 CA ASN A 73 -20.755 8.976 -12.798 1.00 0.00 C ATOM 1036 C ASN A 73 -20.389 7.769 -13.657 1.00 0.00 C ATOM 1037 O ASN A 73 -20.626 7.760 -14.865 1.00 0.00 O ATOM 1038 CB ASN A 73 -21.221 10.128 -13.691 1.00 0.00 C ATOM 1039 CG ASN A 73 -22.704 10.055 -14.001 1.00 0.00 C ATOM 1040 OD1 ASN A 73 -23.490 9.531 -13.212 1.00 0.00 O ATOM 1041 ND2 ASN A 73 -23.092 10.583 -15.157 1.00 0.00 N ATOM 0 H ASN A 73 -19.062 10.143 -12.389 1.00 0.00 H new ATOM 0 HA ASN A 73 -21.567 8.691 -12.129 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -21.001 11.076 -13.201 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -20.656 10.113 -14.623 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -24.077 10.564 -15.421 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -22.405 11.007 -15.780 1.00 0.00 H new ATOM 1048 N ILE A 74 -19.812 6.753 -13.024 1.00 0.00 N ATOM 1049 CA ILE A 74 -19.415 5.541 -13.729 1.00 0.00 C ATOM 1050 C ILE A 74 -19.784 4.295 -12.932 1.00 0.00 C ATOM 1051 O ILE A 74 -19.738 4.297 -11.701 1.00 0.00 O ATOM 1052 CB ILE A 74 -17.902 5.525 -14.014 1.00 0.00 C ATOM 1053 CG1 ILE A 74 -17.464 6.852 -14.637 1.00 0.00 C ATOM 1054 CG2 ILE A 74 -17.547 4.362 -14.928 1.00 0.00 C ATOM 1055 CD1 ILE A 74 -15.966 6.971 -14.815 1.00 0.00 C ATOM 0 H ILE A 74 -19.609 6.745 -12.024 1.00 0.00 H new ATOM 0 HA ILE A 74 -19.955 5.536 -14.676 1.00 0.00 H new ATOM 0 HB ILE A 74 -17.371 5.395 -13.071 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -17.947 6.965 -15.607 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -17.813 7.672 -14.009 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -16.474 4.365 -15.120 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -17.828 3.424 -14.449 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -18.085 4.463 -15.871 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -15.728 7.936 -15.262 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -15.477 6.890 -13.844 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -15.613 6.173 -15.467 1.00 0.00 H new ATOM 1067 N ARG A 75 -20.149 3.231 -13.641 1.00 0.00 N ATOM 1068 CA ARG A 75 -20.526 1.978 -12.999 1.00 0.00 C ATOM 1069 C ARG A 75 -20.255 0.792 -13.920 1.00 0.00 C ATOM 1070 O ARG A 75 -20.384 0.881 -15.141 1.00 0.00 O ATOM 1071 CB ARG A 75 -22.004 2.005 -12.606 1.00 0.00 C ATOM 1072 CG ARG A 75 -22.950 1.977 -13.795 1.00 0.00 C ATOM 1073 CD ARG A 75 -24.383 2.265 -13.374 1.00 0.00 C ATOM 1074 NE ARG A 75 -25.228 2.614 -14.512 1.00 0.00 N ATOM 1075 CZ ARG A 75 -26.544 2.431 -14.534 1.00 0.00 C ATOM 1076 NH1 ARG A 75 -27.161 1.906 -13.485 1.00 0.00 N ATOM 1077 NH2 ARG A 75 -27.245 2.775 -15.607 1.00 0.00 N ATOM 0 H ARG A 75 -20.191 3.212 -14.660 1.00 0.00 H new ATOM 0 HA ARG A 75 -19.921 1.864 -12.100 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -22.216 1.151 -11.963 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -22.199 2.902 -12.018 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -22.631 2.714 -14.532 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -22.901 1.001 -14.278 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -24.796 1.391 -12.871 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -24.392 3.082 -12.652 1.00 0.00 H new ATOM 0 HE ARG A 75 -24.784 3.021 -15.335 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -26.626 1.641 -12.658 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -28.171 1.767 -13.505 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -26.774 3.180 -16.416 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -28.255 2.634 -15.623 1.00 0.00 H new