USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 656 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 70 GLN : amide:sc= -0.0501 K(o=-0.046,f=-1.2) USER MOD Set 1.2: A 91 LYS NZ :NH3+ -158:sc= 0.00421 (180deg=0) USER MOD Set 2.1: A 89 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 102 THR OG1 : rot 42:sc= 1.25 USER MOD Set 3.1: A 72 GLN : amide:sc= 0.656 K(o=1.4,f=-3.8!) USER MOD Set 3.2: A 87 THR OG1 : rot 119:sc= 0.767 USER MOD Set 4.1: A 69 TYR OH : rot -140:sc= -0.212 USER MOD Set 4.2: A 100 GLN : amide:sc= -0.1! C(o=-0.31!,f=-9.7!) USER MOD Set 5.1: A 26 THR OG1 : rot 155:sc= 1.33 USER MOD Set 5.2: A 34 THR OG1 : rot -76:sc= 0.535 USER MOD Single : A 19 GLN : amide:sc= -0.108 K(o=-0.11,f=-0.89) USER MOD Single : A 21 SER OG : rot 72:sc= 0.544 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0474 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -1.4 USER MOD Single : A 44 CYS SG : rot -24:sc= 0.689 USER MOD Single : A 45 LYS NZ :NH3+ -165:sc= 1.15 (180deg=0.883) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot -69:sc= -0.0399 USER MOD Single : A 48 MET CE :methyl -109:sc= -0.801 (180deg=-1.55) USER MOD Single : A 49 LYS NZ :NH3+ -141:sc= 1.78 (180deg=0.419) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.00317 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 54 LYS NZ :NH3+ -160:sc= -0.0345 (180deg=-0.301) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 81 THR OG1 : rot -160:sc= -0.869 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= -0.0516 X(o=-0.052,f=-0.058) USER MOD Single : A 96 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 257 N GLY A 16 -38.232 13.097 11.105 1.00 0.00 N ATOM 258 CA GLY A 16 -36.809 13.090 10.898 1.00 0.00 C ATOM 259 C GLY A 16 -36.415 14.078 9.824 1.00 0.00 C ATOM 260 O GLY A 16 -36.982 14.060 8.726 1.00 0.00 O ATOM 0 HA2 GLY A 16 -36.301 13.338 11.830 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -36.484 12.089 10.614 1.00 0.00 H new ATOM 264 N GLU A 17 -35.462 14.931 10.111 1.00 0.00 N ATOM 265 CA GLU A 17 -35.010 15.893 9.142 1.00 0.00 C ATOM 266 C GLU A 17 -33.708 15.466 8.547 1.00 0.00 C ATOM 267 O GLU A 17 -33.048 14.566 9.069 1.00 0.00 O ATOM 268 CB GLU A 17 -34.856 17.257 9.762 1.00 0.00 C ATOM 269 CG GLU A 17 -36.176 17.903 10.154 1.00 0.00 C ATOM 270 CD GLU A 17 -36.002 19.268 10.771 1.00 0.00 C ATOM 271 OE1 GLU A 17 -35.653 20.213 10.041 1.00 0.00 O ATOM 272 OE2 GLU A 17 -36.236 19.414 11.990 1.00 0.00 O ATOM 0 H GLU A 17 -34.985 14.977 11.011 1.00 0.00 H new ATOM 0 HA GLU A 17 -35.764 15.949 8.357 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -34.225 17.175 10.647 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -34.337 17.909 9.060 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -36.810 17.987 9.271 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -36.696 17.255 10.859 1.00 0.00 H new ATOM 279 N TRP A 18 -33.353 16.088 7.439 1.00 0.00 N ATOM 280 CA TRP A 18 -32.117 15.813 6.778 1.00 0.00 C ATOM 281 C TRP A 18 -30.918 15.911 7.694 1.00 0.00 C ATOM 282 O TRP A 18 -30.623 16.967 8.251 1.00 0.00 O ATOM 283 CB TRP A 18 -31.942 16.768 5.631 1.00 0.00 C ATOM 284 CG TRP A 18 -32.788 16.426 4.476 1.00 0.00 C ATOM 285 CD1 TRP A 18 -33.818 17.149 3.985 1.00 0.00 C ATOM 286 CD2 TRP A 18 -32.698 15.249 3.678 1.00 0.00 C ATOM 287 NE1 TRP A 18 -34.383 16.500 2.931 1.00 0.00 N ATOM 288 CE2 TRP A 18 -33.707 15.326 2.713 1.00 0.00 C ATOM 289 CE3 TRP A 18 -31.856 14.139 3.692 1.00 0.00 C ATOM 290 CZ2 TRP A 18 -33.904 14.325 1.757 1.00 0.00 C ATOM 291 CZ3 TRP A 18 -32.045 13.143 2.752 1.00 0.00 C ATOM 292 CH2 TRP A 18 -33.062 13.240 1.794 1.00 0.00 C ATOM 0 H TRP A 18 -33.924 16.798 6.980 1.00 0.00 H new ATOM 0 HA TRP A 18 -32.168 14.783 6.426 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -32.180 17.778 5.964 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -30.897 16.772 5.323 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -34.145 18.103 4.372 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -35.181 16.833 2.390 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -31.068 14.058 4.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -34.688 14.402 1.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -31.399 12.278 2.757 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -33.187 12.447 1.071 1.00 0.00 H new ATOM 303 N GLN A 19 -30.240 14.801 7.841 1.00 0.00 N ATOM 304 CA GLN A 19 -28.991 14.755 8.546 1.00 0.00 C ATOM 305 C GLN A 19 -27.941 14.285 7.589 1.00 0.00 C ATOM 306 O GLN A 19 -27.973 13.138 7.125 1.00 0.00 O ATOM 307 CB GLN A 19 -29.079 13.823 9.751 1.00 0.00 C ATOM 308 CG GLN A 19 -29.979 14.348 10.850 1.00 0.00 C ATOM 309 CD GLN A 19 -29.400 15.566 11.547 1.00 0.00 C ATOM 310 OE1 GLN A 19 -28.181 15.705 11.675 1.00 0.00 O ATOM 311 NE2 GLN A 19 -30.264 16.457 11.990 1.00 0.00 N ATOM 0 H GLN A 19 -30.544 13.900 7.471 1.00 0.00 H new ATOM 0 HA GLN A 19 -28.740 15.746 8.925 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -29.447 12.851 9.423 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -28.078 13.666 10.154 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -30.951 14.603 10.428 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -30.148 13.560 11.584 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -31.265 16.304 11.864 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -29.932 17.300 12.459 1.00 0.00 H new ATOM 320 N TRP A 20 -27.031 15.163 7.268 1.00 0.00 N ATOM 321 CA TRP A 20 -25.991 14.865 6.313 1.00 0.00 C ATOM 322 C TRP A 20 -24.701 14.447 6.989 1.00 0.00 C ATOM 323 O TRP A 20 -24.350 14.941 8.061 1.00 0.00 O ATOM 324 CB TRP A 20 -25.737 16.086 5.420 1.00 0.00 C ATOM 325 CG TRP A 20 -26.961 16.591 4.720 1.00 0.00 C ATOM 326 CD1 TRP A 20 -27.700 17.671 5.071 1.00 0.00 C ATOM 327 CD2 TRP A 20 -27.586 16.035 3.558 1.00 0.00 C ATOM 328 NE1 TRP A 20 -28.752 17.831 4.203 1.00 0.00 N ATOM 329 CE2 TRP A 20 -28.705 16.837 3.263 1.00 0.00 C ATOM 330 CE3 TRP A 20 -27.310 14.939 2.737 1.00 0.00 C ATOM 331 CZ2 TRP A 20 -29.546 16.578 2.186 1.00 0.00 C ATOM 332 CZ3 TRP A 20 -28.146 14.683 1.668 1.00 0.00 C ATOM 333 CH2 TRP A 20 -29.252 15.499 1.400 1.00 0.00 C ATOM 0 H TRP A 20 -26.986 16.104 7.658 1.00 0.00 H new ATOM 0 HA TRP A 20 -26.333 14.026 5.706 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -25.321 16.889 6.029 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -24.984 15.829 4.675 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -27.491 18.314 5.913 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -29.454 18.570 4.251 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -26.459 14.304 2.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -30.400 17.206 1.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -27.943 13.838 1.027 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -29.885 15.271 0.555 1.00 0.00 H new ATOM 344 N SER A 21 -24.011 13.538 6.348 1.00 0.00 N ATOM 345 CA SER A 21 -22.740 13.053 6.811 1.00 0.00 C ATOM 346 C SER A 21 -21.635 13.868 6.142 1.00 0.00 C ATOM 347 O SER A 21 -21.910 14.651 5.229 1.00 0.00 O ATOM 348 CB SER A 21 -22.593 11.569 6.467 1.00 0.00 C ATOM 349 OG SER A 21 -23.735 10.836 6.885 1.00 0.00 O ATOM 0 H SER A 21 -24.323 13.109 5.477 1.00 0.00 H new ATOM 0 HA SER A 21 -22.669 13.161 7.893 1.00 0.00 H new ATOM 0 HB2 SER A 21 -22.455 11.453 5.392 1.00 0.00 H new ATOM 0 HB3 SER A 21 -21.702 11.167 6.948 1.00 0.00 H new ATOM 0 HG SER A 21 -24.492 11.049 6.301 1.00 0.00 H new ATOM 355 N VAL A 22 -20.405 13.685 6.565 1.00 0.00 N ATOM 356 CA VAL A 22 -19.309 14.472 6.033 1.00 0.00 C ATOM 357 C VAL A 22 -18.651 13.742 4.876 1.00 0.00 C ATOM 358 O VAL A 22 -18.756 12.519 4.769 1.00 0.00 O ATOM 359 CB VAL A 22 -18.249 14.817 7.112 1.00 0.00 C ATOM 360 CG1 VAL A 22 -18.869 15.661 8.217 1.00 0.00 C ATOM 361 CG2 VAL A 22 -17.621 13.555 7.691 1.00 0.00 C ATOM 0 H VAL A 22 -20.136 13.002 7.273 1.00 0.00 H new ATOM 0 HA VAL A 22 -19.733 15.412 5.681 1.00 0.00 H new ATOM 0 HB VAL A 22 -17.458 15.395 6.634 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -18.112 15.894 8.965 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -19.257 16.587 7.793 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -19.683 15.107 8.685 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -16.882 13.829 8.444 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -18.396 12.940 8.149 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -17.135 12.992 6.894 1.00 0.00 H new ATOM 371 N CYS A 23 -18.003 14.496 3.995 1.00 0.00 N ATOM 372 CA CYS A 23 -17.398 13.922 2.809 1.00 0.00 C ATOM 373 C CYS A 23 -16.208 13.063 3.205 1.00 0.00 C ATOM 374 O CYS A 23 -15.124 13.573 3.499 1.00 0.00 O ATOM 375 CB CYS A 23 -16.970 15.034 1.835 1.00 0.00 C ATOM 376 SG CYS A 23 -16.398 14.445 0.202 1.00 0.00 S ATOM 0 H CYS A 23 -17.886 15.505 4.084 1.00 0.00 H new ATOM 0 HA CYS A 23 -18.130 13.293 2.302 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -17.811 15.711 1.687 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -16.171 15.614 2.297 1.00 0.00 H new ATOM 381 N VAL A 24 -16.432 11.767 3.247 1.00 0.00 N ATOM 382 CA VAL A 24 -15.406 10.832 3.639 1.00 0.00 C ATOM 383 C VAL A 24 -14.681 10.283 2.413 1.00 0.00 C ATOM 384 O VAL A 24 -15.315 9.924 1.408 1.00 0.00 O ATOM 385 CB VAL A 24 -16.011 9.660 4.482 1.00 0.00 C ATOM 386 CG1 VAL A 24 -17.097 8.920 3.710 1.00 0.00 C ATOM 387 CG2 VAL A 24 -14.926 8.694 4.947 1.00 0.00 C ATOM 0 H VAL A 24 -17.326 11.336 3.011 1.00 0.00 H new ATOM 0 HA VAL A 24 -14.685 11.364 4.260 1.00 0.00 H new ATOM 0 HB VAL A 24 -16.471 10.102 5.366 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -17.495 8.113 4.325 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -17.900 9.613 3.457 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -16.674 8.504 2.795 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -15.379 7.892 5.530 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -14.419 8.271 4.080 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -14.204 9.228 5.565 1.00 0.00 H new ATOM 397 N PRO A 25 -13.333 10.266 2.459 1.00 0.00 N ATOM 398 CA PRO A 25 -12.518 9.745 1.374 1.00 0.00 C ATOM 399 C PRO A 25 -12.836 8.285 1.081 1.00 0.00 C ATOM 400 O PRO A 25 -12.572 7.396 1.898 1.00 0.00 O ATOM 401 CB PRO A 25 -11.072 9.896 1.881 1.00 0.00 C ATOM 402 CG PRO A 25 -11.194 10.091 3.352 1.00 0.00 C ATOM 403 CD PRO A 25 -12.507 10.776 3.568 1.00 0.00 C ATOM 0 HA PRO A 25 -12.697 10.276 0.439 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.479 9.012 1.649 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.576 10.745 1.411 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.161 9.136 3.877 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.371 10.694 3.736 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -12.937 10.528 4.539 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -12.407 11.861 3.531 1.00 0.00 H new ATOM 411 N THR A 26 -13.437 8.057 -0.072 1.00 0.00 N ATOM 412 CA THR A 26 -13.786 6.728 -0.509 1.00 0.00 C ATOM 413 C THR A 26 -12.526 5.911 -0.761 1.00 0.00 C ATOM 414 O THR A 26 -12.533 4.681 -0.692 1.00 0.00 O ATOM 415 CB THR A 26 -14.660 6.792 -1.781 1.00 0.00 C ATOM 416 OG1 THR A 26 -15.877 7.488 -1.481 1.00 0.00 O ATOM 417 CG2 THR A 26 -14.991 5.402 -2.303 1.00 0.00 C ATOM 0 H THR A 26 -13.695 8.793 -0.729 1.00 0.00 H new ATOM 0 HA THR A 26 -14.363 6.240 0.276 1.00 0.00 H new ATOM 0 HB THR A 26 -14.099 7.318 -2.553 1.00 0.00 H new ATOM 0 HG1 THR A 26 -16.239 7.883 -2.302 1.00 0.00 H new ATOM 0 HG21 THR A 26 -15.607 5.487 -3.198 1.00 0.00 H new ATOM 0 HG22 THR A 26 -14.068 4.875 -2.546 1.00 0.00 H new ATOM 0 HG23 THR A 26 -15.535 4.847 -1.539 1.00 0.00 H new ATOM 425 N SER A 27 -11.445 6.610 -1.011 1.00 0.00 N ATOM 426 CA SER A 27 -10.186 5.984 -1.263 1.00 0.00 C ATOM 427 C SER A 27 -9.105 6.658 -0.453 1.00 0.00 C ATOM 428 O SER A 27 -9.382 7.621 0.263 1.00 0.00 O ATOM 429 CB SER A 27 -9.880 6.038 -2.750 1.00 0.00 C ATOM 430 OG SER A 27 -8.775 5.218 -3.093 1.00 0.00 O ATOM 0 H SER A 27 -11.422 7.629 -1.044 1.00 0.00 H new ATOM 0 HA SER A 27 -10.227 4.938 -0.961 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.757 5.719 -3.313 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.672 7.068 -3.041 1.00 0.00 H new ATOM 0 HG SER A 27 -8.610 5.278 -4.057 1.00 0.00 H new ATOM 436 N GLY A 28 -7.887 6.121 -0.543 1.00 0.00 N ATOM 437 CA GLY A 28 -6.743 6.650 0.179 1.00 0.00 C ATOM 438 C GLY A 28 -6.454 8.102 -0.123 1.00 0.00 C ATOM 439 O GLY A 28 -5.596 8.412 -0.957 1.00 0.00 O ATOM 0 H GLY A 28 -7.672 5.308 -1.120 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.916 6.538 1.249 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.863 6.055 -0.065 1.00 0.00 H new ATOM 443 N ASP A 29 -7.216 8.978 0.525 1.00 0.00 N ATOM 444 CA ASP A 29 -7.049 10.452 0.455 1.00 0.00 C ATOM 445 C ASP A 29 -7.594 11.027 -0.852 1.00 0.00 C ATOM 446 O ASP A 29 -8.223 12.080 -0.869 1.00 0.00 O ATOM 447 CB ASP A 29 -5.580 10.854 0.662 1.00 0.00 C ATOM 448 CG ASP A 29 -5.358 12.350 0.623 1.00 0.00 C ATOM 449 OD1 ASP A 29 -5.661 13.028 1.628 1.00 0.00 O ATOM 450 OD2 ASP A 29 -4.828 12.849 -0.390 1.00 0.00 O ATOM 0 H ASP A 29 -7.986 8.692 1.129 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.636 10.880 1.267 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.237 10.468 1.622 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.970 10.383 -0.108 1.00 0.00 H new ATOM 455 N CYS A 30 -7.379 10.315 -1.929 1.00 0.00 N ATOM 456 CA CYS A 30 -7.854 10.734 -3.221 1.00 0.00 C ATOM 457 C CYS A 30 -8.728 9.650 -3.828 1.00 0.00 C ATOM 458 O CYS A 30 -8.248 8.571 -4.189 1.00 0.00 O ATOM 459 CB CYS A 30 -6.696 11.073 -4.152 1.00 0.00 C ATOM 460 SG CYS A 30 -7.226 11.686 -5.783 1.00 0.00 S ATOM 0 H CYS A 30 -6.871 9.431 -1.934 1.00 0.00 H new ATOM 0 HA CYS A 30 -8.449 11.638 -3.091 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -6.068 11.826 -3.677 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.080 10.185 -4.290 1.00 0.00 H new ATOM 465 N GLY A 31 -10.006 9.934 -3.895 1.00 0.00 N ATOM 466 CA GLY A 31 -10.974 9.004 -4.421 1.00 0.00 C ATOM 467 C GLY A 31 -12.307 9.664 -4.528 1.00 0.00 C ATOM 468 O GLY A 31 -12.553 10.636 -3.812 1.00 0.00 O ATOM 0 H GLY A 31 -10.405 10.820 -3.585 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.655 8.649 -5.401 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.042 8.131 -3.772 1.00 0.00 H new ATOM 472 N LEU A 32 -13.170 9.192 -5.414 1.00 0.00 N ATOM 473 CA LEU A 32 -14.486 9.786 -5.521 1.00 0.00 C ATOM 474 C LEU A 32 -15.237 9.560 -4.223 1.00 0.00 C ATOM 475 O LEU A 32 -15.654 8.445 -3.922 1.00 0.00 O ATOM 476 CB LEU A 32 -15.254 9.218 -6.720 1.00 0.00 C ATOM 477 CG LEU A 32 -16.567 9.922 -7.075 1.00 0.00 C ATOM 478 CD1 LEU A 32 -16.317 11.382 -7.426 1.00 0.00 C ATOM 479 CD2 LEU A 32 -17.248 9.212 -8.231 1.00 0.00 C ATOM 0 H LEU A 32 -12.987 8.419 -6.053 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.385 10.858 -5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.601 9.250 -7.592 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.470 8.168 -6.523 1.00 0.00 H new ATOM 0 HG LEU A 32 -17.223 9.886 -6.205 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.263 11.863 -7.675 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.865 11.889 -6.573 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.644 11.440 -8.281 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -18.180 9.723 -8.473 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.592 9.222 -9.101 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -17.462 8.181 -7.950 1.00 0.00 H new ATOM 491 N GLY A 33 -15.416 10.643 -3.481 1.00 0.00 N ATOM 492 CA GLY A 33 -15.980 10.583 -2.153 1.00 0.00 C ATOM 493 C GLY A 33 -17.428 10.173 -2.099 1.00 0.00 C ATOM 494 O GLY A 33 -18.082 9.992 -3.125 1.00 0.00 O ATOM 0 H GLY A 33 -15.172 11.585 -3.788 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.396 9.882 -1.557 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.877 11.562 -1.685 1.00 0.00 H new ATOM 498 N THR A 34 -17.910 10.026 -0.891 1.00 0.00 N ATOM 499 CA THR A 34 -19.282 9.655 -0.647 1.00 0.00 C ATOM 500 C THR A 34 -19.890 10.482 0.483 1.00 0.00 C ATOM 501 O THR A 34 -19.173 10.988 1.356 1.00 0.00 O ATOM 502 CB THR A 34 -19.395 8.153 -0.321 1.00 0.00 C ATOM 503 OG1 THR A 34 -18.204 7.712 0.353 1.00 0.00 O ATOM 504 CG2 THR A 34 -19.598 7.334 -1.591 1.00 0.00 C ATOM 0 H THR A 34 -17.359 10.161 -0.044 1.00 0.00 H new ATOM 0 HA THR A 34 -19.842 9.860 -1.560 1.00 0.00 H new ATOM 0 HB THR A 34 -20.259 8.006 0.326 1.00 0.00 H new ATOM 0 HG1 THR A 34 -17.475 7.622 -0.296 1.00 0.00 H new ATOM 0 HG21 THR A 34 -19.675 6.277 -1.334 1.00 0.00 H new ATOM 0 HG22 THR A 34 -20.514 7.654 -2.088 1.00 0.00 H new ATOM 0 HG23 THR A 34 -18.751 7.484 -2.260 1.00 0.00 H new ATOM 512 N ARG A 35 -21.205 10.636 0.446 1.00 0.00 N ATOM 513 CA ARG A 35 -21.935 11.377 1.463 1.00 0.00 C ATOM 514 C ARG A 35 -23.291 10.704 1.705 1.00 0.00 C ATOM 515 O ARG A 35 -23.945 10.266 0.764 1.00 0.00 O ATOM 516 CB ARG A 35 -22.150 12.823 1.001 1.00 0.00 C ATOM 517 CG ARG A 35 -22.710 13.747 2.073 1.00 0.00 C ATOM 518 CD ARG A 35 -23.027 15.126 1.510 1.00 0.00 C ATOM 519 NE ARG A 35 -21.901 15.681 0.745 1.00 0.00 N ATOM 520 CZ ARG A 35 -21.392 16.904 0.918 1.00 0.00 C ATOM 521 NH1 ARG A 35 -21.891 17.717 1.843 1.00 0.00 N ATOM 522 NH2 ARG A 35 -20.380 17.315 0.159 1.00 0.00 N ATOM 0 H ARG A 35 -21.796 10.250 -0.290 1.00 0.00 H new ATOM 0 HA ARG A 35 -21.360 11.383 2.389 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -21.199 13.225 0.652 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -22.829 12.822 0.148 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -23.614 13.309 2.497 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -21.990 13.841 2.886 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -23.905 15.062 0.868 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -23.278 15.802 2.327 1.00 0.00 H new ATOM 0 HE ARG A 35 -21.478 15.089 0.030 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -22.668 17.409 2.427 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -21.497 18.649 1.969 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -19.993 16.697 -0.554 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -19.991 18.249 0.290 1.00 0.00 H new ATOM 536 N GLU A 36 -23.691 10.606 2.958 1.00 0.00 N ATOM 537 CA GLU A 36 -24.967 9.981 3.310 1.00 0.00 C ATOM 538 C GLU A 36 -25.920 10.985 3.937 1.00 0.00 C ATOM 539 O GLU A 36 -25.529 11.749 4.825 1.00 0.00 O ATOM 540 CB GLU A 36 -24.765 8.814 4.268 1.00 0.00 C ATOM 541 CG GLU A 36 -23.897 7.702 3.724 1.00 0.00 C ATOM 542 CD GLU A 36 -23.988 6.452 4.561 1.00 0.00 C ATOM 543 OE1 GLU A 36 -23.339 6.396 5.622 1.00 0.00 O ATOM 544 OE2 GLU A 36 -24.712 5.517 4.158 1.00 0.00 O ATOM 0 H GLU A 36 -23.156 10.949 3.755 1.00 0.00 H new ATOM 0 HA GLU A 36 -25.403 9.609 2.383 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -24.319 9.189 5.189 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -25.740 8.402 4.530 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -24.197 7.476 2.701 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -22.861 8.037 3.685 1.00 0.00 H new ATOM 551 N GLY A 37 -27.157 11.008 3.463 1.00 0.00 N ATOM 552 CA GLY A 37 -28.153 11.884 4.025 1.00 0.00 C ATOM 553 C GLY A 37 -29.439 11.137 4.321 1.00 0.00 C ATOM 554 O GLY A 37 -29.895 10.329 3.509 1.00 0.00 O ATOM 0 H GLY A 37 -27.487 10.428 2.692 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -27.771 12.332 4.942 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -28.355 12.700 3.332 1.00 0.00 H new ATOM 558 N THR A 38 -30.016 11.393 5.474 1.00 0.00 N ATOM 559 CA THR A 38 -31.241 10.713 5.872 1.00 0.00 C ATOM 560 C THR A 38 -32.341 11.712 6.194 1.00 0.00 C ATOM 561 O THR A 38 -32.058 12.815 6.656 1.00 0.00 O ATOM 562 CB THR A 38 -30.993 9.795 7.080 1.00 0.00 C ATOM 563 OG1 THR A 38 -30.160 10.468 8.037 1.00 0.00 O ATOM 564 CG2 THR A 38 -30.319 8.509 6.637 1.00 0.00 C ATOM 0 H THR A 38 -29.662 12.065 6.155 1.00 0.00 H new ATOM 0 HA THR A 38 -31.565 10.101 5.030 1.00 0.00 H new ATOM 0 HB THR A 38 -31.952 9.552 7.537 1.00 0.00 H new ATOM 0 HG1 THR A 38 -30.005 9.881 8.806 1.00 0.00 H new ATOM 0 HG21 THR A 38 -30.150 7.870 7.503 1.00 0.00 H new ATOM 0 HG22 THR A 38 -30.958 7.991 5.923 1.00 0.00 H new ATOM 0 HG23 THR A 38 -29.364 8.742 6.166 1.00 0.00 H new ATOM 572 N ARG A 39 -33.593 11.333 5.938 1.00 0.00 N ATOM 573 CA ARG A 39 -34.746 12.187 6.158 1.00 0.00 C ATOM 574 C ARG A 39 -35.975 11.298 6.318 1.00 0.00 C ATOM 575 O ARG A 39 -35.937 10.133 5.939 1.00 0.00 O ATOM 576 CB ARG A 39 -34.914 13.093 4.932 1.00 0.00 C ATOM 577 CG ARG A 39 -36.195 13.917 4.852 1.00 0.00 C ATOM 578 CD ARG A 39 -36.205 15.068 5.836 1.00 0.00 C ATOM 579 NE ARG A 39 -37.013 16.183 5.335 1.00 0.00 N ATOM 580 CZ ARG A 39 -38.270 16.441 5.699 1.00 0.00 C ATOM 581 NH1 ARG A 39 -38.877 15.693 6.619 1.00 0.00 N ATOM 582 NH2 ARG A 39 -38.919 17.456 5.138 1.00 0.00 N ATOM 0 H ARG A 39 -33.831 10.413 5.568 1.00 0.00 H new ATOM 0 HA ARG A 39 -34.618 12.799 7.051 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -34.067 13.779 4.899 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -34.855 12.470 4.039 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -36.310 14.307 3.841 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -37.052 13.271 5.044 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -36.601 14.729 6.793 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -35.184 15.406 6.015 1.00 0.00 H new ATOM 0 HE ARG A 39 -36.581 16.810 4.656 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -38.380 14.915 7.052 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -39.838 15.899 6.890 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -38.456 18.031 4.435 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -39.880 17.660 5.411 1.00 0.00 H new ATOM 596 N THR A 40 -37.030 11.828 6.915 1.00 0.00 N ATOM 597 CA THR A 40 -38.280 11.088 7.025 1.00 0.00 C ATOM 598 C THR A 40 -39.491 12.030 7.053 1.00 0.00 C ATOM 599 O THR A 40 -39.400 13.143 7.570 1.00 0.00 O ATOM 600 CB THR A 40 -38.280 10.173 8.265 1.00 0.00 C ATOM 601 OG1 THR A 40 -37.333 10.661 9.217 1.00 0.00 O ATOM 602 CG2 THR A 40 -37.922 8.740 7.887 1.00 0.00 C ATOM 0 H THR A 40 -37.048 12.760 7.328 1.00 0.00 H new ATOM 0 HA THR A 40 -38.362 10.461 6.137 1.00 0.00 H new ATOM 0 HB THR A 40 -39.281 10.178 8.696 1.00 0.00 H new ATOM 0 HG1 THR A 40 -37.334 10.080 10.006 1.00 0.00 H new ATOM 0 HG21 THR A 40 -37.929 8.115 8.780 1.00 0.00 H new ATOM 0 HG22 THR A 40 -38.651 8.359 7.172 1.00 0.00 H new ATOM 0 HG23 THR A 40 -36.929 8.719 7.438 1.00 0.00 H new ATOM 610 N GLY A 41 -40.603 11.581 6.475 1.00 0.00 N ATOM 611 CA GLY A 41 -41.827 12.370 6.463 1.00 0.00 C ATOM 612 C GLY A 41 -42.778 11.932 7.549 1.00 0.00 C ATOM 613 O GLY A 41 -42.345 11.414 8.561 1.00 0.00 O ATOM 0 H GLY A 41 -40.679 10.676 6.010 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -41.583 13.424 6.595 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -42.313 12.275 5.492 1.00 0.00 H new ATOM 617 N ALA A 42 -44.083 12.080 7.336 1.00 0.00 N ATOM 618 CA ALA A 42 -45.031 11.707 8.383 1.00 0.00 C ATOM 619 C ALA A 42 -45.197 10.194 8.409 1.00 0.00 C ATOM 620 O ALA A 42 -45.317 9.582 9.472 1.00 0.00 O ATOM 621 CB ALA A 42 -46.372 12.385 8.155 1.00 0.00 C ATOM 0 H ALA A 42 -44.499 12.443 6.478 1.00 0.00 H new ATOM 0 HA ALA A 42 -44.643 12.039 9.346 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -47.065 12.095 8.945 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -46.240 13.467 8.167 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -46.774 12.080 7.189 1.00 0.00 H new ATOM 627 N GLU A 43 -45.169 9.603 7.220 1.00 0.00 N ATOM 628 CA GLU A 43 -45.197 8.153 7.066 1.00 0.00 C ATOM 629 C GLU A 43 -43.795 7.588 7.172 1.00 0.00 C ATOM 630 O GLU A 43 -43.600 6.376 7.114 1.00 0.00 O ATOM 631 CB GLU A 43 -45.808 7.776 5.719 1.00 0.00 C ATOM 632 CG GLU A 43 -47.266 8.161 5.575 1.00 0.00 C ATOM 633 CD GLU A 43 -48.145 7.469 6.589 1.00 0.00 C ATOM 634 OE1 GLU A 43 -48.562 6.322 6.331 1.00 0.00 O ATOM 635 OE2 GLU A 43 -48.421 8.065 7.647 1.00 0.00 O ATOM 0 H GLU A 43 -45.126 10.113 6.338 1.00 0.00 H new ATOM 0 HA GLU A 43 -45.810 7.731 7.862 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -45.236 8.256 4.925 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -45.711 6.700 5.576 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -47.367 9.241 5.687 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -47.608 7.911 4.571 1.00 0.00 H new ATOM 642 N CYS A 44 -42.840 8.490 7.367 1.00 0.00 N ATOM 643 CA CYS A 44 -41.416 8.161 7.478 1.00 0.00 C ATOM 644 C CYS A 44 -41.002 7.069 6.472 1.00 0.00 C ATOM 645 O CYS A 44 -40.559 5.992 6.863 1.00 0.00 O ATOM 646 CB CYS A 44 -41.109 7.701 8.910 1.00 0.00 C ATOM 647 SG CYS A 44 -41.927 8.697 10.208 1.00 0.00 S ATOM 0 H CYS A 44 -43.032 9.488 7.454 1.00 0.00 H new ATOM 0 HA CYS A 44 -40.841 9.057 7.244 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -41.415 6.661 9.019 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -40.031 7.734 9.067 1.00 0.00 H new ATOM 0 HG CYS A 44 -42.195 9.881 9.742 1.00 0.00 H new ATOM 652 N LYS A 45 -41.164 7.345 5.185 1.00 0.00 N ATOM 653 CA LYS A 45 -40.840 6.360 4.162 1.00 0.00 C ATOM 654 C LYS A 45 -39.736 6.843 3.234 1.00 0.00 C ATOM 655 O LYS A 45 -39.707 8.000 2.837 1.00 0.00 O ATOM 656 CB LYS A 45 -42.087 5.966 3.367 1.00 0.00 C ATOM 657 CG LYS A 45 -43.088 5.155 4.172 1.00 0.00 C ATOM 658 CD LYS A 45 -42.559 3.760 4.471 1.00 0.00 C ATOM 659 CE LYS A 45 -43.367 3.080 5.562 1.00 0.00 C ATOM 660 NZ LYS A 45 -43.170 3.734 6.878 1.00 0.00 N ATOM 0 H LYS A 45 -41.514 8.234 4.827 1.00 0.00 H new ATOM 0 HA LYS A 45 -40.466 5.475 4.676 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -42.575 6.869 3.000 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -41.784 5.390 2.493 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -43.308 5.670 5.107 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -44.025 5.080 3.621 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -42.590 3.156 3.564 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -41.515 3.824 4.776 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -44.425 3.102 5.299 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -43.077 2.031 5.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -43.521 3.110 7.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -42.157 3.919 7.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -43.693 4.632 6.901 1.00 0.00 H new ATOM 674 N GLN A 46 -38.875 5.908 2.864 1.00 0.00 N ATOM 675 CA GLN A 46 -37.696 6.179 2.040 1.00 0.00 C ATOM 676 C GLN A 46 -36.951 7.435 2.534 1.00 0.00 C ATOM 677 O GLN A 46 -36.344 7.418 3.607 1.00 0.00 O ATOM 678 CB GLN A 46 -38.090 6.326 0.563 1.00 0.00 C ATOM 679 CG GLN A 46 -38.732 5.082 -0.030 1.00 0.00 C ATOM 680 CD GLN A 46 -39.202 5.298 -1.455 1.00 0.00 C ATOM 681 OE1 GLN A 46 -38.456 5.079 -2.409 1.00 0.00 O ATOM 682 NE2 GLN A 46 -40.439 5.729 -1.606 1.00 0.00 N ATOM 0 H GLN A 46 -38.972 4.927 3.128 1.00 0.00 H new ATOM 0 HA GLN A 46 -37.019 5.330 2.132 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -38.782 7.163 0.463 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -37.201 6.576 -0.017 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -38.016 4.261 -0.007 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -39.579 4.784 0.588 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -41.024 5.898 -0.787 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -40.811 5.893 -2.541 1.00 0.00 H new ATOM 691 N THR A 47 -37.042 8.527 1.753 1.00 0.00 N ATOM 692 CA THR A 47 -36.419 9.830 2.076 1.00 0.00 C ATOM 693 C THR A 47 -34.945 9.731 2.496 1.00 0.00 C ATOM 694 O THR A 47 -34.432 10.572 3.226 1.00 0.00 O ATOM 695 CB THR A 47 -37.227 10.619 3.127 1.00 0.00 C ATOM 696 OG1 THR A 47 -37.883 9.729 4.042 1.00 0.00 O ATOM 697 CG2 THR A 47 -38.252 11.524 2.460 1.00 0.00 C ATOM 0 H THR A 47 -37.554 8.533 0.871 1.00 0.00 H new ATOM 0 HA THR A 47 -36.438 10.383 1.137 1.00 0.00 H new ATOM 0 HB THR A 47 -36.525 11.239 3.684 1.00 0.00 H new ATOM 0 HG1 THR A 47 -38.596 9.246 3.574 1.00 0.00 H new ATOM 0 HG21 THR A 47 -38.808 12.069 3.223 1.00 0.00 H new ATOM 0 HG22 THR A 47 -37.742 12.233 1.808 1.00 0.00 H new ATOM 0 HG23 THR A 47 -38.942 10.920 1.871 1.00 0.00 H new ATOM 705 N MET A 48 -34.283 8.723 2.010 1.00 0.00 N ATOM 706 CA MET A 48 -32.870 8.524 2.276 1.00 0.00 C ATOM 707 C MET A 48 -32.095 8.679 0.991 1.00 0.00 C ATOM 708 O MET A 48 -32.593 8.330 -0.082 1.00 0.00 O ATOM 709 CB MET A 48 -32.613 7.142 2.876 1.00 0.00 C ATOM 710 CG MET A 48 -33.251 6.926 4.240 1.00 0.00 C ATOM 711 SD MET A 48 -32.975 5.259 4.882 1.00 0.00 S ATOM 712 CE MET A 48 -31.184 5.212 4.948 1.00 0.00 C ATOM 0 H MET A 48 -34.700 8.007 1.415 1.00 0.00 H new ATOM 0 HA MET A 48 -32.542 9.271 2.999 1.00 0.00 H new ATOM 0 HB2 MET A 48 -32.988 6.384 2.188 1.00 0.00 H new ATOM 0 HB3 MET A 48 -31.537 6.990 2.962 1.00 0.00 H new ATOM 0 HG2 MET A 48 -32.848 7.654 4.944 1.00 0.00 H new ATOM 0 HG3 MET A 48 -34.323 7.111 4.169 1.00 0.00 H new ATOM 0 HE1 MET A 48 -30.809 4.544 4.172 1.00 0.00 H new ATOM 0 HE2 MET A 48 -30.788 6.215 4.787 1.00 0.00 H new ATOM 0 HE3 MET A 48 -30.865 4.848 5.925 1.00 0.00 H new ATOM 722 N LYS A 49 -30.889 9.204 1.076 1.00 0.00 N ATOM 723 CA LYS A 49 -30.094 9.406 -0.109 1.00 0.00 C ATOM 724 C LYS A 49 -28.609 9.246 0.174 1.00 0.00 C ATOM 725 O LYS A 49 -28.093 9.720 1.186 1.00 0.00 O ATOM 726 CB LYS A 49 -30.360 10.796 -0.702 1.00 0.00 C ATOM 727 CG LYS A 49 -29.773 11.000 -2.096 1.00 0.00 C ATOM 728 CD LYS A 49 -30.555 10.222 -3.149 1.00 0.00 C ATOM 729 CE LYS A 49 -29.958 10.400 -4.540 1.00 0.00 C ATOM 730 NZ LYS A 49 -28.735 9.571 -4.745 1.00 0.00 N ATOM 0 H LYS A 49 -30.445 9.495 1.947 1.00 0.00 H new ATOM 0 HA LYS A 49 -30.386 8.641 -0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -31.437 10.961 -0.745 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -29.948 11.550 -0.032 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -29.782 12.061 -2.344 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -28.731 10.680 -2.104 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -30.562 9.164 -2.889 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -31.592 10.556 -3.153 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -30.704 10.134 -5.289 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -29.712 11.450 -4.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -28.036 10.113 -5.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -28.330 9.316 -3.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -28.985 8.705 -5.264 1.00 0.00 H new ATOM 744 N THR A 50 -27.945 8.576 -0.724 1.00 0.00 N ATOM 745 CA THR A 50 -26.519 8.431 -0.687 1.00 0.00 C ATOM 746 C THR A 50 -25.962 9.151 -1.892 1.00 0.00 C ATOM 747 O THR A 50 -26.556 9.091 -2.981 1.00 0.00 O ATOM 748 CB THR A 50 -26.103 6.954 -0.716 1.00 0.00 C ATOM 749 OG1 THR A 50 -26.969 6.223 -1.597 1.00 0.00 O ATOM 750 CG2 THR A 50 -26.154 6.354 0.680 1.00 0.00 C ATOM 0 H THR A 50 -28.387 8.108 -1.515 1.00 0.00 H new ATOM 0 HA THR A 50 -26.129 8.854 0.239 1.00 0.00 H new ATOM 0 HB THR A 50 -25.078 6.888 -1.081 1.00 0.00 H new ATOM 0 HG1 THR A 50 -26.699 5.281 -1.614 1.00 0.00 H new ATOM 0 HG21 THR A 50 -25.856 5.307 0.637 1.00 0.00 H new ATOM 0 HG22 THR A 50 -25.474 6.898 1.335 1.00 0.00 H new ATOM 0 HG23 THR A 50 -27.169 6.426 1.070 1.00 0.00 H new ATOM 758 N GLN A 51 -24.872 9.871 -1.725 1.00 0.00 N ATOM 759 CA GLN A 51 -24.358 10.680 -2.799 1.00 0.00 C ATOM 760 C GLN A 51 -22.863 10.521 -2.966 1.00 0.00 C ATOM 761 O GLN A 51 -22.137 10.205 -2.030 1.00 0.00 O ATOM 762 CB GLN A 51 -24.666 12.165 -2.556 1.00 0.00 C ATOM 763 CG GLN A 51 -26.138 12.496 -2.372 1.00 0.00 C ATOM 764 CD GLN A 51 -26.361 13.974 -2.109 1.00 0.00 C ATOM 765 OE1 GLN A 51 -26.341 14.422 -0.967 1.00 0.00 O ATOM 766 NE2 GLN A 51 -26.573 14.736 -3.161 1.00 0.00 N ATOM 0 H GLN A 51 -24.332 9.910 -0.861 1.00 0.00 H new ATOM 0 HA GLN A 51 -24.851 10.337 -3.708 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -24.122 12.493 -1.670 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -24.282 12.742 -3.397 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -26.690 12.199 -3.264 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -26.539 11.916 -1.541 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -26.582 14.325 -4.095 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -26.728 15.737 -3.043 1.00 0.00 H new ATOM 775 N ARG A 52 -22.452 10.717 -4.176 1.00 0.00 N ATOM 776 CA ARG A 52 -21.044 10.761 -4.493 1.00 0.00 C ATOM 777 C ARG A 52 -20.527 12.169 -4.267 1.00 0.00 C ATOM 778 O ARG A 52 -21.210 13.142 -4.578 1.00 0.00 O ATOM 779 CB ARG A 52 -20.775 10.265 -5.904 1.00 0.00 C ATOM 780 CG ARG A 52 -21.081 8.787 -6.061 1.00 0.00 C ATOM 781 CD ARG A 52 -20.588 8.237 -7.379 1.00 0.00 C ATOM 782 NE ARG A 52 -21.302 8.795 -8.526 1.00 0.00 N ATOM 783 CZ ARG A 52 -22.208 8.115 -9.233 1.00 0.00 C ATOM 784 NH1 ARG A 52 -22.581 6.901 -8.841 1.00 0.00 N ATOM 785 NH2 ARG A 52 -22.754 8.649 -10.315 1.00 0.00 N ATOM 0 H ARG A 52 -23.071 10.852 -4.976 1.00 0.00 H new ATOM 0 HA ARG A 52 -20.503 10.085 -3.831 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -21.379 10.836 -6.609 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -19.731 10.447 -6.158 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -20.619 8.234 -5.243 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -22.157 8.631 -5.984 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -19.524 8.449 -7.481 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -20.699 7.153 -7.380 1.00 0.00 H new ATOM 0 HE ARG A 52 -21.097 9.756 -8.801 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -22.175 6.489 -8.001 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -23.273 6.381 -9.381 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -22.483 9.586 -10.614 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -23.445 8.123 -10.850 1.00 0.00 H new ATOM 799 N CYS A 53 -19.343 12.282 -3.701 1.00 0.00 N ATOM 800 CA CYS A 53 -18.795 13.566 -3.298 1.00 0.00 C ATOM 801 C CYS A 53 -17.514 13.802 -4.098 1.00 0.00 C ATOM 802 O CYS A 53 -16.918 12.849 -4.600 1.00 0.00 O ATOM 803 CB CYS A 53 -18.498 13.540 -1.786 1.00 0.00 C ATOM 804 SG CYS A 53 -17.832 15.089 -1.091 1.00 0.00 S ATOM 0 H CYS A 53 -18.732 11.489 -3.506 1.00 0.00 H new ATOM 0 HA CYS A 53 -19.502 14.373 -3.493 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -19.418 13.291 -1.257 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -17.788 12.738 -1.587 1.00 0.00 H new ATOM 809 N LYS A 54 -17.080 15.040 -4.215 1.00 0.00 N ATOM 810 CA LYS A 54 -15.918 15.340 -5.029 1.00 0.00 C ATOM 811 C LYS A 54 -14.744 15.852 -4.203 1.00 0.00 C ATOM 812 O LYS A 54 -14.867 16.816 -3.448 1.00 0.00 O ATOM 813 CB LYS A 54 -16.307 16.364 -6.102 1.00 0.00 C ATOM 814 CG LYS A 54 -15.159 17.212 -6.616 1.00 0.00 C ATOM 815 CD LYS A 54 -15.619 18.163 -7.707 1.00 0.00 C ATOM 816 CE LYS A 54 -14.660 19.331 -7.869 1.00 0.00 C ATOM 817 NZ LYS A 54 -14.702 20.245 -6.697 1.00 0.00 N ATOM 0 H LYS A 54 -17.508 15.848 -3.763 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.587 14.413 -5.498 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -16.755 15.836 -6.943 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -17.074 17.023 -5.695 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -14.728 17.781 -5.793 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -14.372 16.565 -7.003 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -15.700 17.624 -8.651 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -16.614 18.538 -7.468 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.646 18.953 -8.000 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.912 19.886 -8.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.318 21.173 -6.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.686 20.356 -6.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.132 19.846 -5.925 1.00 0.00 H new ATOM 831 N ILE A 55 -13.610 15.179 -4.348 1.00 0.00 N ATOM 832 CA ILE A 55 -12.364 15.598 -3.729 1.00 0.00 C ATOM 833 C ILE A 55 -11.476 16.280 -4.780 1.00 0.00 C ATOM 834 O ILE A 55 -11.249 15.730 -5.863 1.00 0.00 O ATOM 835 CB ILE A 55 -11.611 14.378 -3.111 1.00 0.00 C ATOM 836 CG1 ILE A 55 -12.482 13.705 -2.038 1.00 0.00 C ATOM 837 CG2 ILE A 55 -10.259 14.794 -2.526 1.00 0.00 C ATOM 838 CD1 ILE A 55 -11.811 12.541 -1.335 1.00 0.00 C ATOM 0 H ILE A 55 -13.531 14.325 -4.900 1.00 0.00 H new ATOM 0 HA ILE A 55 -12.592 16.300 -2.927 1.00 0.00 H new ATOM 0 HB ILE A 55 -11.418 13.661 -3.909 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -12.764 14.450 -1.295 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -13.403 13.353 -2.502 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.761 13.921 -2.104 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -9.638 15.221 -3.313 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.414 15.537 -1.743 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -12.492 12.122 -0.594 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.554 11.774 -2.066 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.905 12.889 -0.840 1.00 0.00 H new ATOM 850 N PRO A 56 -10.977 17.491 -4.478 1.00 0.00 N ATOM 851 CA PRO A 56 -10.139 18.274 -5.409 1.00 0.00 C ATOM 852 C PRO A 56 -8.696 17.748 -5.511 1.00 0.00 C ATOM 853 O PRO A 56 -7.738 18.515 -5.430 1.00 0.00 O ATOM 854 CB PRO A 56 -10.155 19.671 -4.782 1.00 0.00 C ATOM 855 CG PRO A 56 -10.320 19.424 -3.323 1.00 0.00 C ATOM 856 CD PRO A 56 -11.195 18.207 -3.202 1.00 0.00 C ATOM 0 HA PRO A 56 -10.517 18.232 -6.431 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.231 20.210 -4.991 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.973 20.274 -5.177 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.355 19.259 -2.844 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.777 20.283 -2.832 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -10.913 17.594 -2.346 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.242 18.478 -3.069 1.00 0.00 H new ATOM 864 N CYS A 57 -8.554 16.453 -5.703 1.00 0.00 N ATOM 865 CA CYS A 57 -7.244 15.846 -5.835 1.00 0.00 C ATOM 866 C CYS A 57 -6.949 15.506 -7.301 1.00 0.00 C ATOM 867 O CYS A 57 -7.793 15.720 -8.180 1.00 0.00 O ATOM 868 CB CYS A 57 -7.147 14.595 -4.957 1.00 0.00 C ATOM 869 SG CYS A 57 -8.371 13.303 -5.352 1.00 0.00 S ATOM 0 H CYS A 57 -9.332 15.797 -5.771 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.495 16.563 -5.498 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -6.147 14.173 -5.055 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -7.269 14.887 -3.914 1.00 0.00 H new ATOM 993 N GLY A 64 -20.237 5.455 -13.644 1.00 0.00 N ATOM 994 CA GLY A 64 -21.171 4.684 -12.854 1.00 0.00 C ATOM 995 C GLY A 64 -20.941 3.198 -12.997 1.00 0.00 C ATOM 996 O GLY A 64 -19.878 2.771 -13.458 1.00 0.00 O ATOM 0 HA2 GLY A 64 -21.078 4.966 -11.805 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -22.189 4.924 -13.160 1.00 0.00 H new ATOM 1000 N ALA A 65 -21.931 2.411 -12.611 1.00 0.00 N ATOM 1001 CA ALA A 65 -21.834 0.963 -12.692 1.00 0.00 C ATOM 1002 C ALA A 65 -22.751 0.421 -13.782 1.00 0.00 C ATOM 1003 O ALA A 65 -22.291 -0.153 -14.764 1.00 0.00 O ATOM 1004 CB ALA A 65 -22.172 0.336 -11.347 1.00 0.00 C ATOM 0 H ALA A 65 -22.816 2.753 -12.236 1.00 0.00 H new ATOM 0 HA ALA A 65 -20.808 0.700 -12.950 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -22.095 -0.749 -11.422 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -21.475 0.698 -10.591 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -23.188 0.609 -11.063 1.00 0.00 H new ATOM 1010 N GLU A 66 -24.049 0.626 -13.609 1.00 0.00 N ATOM 1011 CA GLU A 66 -25.040 0.165 -14.575 1.00 0.00 C ATOM 1012 C GLU A 66 -25.232 1.198 -15.676 1.00 0.00 C ATOM 1013 O GLU A 66 -25.975 0.977 -16.635 1.00 0.00 O ATOM 1014 CB GLU A 66 -26.373 -0.118 -13.883 1.00 0.00 C ATOM 1015 CG GLU A 66 -26.313 -1.246 -12.865 1.00 0.00 C ATOM 1016 CD GLU A 66 -25.949 -2.577 -13.492 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -26.857 -3.265 -14.003 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -24.753 -2.945 -13.470 1.00 0.00 O ATOM 0 H GLU A 66 -24.444 1.112 -12.804 1.00 0.00 H new ATOM 0 HA GLU A 66 -24.676 -0.760 -15.022 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -26.712 0.790 -13.385 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -27.118 -0.364 -14.639 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -25.581 -0.998 -12.096 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -27.279 -1.334 -12.369 1.00 0.00 H new ATOM 1025 N CYS A 67 -24.577 2.332 -15.513 1.00 0.00 N ATOM 1026 CA CYS A 67 -24.640 3.404 -16.487 1.00 0.00 C ATOM 1027 C CYS A 67 -24.000 2.978 -17.795 1.00 0.00 C ATOM 1028 O CYS A 67 -22.972 2.297 -17.801 1.00 0.00 O ATOM 1029 CB CYS A 67 -23.930 4.639 -15.948 1.00 0.00 C ATOM 1030 SG CYS A 67 -24.582 5.229 -14.363 1.00 0.00 S ATOM 0 H CYS A 67 -23.989 2.535 -14.705 1.00 0.00 H new ATOM 0 HA CYS A 67 -25.688 3.640 -16.671 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -22.870 4.415 -15.832 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -24.008 5.440 -16.683 1.00 0.00 H new ATOM 1035 N LYS A 68 -24.600 3.383 -18.894 1.00 0.00 N ATOM 1036 CA LYS A 68 -24.087 3.048 -20.203 1.00 0.00 C ATOM 1037 C LYS A 68 -23.691 4.323 -20.915 1.00 0.00 C ATOM 1038 O LYS A 68 -24.500 5.254 -21.048 1.00 0.00 O ATOM 1039 CB LYS A 68 -25.141 2.267 -20.986 1.00 0.00 C ATOM 1040 CG LYS A 68 -25.586 1.015 -20.251 1.00 0.00 C ATOM 1041 CD LYS A 68 -26.676 0.266 -20.984 1.00 0.00 C ATOM 1042 CE LYS A 68 -27.124 -0.946 -20.181 1.00 0.00 C ATOM 1043 NZ LYS A 68 -28.133 -1.754 -20.898 1.00 0.00 N ATOM 0 H LYS A 68 -25.449 3.948 -18.905 1.00 0.00 H new ATOM 0 HA LYS A 68 -23.205 2.414 -20.116 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -26.005 2.907 -21.168 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -24.738 1.991 -21.960 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -24.729 0.356 -20.111 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -25.943 1.289 -19.258 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -27.525 0.927 -21.159 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -26.313 -0.052 -21.961 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -26.258 -1.568 -19.954 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -27.537 -0.615 -19.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -28.407 -2.568 -20.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -28.971 -1.170 -21.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -27.732 -2.094 -21.795 1.00 0.00 H new ATOM 1057 N TYR A 69 -22.454 4.375 -21.367 1.00 0.00 N ATOM 1058 CA TYR A 69 -21.918 5.584 -21.945 1.00 0.00 C ATOM 1059 C TYR A 69 -21.334 5.382 -23.317 1.00 0.00 C ATOM 1060 O TYR A 69 -20.792 4.327 -23.636 1.00 0.00 O ATOM 1061 CB TYR A 69 -20.830 6.158 -21.044 1.00 0.00 C ATOM 1062 CG TYR A 69 -21.353 6.711 -19.761 1.00 0.00 C ATOM 1063 CD1 TYR A 69 -20.877 6.273 -18.535 1.00 0.00 C ATOM 1064 CD2 TYR A 69 -22.330 7.676 -19.777 1.00 0.00 C ATOM 1065 CE1 TYR A 69 -21.375 6.793 -17.361 1.00 0.00 C ATOM 1066 CE2 TYR A 69 -22.825 8.196 -18.628 1.00 0.00 C ATOM 1067 CZ TYR A 69 -22.354 7.758 -17.416 1.00 0.00 C ATOM 1068 OH TYR A 69 -22.862 8.286 -16.262 1.00 0.00 O ATOM 0 H TYR A 69 -21.802 3.591 -21.344 1.00 0.00 H new ATOM 0 HA TYR A 69 -22.760 6.270 -22.037 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -20.102 5.378 -20.824 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -20.301 6.945 -21.582 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -20.108 5.516 -18.500 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -22.711 8.027 -20.724 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -21.001 6.447 -16.408 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -23.591 8.956 -18.666 1.00 0.00 H new ATOM 0 HH TYR A 69 -23.830 8.406 -16.356 1.00 0.00 H new ATOM 1078 N GLN A 70 -21.465 6.404 -24.123 1.00 0.00 N ATOM 1079 CA GLN A 70 -20.817 6.484 -25.402 1.00 0.00 C ATOM 1080 C GLN A 70 -20.060 7.798 -25.411 1.00 0.00 C ATOM 1081 O GLN A 70 -20.674 8.867 -25.318 1.00 0.00 O ATOM 1082 CB GLN A 70 -21.847 6.446 -26.523 1.00 0.00 C ATOM 1083 CG GLN A 70 -21.242 6.448 -27.909 1.00 0.00 C ATOM 1084 CD GLN A 70 -22.277 6.328 -29.011 1.00 0.00 C ATOM 1085 OE1 GLN A 70 -23.415 6.764 -28.866 1.00 0.00 O ATOM 1086 NE2 GLN A 70 -21.889 5.728 -30.117 1.00 0.00 N ATOM 0 H GLN A 70 -22.037 7.219 -23.902 1.00 0.00 H new ATOM 0 HA GLN A 70 -20.144 5.642 -25.561 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -22.463 5.554 -26.407 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -22.509 7.306 -26.425 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -20.675 7.368 -28.050 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -20.535 5.622 -27.991 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -20.934 5.379 -30.200 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -22.543 5.612 -30.891 1.00 0.00 H new ATOM 1095 N PHE A 71 -18.746 7.743 -25.486 1.00 0.00 N ATOM 1096 CA PHE A 71 -17.933 8.933 -25.358 1.00 0.00 C ATOM 1097 C PHE A 71 -17.444 9.461 -26.700 1.00 0.00 C ATOM 1098 O PHE A 71 -17.364 8.720 -27.684 1.00 0.00 O ATOM 1099 CB PHE A 71 -16.743 8.665 -24.422 1.00 0.00 C ATOM 1100 CG PHE A 71 -15.928 7.451 -24.795 1.00 0.00 C ATOM 1101 CD1 PHE A 71 -14.880 7.551 -25.694 1.00 0.00 C ATOM 1102 CD2 PHE A 71 -16.213 6.211 -24.244 1.00 0.00 C ATOM 1103 CE1 PHE A 71 -14.133 6.442 -26.037 1.00 0.00 C ATOM 1104 CE2 PHE A 71 -15.468 5.099 -24.582 1.00 0.00 C ATOM 1105 CZ PHE A 71 -14.427 5.214 -25.480 1.00 0.00 C ATOM 0 H PHE A 71 -18.218 6.883 -25.635 1.00 0.00 H new ATOM 0 HA PHE A 71 -18.568 9.707 -24.928 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -16.092 9.539 -24.419 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -17.115 8.541 -23.405 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -14.644 8.509 -26.133 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -17.028 6.114 -23.542 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -13.319 6.535 -26.741 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -15.700 4.140 -24.144 1.00 0.00 H new ATOM 0 HZ PHE A 71 -13.844 4.345 -25.746 1.00 0.00 H new ATOM 1115 N GLN A 72 -17.136 10.737 -26.726 1.00 0.00 N ATOM 1116 CA GLN A 72 -16.520 11.359 -27.818 1.00 0.00 C ATOM 1117 C GLN A 72 -15.033 11.009 -27.754 1.00 0.00 C ATOM 1118 O GLN A 72 -14.470 10.949 -26.655 1.00 0.00 O ATOM 1119 CB GLN A 72 -16.736 12.857 -27.676 1.00 0.00 C ATOM 1120 CG GLN A 72 -15.819 13.665 -28.505 1.00 0.00 C ATOM 1121 CD GLN A 72 -16.065 15.155 -28.387 1.00 0.00 C ATOM 1122 OE1 GLN A 72 -16.504 15.643 -27.343 1.00 0.00 O ATOM 1123 NE2 GLN A 72 -15.777 15.890 -29.442 1.00 0.00 N ATOM 0 H GLN A 72 -17.324 11.370 -25.949 1.00 0.00 H new ATOM 0 HA GLN A 72 -16.928 11.033 -28.775 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -17.764 13.095 -27.948 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -16.610 13.137 -26.630 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -14.791 13.449 -28.214 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -15.925 13.367 -29.548 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -15.416 15.449 -30.288 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -15.915 16.900 -29.413 1.00 0.00 H new ATOM 1132 N ALA A 73 -14.396 10.831 -28.915 1.00 0.00 N ATOM 1133 CA ALA A 73 -13.007 10.359 -28.988 1.00 0.00 C ATOM 1134 C ALA A 73 -12.665 9.941 -30.399 1.00 0.00 C ATOM 1135 O ALA A 73 -13.303 9.051 -30.962 1.00 0.00 O ATOM 1136 CB ALA A 73 -12.763 9.171 -28.057 1.00 0.00 C ATOM 0 H ALA A 73 -14.823 11.008 -29.824 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.373 11.189 -28.676 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.724 8.851 -28.140 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.971 9.466 -27.028 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.420 8.348 -28.338 1.00 0.00 H new ATOM 1142 N TRP A 74 -11.668 10.571 -30.970 1.00 0.00 N ATOM 1143 CA TRP A 74 -11.210 10.190 -32.286 1.00 0.00 C ATOM 1144 C TRP A 74 -10.086 9.167 -32.181 1.00 0.00 C ATOM 1145 O TRP A 74 -9.651 8.596 -33.175 1.00 0.00 O ATOM 1146 CB TRP A 74 -10.818 11.419 -33.144 1.00 0.00 C ATOM 1147 CG TRP A 74 -9.989 12.474 -32.452 1.00 0.00 C ATOM 1148 CD1 TRP A 74 -10.337 13.212 -31.353 1.00 0.00 C ATOM 1149 CD2 TRP A 74 -8.698 12.949 -32.856 1.00 0.00 C ATOM 1150 NE1 TRP A 74 -9.333 14.088 -31.036 1.00 0.00 N ATOM 1151 CE2 TRP A 74 -8.316 13.951 -31.943 1.00 0.00 C ATOM 1152 CE3 TRP A 74 -7.825 12.618 -33.894 1.00 0.00 C ATOM 1153 CZ2 TRP A 74 -7.101 14.625 -32.039 1.00 0.00 C ATOM 1154 CZ3 TRP A 74 -6.620 13.288 -33.989 1.00 0.00 C ATOM 1155 CH2 TRP A 74 -6.268 14.280 -33.065 1.00 0.00 C ATOM 0 H TRP A 74 -11.159 11.347 -30.547 1.00 0.00 H new ATOM 0 HA TRP A 74 -12.039 9.715 -32.811 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -10.267 11.067 -34.016 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -11.732 11.887 -33.511 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -11.268 13.117 -30.814 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -9.341 14.738 -30.250 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -8.087 11.852 -34.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -6.828 15.392 -31.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -5.938 13.042 -34.790 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -5.318 14.783 -33.166 1.00 0.00 H new ATOM 1166 N GLY A 75 -9.616 8.952 -30.955 1.00 0.00 N ATOM 1167 CA GLY A 75 -8.619 7.927 -30.694 1.00 0.00 C ATOM 1168 C GLY A 75 -7.266 8.518 -30.392 1.00 0.00 C ATOM 1169 O GLY A 75 -6.550 8.058 -29.500 1.00 0.00 O ATOM 0 H GLY A 75 -9.911 9.475 -30.130 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.942 7.313 -29.853 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.542 7.268 -31.559 1.00 0.00 H new ATOM 1173 N GLU A 76 -6.946 9.552 -31.111 1.00 0.00 N ATOM 1174 CA GLU A 76 -5.693 10.224 -30.972 1.00 0.00 C ATOM 1175 C GLU A 76 -5.834 11.415 -30.046 1.00 0.00 C ATOM 1176 O GLU A 76 -6.876 12.065 -30.023 1.00 0.00 O ATOM 1177 CB GLU A 76 -5.182 10.665 -32.326 1.00 0.00 C ATOM 1178 CG GLU A 76 -4.935 9.521 -33.290 1.00 0.00 C ATOM 1179 CD GLU A 76 -4.147 9.949 -34.499 1.00 0.00 C ATOM 1180 OE1 GLU A 76 -4.744 10.511 -35.438 1.00 0.00 O ATOM 1181 OE2 GLU A 76 -2.917 9.729 -34.516 1.00 0.00 O ATOM 0 H GLU A 76 -7.558 9.957 -31.820 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.972 9.532 -30.537 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.903 11.352 -32.770 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.254 11.220 -32.190 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.399 8.724 -32.774 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.891 9.107 -33.611 1.00 0.00 H new ATOM 1188 N CYS A 77 -4.822 11.662 -29.240 1.00 0.00 N ATOM 1189 CA CYS A 77 -4.842 12.816 -28.368 1.00 0.00 C ATOM 1190 C CYS A 77 -4.499 14.061 -29.170 1.00 0.00 C ATOM 1191 O CYS A 77 -4.087 13.963 -30.327 1.00 0.00 O ATOM 1192 CB CYS A 77 -3.872 12.638 -27.192 1.00 0.00 C ATOM 1193 SG CYS A 77 -2.112 12.513 -27.649 1.00 0.00 S ATOM 0 H CYS A 77 -3.984 11.085 -29.171 1.00 0.00 H new ATOM 0 HA CYS A 77 -5.843 12.925 -27.950 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -3.995 13.479 -26.510 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -4.153 11.739 -26.643 1.00 0.00 H new ATOM 1198 N ASP A 78 -4.647 15.215 -28.571 1.00 0.00 N ATOM 1199 CA ASP A 78 -4.385 16.449 -29.279 1.00 0.00 C ATOM 1200 C ASP A 78 -2.973 16.905 -29.037 1.00 0.00 C ATOM 1201 O ASP A 78 -2.565 17.095 -27.904 1.00 0.00 O ATOM 1202 CB ASP A 78 -5.357 17.521 -28.860 1.00 0.00 C ATOM 1203 CG ASP A 78 -5.140 18.807 -29.600 1.00 0.00 C ATOM 1204 OD1 ASP A 78 -4.387 19.637 -29.109 1.00 0.00 O ATOM 1205 OD2 ASP A 78 -5.712 18.978 -30.692 1.00 0.00 O ATOM 0 H ASP A 78 -4.945 15.330 -27.602 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.515 16.263 -30.345 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.375 17.173 -29.033 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.258 17.699 -27.789 1.00 0.00 H new ATOM 1210 N LEU A 79 -2.226 17.046 -30.102 1.00 0.00 N ATOM 1211 CA LEU A 79 -0.823 17.444 -30.022 1.00 0.00 C ATOM 1212 C LEU A 79 -0.664 18.908 -29.660 1.00 0.00 C ATOM 1213 O LEU A 79 0.316 19.298 -29.015 1.00 0.00 O ATOM 1214 CB LEU A 79 -0.154 17.182 -31.349 1.00 0.00 C ATOM 1215 CG LEU A 79 -0.452 15.821 -31.946 1.00 0.00 C ATOM 1216 CD1 LEU A 79 0.108 15.714 -33.354 1.00 0.00 C ATOM 1217 CD2 LEU A 79 0.097 14.711 -31.060 1.00 0.00 C ATOM 0 H LEU A 79 -2.562 16.891 -31.053 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.355 16.855 -29.233 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.465 17.951 -32.056 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.924 17.281 -31.224 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.534 15.706 -32.003 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.118 14.729 -33.762 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.344 16.480 -33.984 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.188 15.856 -33.328 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.128 13.743 -31.508 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.177 14.823 -30.963 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.364 14.771 -30.074 1.00 0.00 H new ATOM 1229 N ASN A 80 -1.630 19.713 -30.060 1.00 0.00 N ATOM 1230 CA ASN A 80 -1.570 21.143 -29.813 1.00 0.00 C ATOM 1231 C ASN A 80 -1.685 21.419 -28.338 1.00 0.00 C ATOM 1232 O ASN A 80 -1.081 22.358 -27.812 1.00 0.00 O ATOM 1233 CB ASN A 80 -2.684 21.865 -30.586 1.00 0.00 C ATOM 1234 CG ASN A 80 -2.657 23.369 -30.391 1.00 0.00 C ATOM 1235 OD1 ASN A 80 -3.289 23.901 -29.480 1.00 0.00 O ATOM 1236 ND2 ASN A 80 -1.928 24.061 -31.246 1.00 0.00 N ATOM 0 H ASN A 80 -2.465 19.403 -30.557 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.609 21.521 -30.163 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.588 21.639 -31.648 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.651 21.479 -30.265 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.874 25.076 -31.165 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -1.419 23.581 -31.988 1.00 0.00 H new ATOM 1243 N THR A 81 -2.440 20.596 -27.674 1.00 0.00 N ATOM 1244 CA THR A 81 -2.644 20.741 -26.253 1.00 0.00 C ATOM 1245 C THR A 81 -1.841 19.710 -25.491 1.00 0.00 C ATOM 1246 O THR A 81 -1.696 19.794 -24.272 1.00 0.00 O ATOM 1247 CB THR A 81 -4.135 20.591 -25.914 1.00 0.00 C ATOM 1248 OG1 THR A 81 -4.600 19.312 -26.357 1.00 0.00 O ATOM 1249 CG2 THR A 81 -4.934 21.667 -26.620 1.00 0.00 C ATOM 0 H THR A 81 -2.932 19.807 -28.094 1.00 0.00 H new ATOM 0 HA THR A 81 -2.307 21.735 -25.959 1.00 0.00 H new ATOM 0 HB THR A 81 -4.263 20.684 -24.836 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.576 19.329 -26.439 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.990 21.555 -26.376 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.588 22.649 -26.296 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.799 21.573 -27.697 1.00 0.00 H new ATOM 1257 N ALA A 82 -1.273 18.769 -26.242 1.00 0.00 N ATOM 1258 CA ALA A 82 -0.507 17.649 -25.709 1.00 0.00 C ATOM 1259 C ALA A 82 -1.341 16.810 -24.746 1.00 0.00 C ATOM 1260 O ALA A 82 -0.795 16.085 -23.911 1.00 0.00 O ATOM 1261 CB ALA A 82 0.765 18.145 -25.026 1.00 0.00 C ATOM 0 H ALA A 82 -1.335 18.766 -27.260 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.226 17.011 -26.547 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.323 17.294 -24.635 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.380 18.682 -25.748 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.501 18.814 -24.207 1.00 0.00 H new ATOM 1267 N LEU A 83 -2.662 16.851 -24.896 1.00 0.00 N ATOM 1268 CA LEU A 83 -3.539 16.226 -23.930 1.00 0.00 C ATOM 1269 C LEU A 83 -4.555 15.379 -24.621 1.00 0.00 C ATOM 1270 O LEU A 83 -4.743 15.478 -25.832 1.00 0.00 O ATOM 1271 CB LEU A 83 -4.226 17.276 -23.065 1.00 0.00 C ATOM 1272 CG LEU A 83 -3.296 18.263 -22.366 1.00 0.00 C ATOM 1273 CD1 LEU A 83 -4.098 19.292 -21.603 1.00 0.00 C ATOM 1274 CD2 LEU A 83 -2.345 17.542 -21.424 1.00 0.00 C ATOM 0 H LEU A 83 -3.139 17.308 -25.673 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.935 15.590 -23.283 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -4.920 17.838 -23.689 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -4.820 16.765 -22.308 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.705 18.768 -23.130 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -3.420 19.989 -21.110 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.740 19.838 -22.294 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.713 18.792 -20.854 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.693 18.268 -20.939 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.919 17.007 -20.667 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.740 16.833 -21.990 1.00 0.00 H new ATOM 1286 N LYS A 84 -5.200 14.539 -23.870 1.00 0.00 N ATOM 1287 CA LYS A 84 -6.242 13.743 -24.399 1.00 0.00 C ATOM 1288 C LYS A 84 -7.508 14.074 -23.643 1.00 0.00 C ATOM 1289 O LYS A 84 -7.510 14.136 -22.417 1.00 0.00 O ATOM 1290 CB LYS A 84 -5.894 12.260 -24.252 1.00 0.00 C ATOM 1291 CG LYS A 84 -6.782 11.357 -25.066 1.00 0.00 C ATOM 1292 CD LYS A 84 -6.351 9.897 -24.970 1.00 0.00 C ATOM 1293 CE LYS A 84 -7.267 8.991 -25.787 1.00 0.00 C ATOM 1294 NZ LYS A 84 -6.788 7.584 -25.812 1.00 0.00 N ATOM 0 H LYS A 84 -5.013 14.393 -22.878 1.00 0.00 H new ATOM 0 HA LYS A 84 -6.381 13.948 -25.461 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.858 12.106 -24.552 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.967 11.979 -23.201 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.812 11.455 -24.722 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.763 11.673 -26.109 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.325 9.795 -25.325 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.361 9.581 -23.927 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.273 9.023 -25.370 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.333 9.369 -26.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.441 7.005 -26.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.838 7.548 -26.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.750 7.213 -24.841 1.00 0.00 H new ATOM 1308 N THR A 85 -8.564 14.289 -24.368 1.00 0.00 N ATOM 1309 CA THR A 85 -9.821 14.673 -23.766 1.00 0.00 C ATOM 1310 C THR A 85 -10.964 13.894 -24.359 1.00 0.00 C ATOM 1311 O THR A 85 -10.974 13.620 -25.562 1.00 0.00 O ATOM 1312 CB THR A 85 -10.081 16.181 -23.943 1.00 0.00 C ATOM 1313 OG1 THR A 85 -9.679 16.591 -25.263 1.00 0.00 O ATOM 1314 CG2 THR A 85 -9.324 16.989 -22.901 1.00 0.00 C ATOM 0 H THR A 85 -8.588 14.206 -25.384 1.00 0.00 H new ATOM 0 HA THR A 85 -9.753 14.448 -22.702 1.00 0.00 H new ATOM 0 HB THR A 85 -11.147 16.364 -23.811 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.847 17.550 -25.373 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.524 18.050 -23.048 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.649 16.693 -21.904 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.255 16.804 -23.004 1.00 0.00 H new ATOM 1322 N ARG A 86 -11.922 13.525 -23.527 1.00 0.00 N ATOM 1323 CA ARG A 86 -13.081 12.788 -23.973 1.00 0.00 C ATOM 1324 C ARG A 86 -14.317 13.306 -23.267 1.00 0.00 C ATOM 1325 O ARG A 86 -14.335 13.438 -22.045 1.00 0.00 O ATOM 1326 CB ARG A 86 -12.934 11.290 -23.690 1.00 0.00 C ATOM 1327 CG ARG A 86 -11.852 10.591 -24.494 1.00 0.00 C ATOM 1328 CD ARG A 86 -11.839 9.101 -24.203 1.00 0.00 C ATOM 1329 NE ARG A 86 -11.569 8.823 -22.790 1.00 0.00 N ATOM 1330 CZ ARG A 86 -12.242 7.937 -22.044 1.00 0.00 C ATOM 1331 NH1 ARG A 86 -13.246 7.239 -22.560 1.00 0.00 N ATOM 1332 NH2 ARG A 86 -11.903 7.751 -20.774 1.00 0.00 N ATOM 0 H ARG A 86 -11.915 13.729 -22.528 1.00 0.00 H new ATOM 0 HA ARG A 86 -13.174 12.929 -25.050 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.723 11.154 -22.629 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -13.888 10.802 -23.890 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.020 10.756 -25.558 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.880 11.021 -24.254 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.800 8.668 -24.481 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -11.081 8.617 -24.819 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.814 9.342 -22.342 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -13.513 7.374 -23.535 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.751 6.567 -21.981 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.132 8.282 -20.369 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.413 7.077 -20.203 1.00 0.00 H new ATOM 1346 N THR A 87 -15.318 13.626 -24.031 1.00 0.00 N ATOM 1347 CA THR A 87 -16.581 14.044 -23.475 1.00 0.00 C ATOM 1348 C THR A 87 -17.521 12.854 -23.514 1.00 0.00 C ATOM 1349 O THR A 87 -17.448 12.057 -24.441 1.00 0.00 O ATOM 1350 CB THR A 87 -17.188 15.190 -24.305 1.00 0.00 C ATOM 1351 OG1 THR A 87 -16.174 16.162 -24.601 1.00 0.00 O ATOM 1352 CG2 THR A 87 -18.329 15.863 -23.552 1.00 0.00 C ATOM 0 H THR A 87 -15.289 13.607 -25.050 1.00 0.00 H new ATOM 0 HA THR A 87 -16.433 14.398 -22.455 1.00 0.00 H new ATOM 0 HB THR A 87 -17.582 14.771 -25.231 1.00 0.00 H new ATOM 0 HG1 THR A 87 -16.057 16.227 -25.572 1.00 0.00 H new ATOM 0 HG21 THR A 87 -18.741 16.669 -24.160 1.00 0.00 H new ATOM 0 HG22 THR A 87 -19.109 15.131 -23.344 1.00 0.00 H new ATOM 0 HG23 THR A 87 -17.955 16.271 -22.613 1.00 0.00 H new ATOM 1360 N GLY A 88 -18.394 12.707 -22.539 1.00 0.00 N ATOM 1361 CA GLY A 88 -19.297 11.594 -22.580 1.00 0.00 C ATOM 1362 C GLY A 88 -20.647 11.924 -22.016 1.00 0.00 C ATOM 1363 O GLY A 88 -20.774 12.766 -21.140 1.00 0.00 O ATOM 0 H GLY A 88 -18.491 13.327 -21.735 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -19.410 11.261 -23.612 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -18.868 10.762 -22.022 1.00 0.00 H new ATOM 1367 N SER A 89 -21.641 11.270 -22.544 1.00 0.00 N ATOM 1368 CA SER A 89 -23.003 11.464 -22.082 1.00 0.00 C ATOM 1369 C SER A 89 -23.680 10.152 -21.842 1.00 0.00 C ATOM 1370 O SER A 89 -23.365 9.152 -22.503 1.00 0.00 O ATOM 1371 CB SER A 89 -23.791 12.303 -23.091 1.00 0.00 C ATOM 1372 OG SER A 89 -23.137 13.540 -23.335 1.00 0.00 O ATOM 0 H SER A 89 -21.542 10.592 -23.300 1.00 0.00 H new ATOM 0 HA SER A 89 -22.969 12.001 -21.134 1.00 0.00 H new ATOM 0 HB2 SER A 89 -23.897 11.752 -24.025 1.00 0.00 H new ATOM 0 HB3 SER A 89 -24.797 12.486 -22.713 1.00 0.00 H new ATOM 0 HG SER A 89 -23.655 14.061 -23.983 1.00 0.00 H new ATOM 1378 N LEU A 90 -24.603 10.129 -20.887 1.00 0.00 N ATOM 1379 CA LEU A 90 -25.340 8.964 -20.574 1.00 0.00 C ATOM 1380 C LEU A 90 -26.386 8.755 -21.660 1.00 0.00 C ATOM 1381 O LEU A 90 -27.206 9.639 -21.913 1.00 0.00 O ATOM 1382 CB LEU A 90 -25.978 9.197 -19.181 1.00 0.00 C ATOM 1383 CG LEU A 90 -26.732 8.046 -18.526 1.00 0.00 C ATOM 1384 CD1 LEU A 90 -27.990 7.766 -19.260 1.00 0.00 C ATOM 1385 CD2 LEU A 90 -25.871 6.796 -18.456 1.00 0.00 C ATOM 0 H LEU A 90 -24.845 10.939 -20.317 1.00 0.00 H new ATOM 0 HA LEU A 90 -24.721 8.067 -20.535 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -25.184 9.504 -18.500 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -26.666 10.038 -19.268 1.00 0.00 H new ATOM 0 HG LEU A 90 -26.979 8.343 -17.507 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -28.516 6.941 -18.779 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -28.622 8.654 -19.251 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -27.758 7.496 -20.290 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -26.435 5.992 -17.984 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -25.584 6.495 -19.464 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -24.976 7.003 -17.870 1.00 0.00 H new ATOM 1397 N LYS A 91 -26.349 7.609 -22.314 1.00 0.00 N ATOM 1398 CA LYS A 91 -27.283 7.355 -23.393 1.00 0.00 C ATOM 1399 C LYS A 91 -28.442 6.462 -22.969 1.00 0.00 C ATOM 1400 O LYS A 91 -29.457 6.400 -23.661 1.00 0.00 O ATOM 1401 CB LYS A 91 -26.586 6.788 -24.635 1.00 0.00 C ATOM 1402 CG LYS A 91 -25.683 5.589 -24.380 1.00 0.00 C ATOM 1403 CD LYS A 91 -25.692 4.645 -25.571 1.00 0.00 C ATOM 1404 CE LYS A 91 -25.321 5.370 -26.852 1.00 0.00 C ATOM 1405 NZ LYS A 91 -25.429 4.496 -28.036 1.00 0.00 N ATOM 0 H LYS A 91 -25.694 6.851 -22.121 1.00 0.00 H new ATOM 0 HA LYS A 91 -27.703 8.325 -23.657 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -27.347 6.502 -25.360 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -25.992 7.579 -25.092 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -24.665 5.929 -24.187 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -26.017 5.059 -23.488 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -24.991 3.829 -25.396 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -26.681 4.199 -25.677 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -25.972 6.235 -26.980 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -24.301 5.747 -26.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -24.837 4.875 -28.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -25.106 3.538 -27.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -26.420 4.458 -28.350 1.00 0.00 H new ATOM 1419 N ARG A 92 -28.315 5.789 -21.831 1.00 0.00 N ATOM 1420 CA ARG A 92 -29.384 4.933 -21.344 1.00 0.00 C ATOM 1421 C ARG A 92 -29.180 4.632 -19.861 1.00 0.00 C ATOM 1422 O ARG A 92 -28.081 4.260 -19.440 1.00 0.00 O ATOM 1423 CB ARG A 92 -29.425 3.619 -22.142 1.00 0.00 C ATOM 1424 CG ARG A 92 -30.559 2.678 -21.746 1.00 0.00 C ATOM 1425 CD ARG A 92 -31.923 3.310 -21.994 1.00 0.00 C ATOM 1426 NE ARG A 92 -32.104 3.688 -23.394 1.00 0.00 N ATOM 1427 CZ ARG A 92 -33.137 4.390 -23.861 1.00 0.00 C ATOM 1428 NH1 ARG A 92 -34.102 4.802 -23.041 1.00 0.00 N ATOM 1429 NH2 ARG A 92 -33.202 4.677 -25.152 1.00 0.00 N ATOM 0 H ARG A 92 -27.488 5.820 -21.234 1.00 0.00 H new ATOM 0 HA ARG A 92 -30.332 5.454 -21.476 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -29.518 3.854 -23.202 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -28.476 3.099 -22.013 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -30.478 1.751 -22.313 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -30.465 2.416 -20.692 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -32.706 2.609 -21.703 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -32.034 4.192 -21.363 1.00 0.00 H new ATOM 0 HE ARG A 92 -31.390 3.394 -24.061 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -34.055 4.581 -22.046 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -34.888 5.339 -23.408 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -32.465 4.361 -25.782 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -33.989 5.214 -25.516 1.00 0.00 H new ATOM 1443 N ALA A 93 -30.230 4.812 -19.079 1.00 0.00 N ATOM 1444 CA ALA A 93 -30.209 4.506 -17.659 1.00 0.00 C ATOM 1445 C ALA A 93 -31.508 3.829 -17.274 1.00 0.00 C ATOM 1446 O ALA A 93 -32.557 4.150 -17.834 1.00 0.00 O ATOM 1447 CB ALA A 93 -30.005 5.769 -16.840 1.00 0.00 C ATOM 0 H ALA A 93 -31.123 5.175 -19.411 1.00 0.00 H new ATOM 0 HA ALA A 93 -29.376 3.834 -17.451 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -29.992 5.517 -15.780 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -29.057 6.231 -17.114 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -30.819 6.466 -17.038 1.00 0.00 H new ATOM 1453 N LEU A 94 -31.458 2.884 -16.359 1.00 0.00 N ATOM 1454 CA LEU A 94 -32.669 2.221 -15.909 1.00 0.00 C ATOM 1455 C LEU A 94 -33.256 2.946 -14.695 1.00 0.00 C ATOM 1456 O LEU A 94 -32.616 3.824 -14.119 1.00 0.00 O ATOM 1457 CB LEU A 94 -32.404 0.739 -15.575 1.00 0.00 C ATOM 1458 CG LEU A 94 -32.150 -0.199 -16.774 1.00 0.00 C ATOM 1459 CD1 LEU A 94 -30.802 0.077 -17.427 1.00 0.00 C ATOM 1460 CD2 LEU A 94 -32.245 -1.653 -16.343 1.00 0.00 C ATOM 0 H LEU A 94 -30.600 2.558 -15.914 1.00 0.00 H new ATOM 0 HA LEU A 94 -33.393 2.257 -16.723 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -31.541 0.687 -14.912 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -33.258 0.356 -15.017 1.00 0.00 H new ATOM 0 HG LEU A 94 -32.923 -0.002 -17.516 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -30.659 -0.603 -18.267 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -30.775 1.106 -17.784 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -30.006 -0.075 -16.698 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -32.063 -2.300 -17.201 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -31.500 -1.854 -15.573 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -33.240 -1.850 -15.945 1.00 0.00 H new ATOM 1472 N HIS A 95 -34.465 2.563 -14.301 1.00 0.00 N ATOM 1473 CA HIS A 95 -35.135 3.173 -13.146 1.00 0.00 C ATOM 1474 C HIS A 95 -34.436 2.782 -11.834 1.00 0.00 C ATOM 1475 O HIS A 95 -34.678 3.371 -10.781 1.00 0.00 O ATOM 1476 CB HIS A 95 -36.619 2.762 -13.114 1.00 0.00 C ATOM 1477 CG HIS A 95 -37.416 3.407 -12.012 1.00 0.00 C ATOM 1478 ND1 HIS A 95 -38.099 2.688 -11.058 1.00 0.00 N ATOM 1479 CD2 HIS A 95 -37.644 4.710 -11.723 1.00 0.00 C ATOM 1480 CE1 HIS A 95 -38.708 3.516 -10.234 1.00 0.00 C ATOM 1481 NE2 HIS A 95 -38.450 4.747 -10.615 1.00 0.00 N ATOM 0 H HIS A 95 -35.007 1.832 -14.762 1.00 0.00 H new ATOM 0 HA HIS A 95 -35.074 4.257 -13.247 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -37.075 3.014 -14.072 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -36.682 1.679 -13.006 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -37.262 5.562 -12.265 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -39.316 3.231 -9.388 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -38.794 5.593 -10.160 1.00 0.00 H new ATOM 1490 N ASN A 96 -33.571 1.789 -11.910 1.00 0.00 N ATOM 1491 CA ASN A 96 -32.823 1.335 -10.744 1.00 0.00 C ATOM 1492 C ASN A 96 -31.377 1.766 -10.852 1.00 0.00 C ATOM 1493 O ASN A 96 -30.480 1.113 -10.321 1.00 0.00 O ATOM 1494 CB ASN A 96 -32.899 -0.190 -10.601 1.00 0.00 C ATOM 1495 CG ASN A 96 -34.301 -0.700 -10.347 1.00 0.00 C ATOM 1496 OD1 ASN A 96 -35.132 -0.009 -9.755 1.00 0.00 O ATOM 1497 ND2 ASN A 96 -34.572 -1.912 -10.791 1.00 0.00 N ATOM 0 H ASN A 96 -33.366 1.277 -12.768 1.00 0.00 H new ATOM 0 HA ASN A 96 -33.270 1.788 -9.859 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -32.511 -0.653 -11.508 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -32.252 -0.504 -9.782 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -35.500 -2.312 -10.649 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -33.854 -2.450 -11.276 1.00 0.00 H new ATOM 1504 N ALA A 97 -31.160 2.878 -11.513 1.00 0.00 N ATOM 1505 CA ALA A 97 -29.811 3.378 -11.722 1.00 0.00 C ATOM 1506 C ALA A 97 -29.778 4.877 -11.951 1.00 0.00 C ATOM 1507 O ALA A 97 -30.322 5.380 -12.933 1.00 0.00 O ATOM 1508 CB ALA A 97 -29.156 2.653 -12.888 1.00 0.00 C ATOM 0 H ALA A 97 -31.896 3.457 -11.917 1.00 0.00 H new ATOM 0 HA ALA A 97 -29.250 3.180 -10.809 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -28.146 3.037 -13.034 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -29.111 1.585 -12.673 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -29.741 2.817 -13.793 1.00 0.00 H new ATOM 1514 N GLU A 98 -29.145 5.588 -11.037 1.00 0.00 N ATOM 1515 CA GLU A 98 -28.954 7.019 -11.181 1.00 0.00 C ATOM 1516 C GLU A 98 -27.676 7.262 -11.958 1.00 0.00 C ATOM 1517 O GLU A 98 -26.608 6.792 -11.560 1.00 0.00 O ATOM 1518 CB GLU A 98 -28.855 7.697 -9.816 1.00 0.00 C ATOM 1519 CG GLU A 98 -30.081 7.525 -8.943 1.00 0.00 C ATOM 1520 CD GLU A 98 -29.971 8.296 -7.649 1.00 0.00 C ATOM 1521 OE1 GLU A 98 -30.286 9.498 -7.644 1.00 0.00 O ATOM 1522 OE2 GLU A 98 -29.575 7.701 -6.624 1.00 0.00 O ATOM 0 H GLU A 98 -28.752 5.195 -10.182 1.00 0.00 H new ATOM 0 HA GLU A 98 -29.809 7.440 -11.710 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -27.989 7.299 -9.288 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -28.676 8.762 -9.965 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -30.964 7.858 -9.489 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -30.223 6.467 -8.723 1.00 0.00 H new ATOM 1529 N CYS A 99 -27.764 7.978 -13.058 1.00 0.00 N ATOM 1530 CA CYS A 99 -26.604 8.212 -13.877 1.00 0.00 C ATOM 1531 C CYS A 99 -26.506 9.668 -14.303 1.00 0.00 C ATOM 1532 O CYS A 99 -27.514 10.303 -14.610 1.00 0.00 O ATOM 1533 CB CYS A 99 -26.644 7.309 -15.105 1.00 0.00 C ATOM 1534 SG CYS A 99 -26.552 5.529 -14.730 1.00 0.00 S ATOM 0 H CYS A 99 -28.625 8.405 -13.401 1.00 0.00 H new ATOM 0 HA CYS A 99 -25.721 7.978 -13.283 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -27.564 7.505 -15.656 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -25.816 7.573 -15.763 1.00 0.00 H new ATOM 1539 N GLN A 100 -25.292 10.187 -14.289 1.00 0.00 N ATOM 1540 CA GLN A 100 -25.030 11.548 -14.743 1.00 0.00 C ATOM 1541 C GLN A 100 -25.200 11.640 -16.249 1.00 0.00 C ATOM 1542 O GLN A 100 -24.869 10.707 -16.975 1.00 0.00 O ATOM 1543 CB GLN A 100 -23.623 12.008 -14.348 1.00 0.00 C ATOM 1544 CG GLN A 100 -22.549 10.985 -14.643 1.00 0.00 C ATOM 1545 CD GLN A 100 -22.299 10.060 -13.463 1.00 0.00 C ATOM 1546 OE1 GLN A 100 -22.428 10.463 -12.303 1.00 0.00 O ATOM 1547 NE2 GLN A 100 -21.978 8.819 -13.743 1.00 0.00 N ATOM 0 H GLN A 100 -24.464 9.686 -13.967 1.00 0.00 H new ATOM 0 HA GLN A 100 -25.750 12.206 -14.257 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -23.389 12.932 -14.878 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -23.611 12.239 -13.283 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -22.841 10.394 -15.511 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -21.623 11.497 -14.904 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -21.881 8.524 -14.715 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -21.826 8.149 -12.989 1.00 0.00 H new ATOM 1556 N LYS A 101 -25.691 12.774 -16.695 1.00 0.00 N ATOM 1557 CA LYS A 101 -25.983 13.024 -18.085 1.00 0.00 C ATOM 1558 C LYS A 101 -24.711 13.193 -18.891 1.00 0.00 C ATOM 1559 O LYS A 101 -24.610 12.678 -19.989 1.00 0.00 O ATOM 1560 CB LYS A 101 -26.850 14.282 -18.191 1.00 0.00 C ATOM 1561 CG LYS A 101 -27.143 14.747 -19.610 1.00 0.00 C ATOM 1562 CD LYS A 101 -27.929 16.057 -19.612 1.00 0.00 C ATOM 1563 CE LYS A 101 -27.190 17.150 -18.841 1.00 0.00 C ATOM 1564 NZ LYS A 101 -27.896 18.453 -18.895 1.00 0.00 N ATOM 0 H LYS A 101 -25.903 13.565 -16.086 1.00 0.00 H new ATOM 0 HA LYS A 101 -26.519 12.168 -18.494 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -27.797 14.096 -17.684 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -26.355 15.092 -17.655 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -26.207 14.881 -20.152 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -27.709 13.979 -20.137 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -28.095 16.382 -20.639 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -28.911 15.895 -19.167 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -27.076 16.844 -17.801 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -26.187 17.266 -19.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -27.357 19.162 -18.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -27.983 18.760 -19.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -28.844 18.352 -18.480 1.00 0.00 H new ATOM 1578 N THR A 102 -23.748 13.914 -18.356 1.00 0.00 N ATOM 1579 CA THR A 102 -22.508 14.068 -19.092 1.00 0.00 C ATOM 1580 C THR A 102 -21.313 14.302 -18.195 1.00 0.00 C ATOM 1581 O THR A 102 -21.423 14.894 -17.119 1.00 0.00 O ATOM 1582 CB THR A 102 -22.608 15.210 -20.142 1.00 0.00 C ATOM 1583 OG1 THR A 102 -21.353 15.388 -20.825 1.00 0.00 O ATOM 1584 CG2 THR A 102 -23.027 16.522 -19.490 1.00 0.00 C ATOM 0 H THR A 102 -23.792 14.386 -17.453 1.00 0.00 H new ATOM 0 HA THR A 102 -22.352 13.120 -19.607 1.00 0.00 H new ATOM 0 HB THR A 102 -23.370 14.922 -20.867 1.00 0.00 H new ATOM 0 HG1 THR A 102 -20.967 14.512 -21.033 1.00 0.00 H new ATOM 0 HG21 THR A 102 -23.088 17.302 -20.249 1.00 0.00 H new ATOM 0 HG22 THR A 102 -24.001 16.398 -19.017 1.00 0.00 H new ATOM 0 HG23 THR A 102 -22.291 16.805 -18.737 1.00 0.00 H new ATOM 1592 N VAL A 103 -20.166 13.812 -18.654 1.00 0.00 N ATOM 1593 CA VAL A 103 -18.899 14.015 -17.980 1.00 0.00 C ATOM 1594 C VAL A 103 -17.814 14.475 -18.940 1.00 0.00 C ATOM 1595 O VAL A 103 -17.829 14.160 -20.136 1.00 0.00 O ATOM 1596 CB VAL A 103 -18.419 12.719 -17.265 1.00 0.00 C ATOM 1597 CG1 VAL A 103 -19.382 12.326 -16.158 1.00 0.00 C ATOM 1598 CG2 VAL A 103 -18.267 11.575 -18.264 1.00 0.00 C ATOM 0 H VAL A 103 -20.094 13.261 -19.509 1.00 0.00 H new ATOM 0 HA VAL A 103 -19.071 14.795 -17.239 1.00 0.00 H new ATOM 0 HB VAL A 103 -17.445 12.922 -16.820 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -19.026 11.417 -15.672 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -19.441 13.130 -15.425 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -20.370 12.148 -16.582 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -17.931 10.679 -17.743 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -19.227 11.378 -18.741 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -17.534 11.850 -19.023 1.00 0.00 H new ATOM 1608 N THR A 104 -16.912 15.244 -18.399 1.00 0.00 N ATOM 1609 CA THR A 104 -15.774 15.731 -19.139 1.00 0.00 C ATOM 1610 C THR A 104 -14.514 15.129 -18.562 1.00 0.00 C ATOM 1611 O THR A 104 -14.384 14.988 -17.337 1.00 0.00 O ATOM 1612 CB THR A 104 -15.711 17.277 -19.142 1.00 0.00 C ATOM 1613 OG1 THR A 104 -14.637 17.733 -19.974 1.00 0.00 O ATOM 1614 CG2 THR A 104 -15.529 17.826 -17.739 1.00 0.00 C ATOM 0 H THR A 104 -16.942 15.554 -17.428 1.00 0.00 H new ATOM 0 HA THR A 104 -15.874 15.424 -20.180 1.00 0.00 H new ATOM 0 HB THR A 104 -16.659 17.642 -19.538 1.00 0.00 H new ATOM 0 HG1 THR A 104 -14.611 18.713 -19.967 1.00 0.00 H new ATOM 0 HG21 THR A 104 -15.489 18.915 -17.777 1.00 0.00 H new ATOM 0 HG22 THR A 104 -16.367 17.515 -17.115 1.00 0.00 H new ATOM 0 HG23 THR A 104 -14.600 17.443 -17.316 1.00 0.00 H new ATOM 1622 N ILE A 105 -13.594 14.750 -19.427 1.00 0.00 N ATOM 1623 CA ILE A 105 -12.416 14.046 -19.002 1.00 0.00 C ATOM 1624 C ILE A 105 -11.159 14.677 -19.592 1.00 0.00 C ATOM 1625 O ILE A 105 -11.131 15.056 -20.766 1.00 0.00 O ATOM 1626 CB ILE A 105 -12.476 12.566 -19.444 1.00 0.00 C ATOM 1627 CG1 ILE A 105 -13.874 11.976 -19.199 1.00 0.00 C ATOM 1628 CG2 ILE A 105 -11.444 11.768 -18.693 1.00 0.00 C ATOM 1629 CD1 ILE A 105 -14.063 10.593 -19.785 1.00 0.00 C ATOM 0 H ILE A 105 -13.647 14.922 -20.431 1.00 0.00 H new ATOM 0 HA ILE A 105 -12.377 14.106 -17.914 1.00 0.00 H new ATOM 0 HB ILE A 105 -12.267 12.517 -20.513 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -14.058 11.934 -18.125 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -14.621 12.646 -19.624 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -11.490 10.726 -19.008 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -10.452 12.167 -18.903 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -11.642 11.833 -17.623 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -15.073 10.242 -19.572 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -13.912 10.631 -20.864 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -13.340 9.908 -19.342 1.00 0.00 H new ATOM 1641 N SER A 106 -10.139 14.779 -18.770 1.00 0.00 N ATOM 1642 CA SER A 106 -8.875 15.343 -19.194 1.00 0.00 C ATOM 1643 C SER A 106 -7.730 14.412 -18.804 1.00 0.00 C ATOM 1644 O SER A 106 -7.637 13.986 -17.650 1.00 0.00 O ATOM 1645 CB SER A 106 -8.678 16.730 -18.570 1.00 0.00 C ATOM 1646 OG SER A 106 -7.564 17.400 -19.138 1.00 0.00 O ATOM 0 H SER A 106 -10.160 14.476 -17.796 1.00 0.00 H new ATOM 0 HA SER A 106 -8.881 15.451 -20.279 1.00 0.00 H new ATOM 0 HB2 SER A 106 -9.578 17.328 -18.717 1.00 0.00 H new ATOM 0 HB3 SER A 106 -8.534 16.629 -17.494 1.00 0.00 H new ATOM 0 HG SER A 106 -7.465 18.282 -18.721 1.00 0.00 H new ATOM 1652 N LYS A 107 -6.875 14.090 -19.764 1.00 0.00 N ATOM 1653 CA LYS A 107 -5.746 13.208 -19.525 1.00 0.00 C ATOM 1654 C LYS A 107 -4.470 13.747 -20.181 1.00 0.00 C ATOM 1655 O LYS A 107 -4.471 14.089 -21.359 1.00 0.00 O ATOM 1656 CB LYS A 107 -6.045 11.800 -20.057 1.00 0.00 C ATOM 1657 CG LYS A 107 -4.907 10.813 -19.847 1.00 0.00 C ATOM 1658 CD LYS A 107 -5.164 9.498 -20.560 1.00 0.00 C ATOM 1659 CE LYS A 107 -4.007 8.532 -20.361 1.00 0.00 C ATOM 1660 NZ LYS A 107 -4.194 7.276 -21.127 1.00 0.00 N ATOM 0 H LYS A 107 -6.945 14.431 -20.723 1.00 0.00 H new ATOM 0 HA LYS A 107 -5.586 13.161 -18.448 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -6.940 11.418 -19.566 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -6.268 11.863 -21.122 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -3.976 11.248 -20.211 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -4.777 10.629 -18.780 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.084 9.051 -20.184 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -5.310 9.681 -21.625 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.078 9.011 -20.671 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -3.908 8.299 -19.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.383 6.646 -20.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -5.067 6.805 -20.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -4.263 7.495 -22.141 1.00 0.00 H new ATOM 1674 N PRO A 108 -3.378 13.833 -19.421 1.00 0.00 N ATOM 1675 CA PRO A 108 -2.094 14.242 -19.988 1.00 0.00 C ATOM 1676 C PRO A 108 -1.563 13.170 -20.955 1.00 0.00 C ATOM 1677 O PRO A 108 -1.240 12.049 -20.542 1.00 0.00 O ATOM 1678 CB PRO A 108 -1.185 14.386 -18.763 1.00 0.00 C ATOM 1679 CG PRO A 108 -1.816 13.534 -17.710 1.00 0.00 C ATOM 1680 CD PRO A 108 -3.298 13.556 -17.976 1.00 0.00 C ATOM 0 HA PRO A 108 -2.157 15.161 -20.570 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -0.170 14.054 -18.983 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -1.118 15.425 -18.442 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -1.429 12.516 -17.751 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -1.594 13.919 -16.715 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -3.767 12.605 -17.722 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -3.801 14.326 -17.390 1.00 0.00 H new ATOM 1688 N CYS A 109 -1.490 13.508 -22.242 1.00 0.00 N ATOM 1689 CA CYS A 109 -1.084 12.543 -23.269 1.00 0.00 C ATOM 1690 C CYS A 109 0.433 12.391 -23.346 1.00 0.00 C ATOM 1691 O CYS A 109 1.062 12.792 -24.339 1.00 0.00 O ATOM 1692 CB CYS A 109 -1.659 12.917 -24.647 1.00 0.00 C ATOM 1693 SG CYS A 109 -1.246 11.729 -25.985 1.00 0.00 S ATOM 0 H CYS A 109 -1.705 14.439 -22.600 1.00 0.00 H new ATOM 0 HA CYS A 109 -1.497 11.579 -22.974 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -2.743 12.993 -24.567 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -1.290 13.904 -24.926 1.00 0.00 H new ATOM 1698 N GLY A 110 1.008 11.827 -22.287 1.00 0.00 N ATOM 1699 CA GLY A 110 2.436 11.572 -22.236 1.00 0.00 C ATOM 1700 C GLY A 110 3.259 12.813 -22.486 1.00 0.00 C ATOM 1701 O GLY A 110 3.032 13.854 -21.854 1.00 0.00 O ATOM 0 H GLY A 110 0.500 11.538 -21.451 1.00 0.00 H new ATOM 0 HA2 GLY A 110 2.693 11.161 -21.260 1.00 0.00 H new ATOM 0 HA3 GLY A 110 2.693 10.815 -22.978 1.00 0.00 H new