USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 453 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 37 GLN : amide:sc= 0.1 K(o=0.12,f=-5.7!) USER MOD Set 1.2: A 51 TYR OH : rot -29:sc= 0.734 USER MOD Set 1.3: A 58 SER OG : rot -105:sc= -0.71 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.546 USER MOD Single : A 25 ASN :FLIP amide:sc=-0.00224 F(o=-1,f=-0.0022) USER MOD Single : A 28 HIS : no HD1:sc= -0.0443 X(o=-0.044,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0105) USER MOD Single : A 38 GLN : amide:sc= -1.75 X(o=-1.7,f=-1.3) USER MOD Single : A 39 LYS NZ :NH3+ -128:sc= -0.0867 (180deg=-1.03) USER MOD Single : A 41 HIS : no HE2:sc= -0.511 X(o=-0.51,f=-0.19) USER MOD Single : A 47 SER OG : rot 56:sc= 1.22 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN :FLIP amide:sc= -1.25 F(o=-2.2,f=-1.2) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.277 K(o=-0.28,f=-4.8!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 152:sc= -0.176 (180deg=-0.717) USER MOD ----------------------------------------------------------------- ATOM 238 N LEU A 16 -20.092 -11.939 -11.052 1.00 42.14 N ATOM 239 CA LEU A 16 -21.288 -12.119 -11.869 1.00 25.35 C ATOM 240 C LEU A 16 -22.487 -11.416 -11.241 1.00 24.24 C ATOM 241 O LEU A 16 -23.225 -10.700 -11.917 1.00 70.34 O ATOM 242 CB LEU A 16 -21.589 -13.609 -12.044 1.00 14.34 C ATOM 243 CG LEU A 16 -21.475 -14.154 -13.468 1.00 11.23 C ATOM 244 CD1 LEU A 16 -20.053 -14.003 -13.985 1.00 1.44 C ATOM 245 CD2 LEU A 16 -21.911 -15.611 -13.518 1.00 25.05 C ATOM 0 HA LEU A 16 -21.102 -11.675 -12.847 1.00 25.35 H new ATOM 0 HB2 LEU A 16 -20.910 -14.174 -11.405 1.00 14.34 H new ATOM 0 HB3 LEU A 16 -22.600 -13.800 -11.683 1.00 14.34 H new ATOM 0 HG LEU A 16 -22.137 -13.575 -14.112 1.00 11.23 H new ATOM 0 HD11 LEU A 16 -19.991 -14.396 -15.000 1.00 1.44 H new ATOM 0 HD12 LEU A 16 -19.777 -12.949 -13.987 1.00 1.44 H new ATOM 0 HD13 LEU A 16 -19.371 -14.556 -13.339 1.00 1.44 H new ATOM 0 HD21 LEU A 16 -21.823 -15.982 -14.539 1.00 25.05 H new ATOM 0 HD22 LEU A 16 -21.275 -16.204 -12.860 1.00 25.05 H new ATOM 0 HD23 LEU A 16 -22.947 -15.692 -13.190 1.00 25.05 H new ATOM 257 N LYS A 17 -22.674 -11.623 -9.941 1.00 63.25 N ATOM 258 CA LYS A 17 -23.781 -11.007 -9.220 1.00 24.04 C ATOM 259 C LYS A 17 -23.769 -9.492 -9.396 1.00 52.04 C ATOM 260 O LYS A 17 -24.820 -8.864 -9.528 1.00 41.23 O ATOM 261 CB LYS A 17 -23.705 -11.358 -7.732 1.00 62.20 C ATOM 262 CG LYS A 17 -24.343 -12.693 -7.389 1.00 14.12 C ATOM 263 CD LYS A 17 -25.853 -12.647 -7.551 1.00 55.32 C ATOM 264 CE LYS A 17 -26.564 -13.124 -6.294 1.00 71.10 C ATOM 265 NZ LYS A 17 -27.069 -11.986 -5.476 1.00 61.54 N ATOM 0 H LYS A 17 -22.073 -12.213 -9.366 1.00 63.25 H new ATOM 0 HA LYS A 17 -24.712 -11.396 -9.633 1.00 24.04 H new ATOM 0 HB2 LYS A 17 -22.660 -11.375 -7.424 1.00 62.20 H new ATOM 0 HB3 LYS A 17 -24.194 -10.572 -7.156 1.00 62.20 H new ATOM 0 HG2 LYS A 17 -23.931 -13.470 -8.032 1.00 14.12 H new ATOM 0 HG3 LYS A 17 -24.094 -12.963 -6.363 1.00 14.12 H new ATOM 0 HD2 LYS A 17 -26.164 -11.628 -7.782 1.00 55.32 H new ATOM 0 HD3 LYS A 17 -26.148 -13.269 -8.396 1.00 55.32 H new ATOM 0 HE2 LYS A 17 -27.397 -13.770 -6.571 1.00 71.10 H new ATOM 0 HE3 LYS A 17 -25.880 -13.726 -5.696 1.00 71.10 H new ATOM 0 HZ1 LYS A 17 -27.547 -12.353 -4.628 1.00 61.54 H new ATOM 0 HZ2 LYS A 17 -26.271 -11.383 -5.190 1.00 61.54 H new ATOM 0 HZ3 LYS A 17 -27.742 -11.426 -6.038 1.00 61.54 H new ATOM 279 N LYS A 18 -22.575 -8.910 -9.399 1.00 64.35 N ATOM 280 CA LYS A 18 -22.425 -7.469 -9.563 1.00 33.10 C ATOM 281 C LYS A 18 -22.583 -7.068 -11.026 1.00 63.33 C ATOM 282 O LYS A 18 -23.115 -6.001 -11.334 1.00 42.04 O ATOM 283 CB LYS A 18 -21.060 -7.015 -9.043 1.00 4.12 C ATOM 284 CG LYS A 18 -20.945 -7.044 -7.529 1.00 21.44 C ATOM 285 CD LYS A 18 -19.581 -6.563 -7.063 1.00 51.41 C ATOM 286 CE LYS A 18 -19.491 -6.525 -5.545 1.00 74.02 C ATOM 287 NZ LYS A 18 -18.448 -5.572 -5.075 1.00 32.24 N ATOM 0 H LYS A 18 -21.696 -9.415 -9.290 1.00 64.35 H new ATOM 0 HA LYS A 18 -23.208 -6.980 -8.984 1.00 33.10 H new ATOM 0 HB2 LYS A 18 -20.287 -7.654 -9.470 1.00 4.12 H new ATOM 0 HB3 LYS A 18 -20.866 -6.002 -9.394 1.00 4.12 H new ATOM 0 HG2 LYS A 18 -21.722 -6.416 -7.092 1.00 21.44 H new ATOM 0 HG3 LYS A 18 -21.116 -8.059 -7.170 1.00 21.44 H new ATOM 0 HD2 LYS A 18 -18.808 -7.222 -7.458 1.00 51.41 H new ATOM 0 HD3 LYS A 18 -19.388 -5.568 -7.465 1.00 51.41 H new ATOM 0 HE2 LYS A 18 -20.458 -6.239 -5.131 1.00 74.02 H new ATOM 0 HE3 LYS A 18 -19.267 -7.523 -5.169 1.00 74.02 H new ATOM 0 HZ1 LYS A 18 -18.418 -5.575 -4.035 1.00 32.24 H new ATOM 0 HZ2 LYS A 18 -17.521 -5.859 -5.449 1.00 32.24 H new ATOM 0 HZ3 LYS A 18 -18.675 -4.615 -5.412 1.00 32.24 H new ATOM 301 N LEU A 19 -22.118 -7.930 -11.924 1.00 75.31 N ATOM 302 CA LEU A 19 -22.209 -7.667 -13.356 1.00 53.31 C ATOM 303 C LEU A 19 -23.658 -7.444 -13.778 1.00 71.41 C ATOM 304 O LEU A 19 -23.986 -6.436 -14.403 1.00 40.31 O ATOM 305 CB LEU A 19 -21.608 -8.829 -14.148 1.00 32.42 C ATOM 306 CG LEU A 19 -20.151 -8.665 -14.580 1.00 4.15 C ATOM 307 CD1 LEU A 19 -19.530 -10.018 -14.891 1.00 53.02 C ATOM 308 CD2 LEU A 19 -20.052 -7.741 -15.785 1.00 13.35 C ATOM 0 H LEU A 19 -21.674 -8.817 -11.686 1.00 75.31 H new ATOM 0 HA LEU A 19 -21.644 -6.760 -13.570 1.00 53.31 H new ATOM 0 HB2 LEU A 19 -21.687 -9.733 -13.544 1.00 32.42 H new ATOM 0 HB3 LEU A 19 -22.215 -8.987 -15.040 1.00 32.42 H new ATOM 0 HG LEU A 19 -19.597 -8.215 -13.756 1.00 4.15 H new ATOM 0 HD11 LEU A 19 -18.493 -9.881 -15.197 1.00 53.02 H new ATOM 0 HD12 LEU A 19 -19.566 -10.648 -14.002 1.00 53.02 H new ATOM 0 HD13 LEU A 19 -20.086 -10.497 -15.697 1.00 53.02 H new ATOM 0 HD21 LEU A 19 -19.007 -7.636 -16.078 1.00 13.35 H new ATOM 0 HD22 LEU A 19 -20.621 -8.162 -16.614 1.00 13.35 H new ATOM 0 HD23 LEU A 19 -20.456 -6.762 -15.527 1.00 13.35 H new ATOM 320 N VAL A 20 -24.523 -8.392 -13.430 1.00 64.42 N ATOM 321 CA VAL A 20 -25.937 -8.299 -13.770 1.00 14.12 C ATOM 322 C VAL A 20 -26.570 -7.057 -13.151 1.00 70.34 C ATOM 323 O VAL A 20 -27.539 -6.513 -13.681 1.00 11.35 O ATOM 324 CB VAL A 20 -26.711 -9.545 -13.299 1.00 11.41 C ATOM 325 CG1 VAL A 20 -26.702 -9.637 -11.781 1.00 12.34 C ATOM 326 CG2 VAL A 20 -28.136 -9.519 -13.831 1.00 61.13 C ATOM 0 H VAL A 20 -24.268 -9.233 -12.913 1.00 64.42 H new ATOM 0 HA VAL A 20 -25.998 -8.232 -14.856 1.00 14.12 H new ATOM 0 HB VAL A 20 -26.215 -10.431 -13.696 1.00 11.41 H new ATOM 0 HG11 VAL A 20 -27.253 -10.523 -11.467 1.00 12.34 H new ATOM 0 HG12 VAL A 20 -25.673 -9.705 -11.427 1.00 12.34 H new ATOM 0 HG13 VAL A 20 -27.173 -8.749 -11.360 1.00 12.34 H new ATOM 0 HG21 VAL A 20 -28.668 -10.406 -13.489 1.00 61.13 H new ATOM 0 HG22 VAL A 20 -28.645 -8.627 -13.465 1.00 61.13 H new ATOM 0 HG23 VAL A 20 -28.117 -9.505 -14.921 1.00 61.13 H new ATOM 336 N ASP A 21 -26.015 -6.614 -12.029 1.00 33.45 N ATOM 337 CA ASP A 21 -26.524 -5.435 -11.338 1.00 31.12 C ATOM 338 C ASP A 21 -26.041 -4.157 -12.017 1.00 35.22 C ATOM 339 O ASP A 21 -26.766 -3.164 -12.081 1.00 42.33 O ATOM 340 CB ASP A 21 -26.084 -5.446 -9.873 1.00 32.41 C ATOM 341 CG ASP A 21 -26.801 -4.398 -9.045 1.00 43.32 C ATOM 342 OD1 ASP A 21 -26.584 -3.194 -9.296 1.00 63.15 O ATOM 343 OD2 ASP A 21 -27.578 -4.781 -8.145 1.00 41.45 O ATOM 0 H ASP A 21 -25.212 -7.053 -11.578 1.00 33.45 H new ATOM 0 HA ASP A 21 -27.613 -5.460 -11.382 1.00 31.12 H new ATOM 0 HB2 ASP A 21 -26.272 -6.432 -9.448 1.00 32.41 H new ATOM 0 HB3 ASP A 21 -25.009 -5.275 -9.818 1.00 32.41 H new ATOM 348 N LYS A 22 -24.813 -4.189 -12.522 1.00 22.24 N ATOM 349 CA LYS A 22 -24.232 -3.035 -13.196 1.00 41.53 C ATOM 350 C LYS A 22 -24.426 -3.132 -14.706 1.00 60.01 C ATOM 351 O LYS A 22 -23.699 -2.504 -15.477 1.00 35.22 O ATOM 352 CB LYS A 22 -22.741 -2.923 -12.869 1.00 71.51 C ATOM 353 CG LYS A 22 -22.447 -2.880 -11.380 1.00 22.44 C ATOM 354 CD LYS A 22 -21.023 -3.317 -11.080 1.00 5.33 C ATOM 355 CE LYS A 22 -20.008 -2.330 -11.638 1.00 72.42 C ATOM 356 NZ LYS A 22 -18.613 -2.705 -11.276 1.00 51.13 N ATOM 0 H LYS A 22 -24.200 -5.003 -12.477 1.00 22.24 H new ATOM 0 HA LYS A 22 -24.744 -2.142 -12.838 1.00 41.53 H new ATOM 0 HB2 LYS A 22 -22.216 -3.770 -13.310 1.00 71.51 H new ATOM 0 HB3 LYS A 22 -22.342 -2.023 -13.336 1.00 71.51 H new ATOM 0 HG2 LYS A 22 -22.604 -1.868 -11.006 1.00 22.44 H new ATOM 0 HG3 LYS A 22 -23.146 -3.528 -10.851 1.00 22.44 H new ATOM 0 HD2 LYS A 22 -20.889 -3.408 -10.002 1.00 5.33 H new ATOM 0 HD3 LYS A 22 -20.846 -4.304 -11.508 1.00 5.33 H new ATOM 0 HE2 LYS A 22 -20.102 -2.286 -12.723 1.00 72.42 H new ATOM 0 HE3 LYS A 22 -20.226 -1.332 -11.259 1.00 72.42 H new ATOM 0 HZ1 LYS A 22 -17.952 -2.008 -11.675 1.00 51.13 H new ATOM 0 HZ2 LYS A 22 -18.516 -2.722 -10.241 1.00 51.13 H new ATOM 0 HZ3 LYS A 22 -18.396 -3.647 -11.660 1.00 51.13 H new ATOM 370 N TYR A 23 -25.410 -3.921 -15.122 1.00 33.25 N ATOM 371 CA TYR A 23 -25.699 -4.101 -16.539 1.00 60.24 C ATOM 372 C TYR A 23 -26.115 -2.782 -17.182 1.00 53.23 C ATOM 373 O TYR A 23 -25.669 -2.445 -18.279 1.00 3.41 O ATOM 374 CB TYR A 23 -26.802 -5.144 -16.728 1.00 40.14 C ATOM 375 CG TYR A 23 -27.096 -5.458 -18.178 1.00 32.12 C ATOM 376 CD1 TYR A 23 -27.909 -4.627 -18.938 1.00 52.14 C ATOM 377 CD2 TYR A 23 -26.560 -6.586 -18.787 1.00 72.10 C ATOM 378 CE1 TYR A 23 -28.181 -4.911 -20.263 1.00 12.33 C ATOM 379 CE2 TYR A 23 -26.826 -6.877 -20.111 1.00 64.02 C ATOM 380 CZ TYR A 23 -27.637 -6.037 -20.845 1.00 1.44 C ATOM 381 OH TYR A 23 -27.904 -6.322 -22.164 1.00 33.11 O ATOM 0 H TYR A 23 -26.021 -4.447 -14.497 1.00 33.25 H new ATOM 0 HA TYR A 23 -24.790 -4.451 -17.027 1.00 60.24 H new ATOM 0 HB2 TYR A 23 -26.513 -6.063 -16.217 1.00 40.14 H new ATOM 0 HB3 TYR A 23 -27.714 -4.787 -16.250 1.00 40.14 H new ATOM 0 HD1 TYR A 23 -28.336 -3.744 -18.486 1.00 52.14 H new ATOM 0 HD2 TYR A 23 -25.925 -7.246 -18.216 1.00 72.10 H new ATOM 0 HE1 TYR A 23 -28.816 -4.255 -20.840 1.00 12.33 H new ATOM 0 HE2 TYR A 23 -26.401 -7.758 -20.569 1.00 64.02 H new ATOM 0 HH TYR A 23 -27.444 -7.149 -22.420 1.00 33.11 H new ATOM 391 N ARG A 24 -26.974 -2.039 -16.491 1.00 24.11 N ATOM 392 CA ARG A 24 -27.452 -0.757 -16.993 1.00 44.33 C ATOM 393 C ARG A 24 -26.559 0.383 -16.511 1.00 63.04 C ATOM 394 O ARG A 24 -26.915 1.555 -16.627 1.00 21.24 O ATOM 395 CB ARG A 24 -28.894 -0.514 -16.544 1.00 24.13 C ATOM 396 CG ARG A 24 -29.830 -1.672 -16.850 1.00 40.51 C ATOM 397 CD ARG A 24 -30.054 -2.546 -15.626 1.00 55.51 C ATOM 398 NE ARG A 24 -31.320 -2.244 -14.963 1.00 73.10 N ATOM 399 CZ ARG A 24 -32.503 -2.631 -15.427 1.00 54.43 C ATOM 400 NH1 ARG A 24 -32.582 -3.330 -16.551 1.00 30.22 N ATOM 401 NH2 ARG A 24 -33.611 -2.318 -14.767 1.00 50.41 N ATOM 0 H ARG A 24 -27.353 -2.303 -15.582 1.00 24.11 H new ATOM 0 HA ARG A 24 -27.418 -0.787 -18.082 1.00 44.33 H new ATOM 0 HB2 ARG A 24 -28.904 -0.323 -15.471 1.00 24.13 H new ATOM 0 HB3 ARG A 24 -29.271 0.385 -17.031 1.00 24.13 H new ATOM 0 HG2 ARG A 24 -30.786 -1.285 -17.202 1.00 40.51 H new ATOM 0 HG3 ARG A 24 -29.413 -2.274 -17.657 1.00 40.51 H new ATOM 0 HD2 ARG A 24 -30.041 -3.595 -15.922 1.00 55.51 H new ATOM 0 HD3 ARG A 24 -29.233 -2.403 -14.923 1.00 55.51 H new ATOM 0 HE ARG A 24 -31.294 -1.707 -14.096 1.00 73.10 H new ATOM 0 HH11 ARG A 24 -31.733 -3.572 -17.062 1.00 30.22 H new ATOM 0 HH12 ARG A 24 -33.492 -3.626 -16.905 1.00 30.22 H new ATOM 0 HH21 ARG A 24 -33.555 -1.780 -13.902 1.00 50.41 H new ATOM 0 HH22 ARG A 24 -34.519 -2.616 -15.124 1.00 50.41 H new ATOM 415 N ASN A 25 -25.397 0.030 -15.971 1.00 31.42 N ATOM 416 CA ASN A 25 -24.454 1.023 -15.470 1.00 65.32 C ATOM 417 C ASN A 25 -23.311 1.235 -16.459 1.00 74.03 C ATOM 418 O ASN A 25 -22.852 2.359 -16.660 1.00 44.23 O ATOM 419 CB ASN A 25 -23.894 0.587 -14.114 1.00 54.32 C ATOM 420 CG ASN A 25 -24.880 0.810 -12.984 1.00 14.42 C ATOM 421 OD1 ASN A 25 -26.085 0.271 -13.134 1.00 64.52 O flip ATOM 422 ND2 ASN A 25 -24.563 1.460 -11.987 1.00 44.22 N flip ATOM 0 H ASN A 25 -25.086 -0.936 -15.869 1.00 31.42 H new ATOM 0 HA ASN A 25 -24.988 1.966 -15.350 1.00 65.32 H new ATOM 0 HB2 ASN A 25 -23.627 -0.469 -14.157 1.00 54.32 H new ATOM 0 HB3 ASN A 25 -22.977 1.140 -13.908 1.00 54.32 H new ATOM 0 HD21 ASN A 25 -23.626 1.856 -11.913 1.00 44.22 H new ATOM 0 HD22 ASN A 25 -25.237 1.602 -11.235 1.00 44.22 H new ATOM 429 N ASP A 26 -22.859 0.148 -17.074 1.00 71.22 N ATOM 430 CA ASP A 26 -21.772 0.214 -18.044 1.00 1.40 C ATOM 431 C ASP A 26 -22.158 -0.487 -19.342 1.00 72.13 C ATOM 432 O ASP A 26 -22.619 -1.628 -19.329 1.00 22.14 O ATOM 433 CB ASP A 26 -20.505 -0.417 -17.466 1.00 22.53 C ATOM 434 CG ASP A 26 -19.326 0.536 -17.475 1.00 71.14 C ATOM 435 OD1 ASP A 26 -19.288 1.424 -18.353 1.00 12.23 O ATOM 436 OD2 ASP A 26 -18.442 0.394 -16.605 1.00 41.42 O ATOM 0 H ASP A 26 -23.229 -0.790 -16.918 1.00 71.22 H new ATOM 0 HA ASP A 26 -21.578 1.264 -18.264 1.00 1.40 H new ATOM 0 HB2 ASP A 26 -20.698 -0.741 -16.443 1.00 22.53 H new ATOM 0 HB3 ASP A 26 -20.252 -1.308 -18.040 1.00 22.53 H new ATOM 441 N GLU A 27 -21.968 0.204 -20.462 1.00 1.01 N ATOM 442 CA GLU A 27 -22.299 -0.353 -21.768 1.00 64.03 C ATOM 443 C GLU A 27 -21.433 -1.572 -22.075 1.00 33.02 C ATOM 444 O GLU A 27 -21.923 -2.585 -22.574 1.00 73.35 O ATOM 445 CB GLU A 27 -22.115 0.704 -22.859 1.00 61.14 C ATOM 446 CG GLU A 27 -20.722 1.310 -22.891 1.00 51.30 C ATOM 447 CD GLU A 27 -20.611 2.466 -23.867 1.00 22.50 C ATOM 448 OE1 GLU A 27 -21.188 3.537 -23.586 1.00 33.43 O ATOM 449 OE2 GLU A 27 -19.947 2.299 -24.911 1.00 71.24 O ATOM 0 H GLU A 27 -21.587 1.150 -20.491 1.00 1.01 H new ATOM 0 HA GLU A 27 -23.343 -0.666 -21.747 1.00 64.03 H new ATOM 0 HB2 GLU A 27 -22.329 0.254 -23.829 1.00 61.14 H new ATOM 0 HB3 GLU A 27 -22.845 1.500 -22.709 1.00 61.14 H new ATOM 0 HG2 GLU A 27 -20.457 1.656 -21.892 1.00 51.30 H new ATOM 0 HG3 GLU A 27 -20.001 0.539 -23.163 1.00 51.30 H new ATOM 456 N HIS A 28 -20.143 -1.466 -21.772 1.00 53.13 N ATOM 457 CA HIS A 28 -19.209 -2.559 -22.015 1.00 64.11 C ATOM 458 C HIS A 28 -19.667 -3.833 -21.311 1.00 54.41 C ATOM 459 O HIS A 28 -19.410 -4.941 -21.781 1.00 30.01 O ATOM 460 CB HIS A 28 -17.807 -2.175 -21.538 1.00 74.54 C ATOM 461 CG HIS A 28 -16.996 -1.463 -22.576 1.00 62.33 C ATOM 462 ND1 HIS A 28 -15.624 -1.344 -22.507 1.00 42.24 N ATOM 463 CD2 HIS A 28 -17.370 -0.833 -23.714 1.00 12.30 C ATOM 464 CE1 HIS A 28 -15.190 -0.669 -23.557 1.00 4.12 C ATOM 465 NE2 HIS A 28 -16.230 -0.348 -24.305 1.00 5.40 N ATOM 0 H HIS A 28 -19.721 -0.635 -21.358 1.00 53.13 H new ATOM 0 HA HIS A 28 -19.181 -2.748 -23.088 1.00 64.11 H new ATOM 0 HB2 HIS A 28 -17.893 -1.539 -20.657 1.00 74.54 H new ATOM 0 HB3 HIS A 28 -17.277 -3.076 -21.230 1.00 74.54 H new ATOM 0 HD2 HIS A 28 -18.378 -0.731 -24.088 1.00 12.30 H new ATOM 0 HE1 HIS A 28 -14.160 -0.422 -23.768 1.00 4.12 H new ATOM 0 HE2 HIS A 28 -16.192 0.175 -25.180 1.00 5.40 H new ATOM 474 N VAL A 29 -20.348 -3.666 -20.181 1.00 62.33 N ATOM 475 CA VAL A 29 -20.843 -4.802 -19.413 1.00 23.13 C ATOM 476 C VAL A 29 -22.009 -5.480 -20.123 1.00 12.33 C ATOM 477 O VAL A 29 -22.175 -6.697 -20.043 1.00 13.03 O ATOM 478 CB VAL A 29 -21.293 -4.373 -18.004 1.00 0.23 C ATOM 479 CG1 VAL A 29 -21.870 -5.557 -17.243 1.00 71.14 C ATOM 480 CG2 VAL A 29 -20.133 -3.753 -17.240 1.00 2.41 C ATOM 0 H VAL A 29 -20.569 -2.756 -19.778 1.00 62.33 H new ATOM 0 HA VAL A 29 -20.017 -5.508 -19.324 1.00 23.13 H new ATOM 0 HB VAL A 29 -22.075 -3.621 -18.106 1.00 0.23 H new ATOM 0 HG11 VAL A 29 -22.182 -5.234 -16.250 1.00 71.14 H new ATOM 0 HG12 VAL A 29 -22.730 -5.952 -17.783 1.00 71.14 H new ATOM 0 HG13 VAL A 29 -21.111 -6.334 -17.150 1.00 71.14 H new ATOM 0 HG21 VAL A 29 -20.469 -3.456 -16.247 1.00 2.41 H new ATOM 0 HG22 VAL A 29 -19.327 -4.481 -17.148 1.00 2.41 H new ATOM 0 HG23 VAL A 29 -19.770 -2.877 -17.778 1.00 2.41 H new ATOM 490 N ARG A 30 -22.815 -4.683 -20.818 1.00 22.51 N ATOM 491 CA ARG A 30 -23.967 -5.206 -21.542 1.00 71.31 C ATOM 492 C ARG A 30 -23.525 -6.135 -22.669 1.00 51.24 C ATOM 493 O ARG A 30 -23.964 -7.282 -22.752 1.00 21.23 O ATOM 494 CB ARG A 30 -24.803 -4.058 -22.111 1.00 22.03 C ATOM 495 CG ARG A 30 -25.168 -3.002 -21.080 1.00 42.03 C ATOM 496 CD ARG A 30 -25.830 -1.797 -21.729 1.00 14.43 C ATOM 497 NE ARG A 30 -27.086 -2.150 -22.386 1.00 1.32 N ATOM 498 CZ ARG A 30 -27.951 -1.254 -22.847 1.00 52.32 C ATOM 499 NH1 ARG A 30 -27.698 0.042 -22.724 1.00 70.13 N ATOM 500 NH2 ARG A 30 -29.073 -1.653 -23.434 1.00 25.24 N ATOM 0 H ARG A 30 -22.691 -3.673 -20.895 1.00 22.51 H new ATOM 0 HA ARG A 30 -24.576 -5.777 -20.841 1.00 71.31 H new ATOM 0 HB2 ARG A 30 -24.251 -3.585 -22.923 1.00 22.03 H new ATOM 0 HB3 ARG A 30 -25.718 -4.465 -22.542 1.00 22.03 H new ATOM 0 HG2 ARG A 30 -25.841 -3.433 -20.338 1.00 42.03 H new ATOM 0 HG3 ARG A 30 -24.270 -2.684 -20.550 1.00 42.03 H new ATOM 0 HD2 ARG A 30 -26.018 -1.036 -20.972 1.00 14.43 H new ATOM 0 HD3 ARG A 30 -25.150 -1.359 -22.459 1.00 14.43 H new ATOM 0 HE ARG A 30 -27.311 -3.139 -22.497 1.00 1.32 H new ATOM 0 HH11 ARG A 30 -26.837 0.353 -22.274 1.00 70.13 H new ATOM 0 HH12 ARG A 30 -28.364 0.728 -23.079 1.00 70.13 H new ATOM 0 HH21 ARG A 30 -29.271 -2.649 -23.531 1.00 25.24 H new ATOM 0 HH22 ARG A 30 -29.737 -0.964 -23.788 1.00 25.24 H new ATOM 514 N LYS A 31 -22.654 -5.631 -23.537 1.00 11.41 N ATOM 515 CA LYS A 31 -22.151 -6.413 -24.660 1.00 32.44 C ATOM 516 C LYS A 31 -21.424 -7.662 -24.170 1.00 54.11 C ATOM 517 O LYS A 31 -21.493 -8.719 -24.798 1.00 10.31 O ATOM 518 CB LYS A 31 -21.210 -5.566 -25.518 1.00 5.31 C ATOM 519 CG LYS A 31 -19.846 -5.344 -24.887 1.00 63.01 C ATOM 520 CD LYS A 31 -18.931 -4.548 -25.803 1.00 23.24 C ATOM 521 CE LYS A 31 -17.535 -4.413 -25.214 1.00 45.35 C ATOM 522 NZ LYS A 31 -16.765 -5.684 -25.314 1.00 11.22 N ATOM 0 H LYS A 31 -22.281 -4.683 -23.484 1.00 11.41 H new ATOM 0 HA LYS A 31 -23.003 -6.723 -25.265 1.00 32.44 H new ATOM 0 HB2 LYS A 31 -21.079 -6.051 -26.485 1.00 5.31 H new ATOM 0 HB3 LYS A 31 -21.676 -4.599 -25.707 1.00 5.31 H new ATOM 0 HG2 LYS A 31 -19.963 -4.816 -23.940 1.00 63.01 H new ATOM 0 HG3 LYS A 31 -19.388 -6.307 -24.661 1.00 63.01 H new ATOM 0 HD2 LYS A 31 -18.871 -5.038 -26.775 1.00 23.24 H new ATOM 0 HD3 LYS A 31 -19.354 -3.557 -25.971 1.00 23.24 H new ATOM 0 HE2 LYS A 31 -16.997 -3.621 -25.734 1.00 45.35 H new ATOM 0 HE3 LYS A 31 -17.609 -4.115 -24.168 1.00 45.35 H new ATOM 0 HZ1 LYS A 31 -15.793 -5.528 -24.980 1.00 11.22 H new ATOM 0 HZ2 LYS A 31 -17.220 -6.413 -24.728 1.00 11.22 H new ATOM 0 HZ3 LYS A 31 -16.744 -6.000 -26.305 1.00 11.22 H new ATOM 536 N VAL A 32 -20.729 -7.533 -23.044 1.00 72.43 N ATOM 537 CA VAL A 32 -19.992 -8.652 -22.469 1.00 61.12 C ATOM 538 C VAL A 32 -20.940 -9.693 -21.886 1.00 32.44 C ATOM 539 O VAL A 32 -20.894 -10.867 -22.255 1.00 12.00 O ATOM 540 CB VAL A 32 -19.025 -8.180 -21.367 1.00 42.24 C ATOM 541 CG1 VAL A 32 -18.478 -9.368 -20.591 1.00 63.25 C ATOM 542 CG2 VAL A 32 -17.894 -7.358 -21.968 1.00 21.40 C ATOM 0 H VAL A 32 -20.661 -6.665 -22.512 1.00 72.43 H new ATOM 0 HA VAL A 32 -19.417 -9.102 -23.279 1.00 61.12 H new ATOM 0 HB VAL A 32 -19.575 -7.546 -20.672 1.00 42.24 H new ATOM 0 HG11 VAL A 32 -17.797 -9.015 -19.817 1.00 63.25 H new ATOM 0 HG12 VAL A 32 -19.302 -9.911 -20.129 1.00 63.25 H new ATOM 0 HG13 VAL A 32 -17.942 -10.031 -21.270 1.00 63.25 H new ATOM 0 HG21 VAL A 32 -17.220 -7.032 -21.176 1.00 21.40 H new ATOM 0 HG22 VAL A 32 -17.343 -7.966 -22.686 1.00 21.40 H new ATOM 0 HG23 VAL A 32 -18.307 -6.486 -22.474 1.00 21.40 H new ATOM 552 N PHE A 33 -21.800 -9.256 -20.972 1.00 35.10 N ATOM 553 CA PHE A 33 -22.761 -10.151 -20.336 1.00 43.50 C ATOM 554 C PHE A 33 -23.725 -10.733 -21.365 1.00 31.42 C ATOM 555 O PHE A 33 -24.273 -11.819 -21.173 1.00 13.25 O ATOM 556 CB PHE A 33 -23.543 -9.406 -19.252 1.00 24.13 C ATOM 557 CG PHE A 33 -23.828 -10.243 -18.037 1.00 51.44 C ATOM 558 CD1 PHE A 33 -22.852 -10.446 -17.075 1.00 13.11 C ATOM 559 CD2 PHE A 33 -25.072 -10.825 -17.858 1.00 73.20 C ATOM 560 CE1 PHE A 33 -23.112 -11.216 -15.957 1.00 12.10 C ATOM 561 CE2 PHE A 33 -25.338 -11.596 -16.742 1.00 12.12 C ATOM 562 CZ PHE A 33 -24.357 -11.791 -15.790 1.00 10.44 C ATOM 0 H PHE A 33 -21.851 -8.288 -20.655 1.00 35.10 H new ATOM 0 HA PHE A 33 -22.208 -10.971 -19.877 1.00 43.50 H new ATOM 0 HB2 PHE A 33 -22.980 -8.523 -18.951 1.00 24.13 H new ATOM 0 HB3 PHE A 33 -24.486 -9.055 -19.671 1.00 24.13 H new ATOM 0 HD1 PHE A 33 -21.877 -9.998 -17.200 1.00 13.11 H new ATOM 0 HD2 PHE A 33 -25.843 -10.675 -18.599 1.00 73.20 H new ATOM 0 HE1 PHE A 33 -22.343 -11.368 -15.215 1.00 12.10 H new ATOM 0 HE2 PHE A 33 -26.312 -12.045 -16.615 1.00 12.12 H new ATOM 0 HZ PHE A 33 -24.563 -12.392 -14.916 1.00 10.44 H new ATOM 572 N ASP A 34 -23.927 -10.004 -22.457 1.00 34.24 N ATOM 573 CA ASP A 34 -24.825 -10.448 -23.517 1.00 10.21 C ATOM 574 C ASP A 34 -24.228 -11.629 -24.276 1.00 1.24 C ATOM 575 O ASP A 34 -24.898 -12.636 -24.502 1.00 11.25 O ATOM 576 CB ASP A 34 -25.114 -9.298 -24.484 1.00 34.45 C ATOM 577 CG ASP A 34 -25.672 -9.782 -25.808 1.00 11.03 C ATOM 578 OD1 ASP A 34 -24.883 -10.280 -26.637 1.00 23.31 O ATOM 579 OD2 ASP A 34 -26.898 -9.661 -26.015 1.00 62.33 O ATOM 0 H ASP A 34 -23.481 -9.103 -22.631 1.00 34.24 H new ATOM 0 HA ASP A 34 -25.759 -10.770 -23.057 1.00 10.21 H new ATOM 0 HB2 ASP A 34 -25.823 -8.610 -24.024 1.00 34.45 H new ATOM 0 HB3 ASP A 34 -24.196 -8.738 -24.663 1.00 34.45 H new ATOM 584 N GLU A 35 -22.964 -11.497 -24.667 1.00 13.41 N ATOM 585 CA GLU A 35 -22.278 -12.553 -25.402 1.00 55.31 C ATOM 586 C GLU A 35 -22.095 -13.792 -24.530 1.00 42.42 C ATOM 587 O GLU A 35 -22.224 -14.921 -25.003 1.00 63.14 O ATOM 588 CB GLU A 35 -20.918 -12.059 -25.898 1.00 50.43 C ATOM 589 CG GLU A 35 -21.009 -10.877 -26.849 1.00 15.54 C ATOM 590 CD GLU A 35 -21.220 -11.301 -28.289 1.00 41.11 C ATOM 591 OE1 GLU A 35 -22.391 -11.450 -28.698 1.00 4.11 O ATOM 592 OE2 GLU A 35 -20.215 -11.484 -29.007 1.00 60.21 O ATOM 0 H GLU A 35 -22.395 -10.670 -24.487 1.00 13.41 H new ATOM 0 HA GLU A 35 -22.893 -12.822 -26.260 1.00 55.31 H new ATOM 0 HB2 GLU A 35 -20.308 -11.778 -25.040 1.00 50.43 H new ATOM 0 HB3 GLU A 35 -20.404 -12.879 -26.399 1.00 50.43 H new ATOM 0 HG2 GLU A 35 -21.830 -10.230 -26.541 1.00 15.54 H new ATOM 0 HG3 GLU A 35 -20.095 -10.287 -26.778 1.00 15.54 H new ATOM 599 N ILE A 36 -21.793 -13.571 -23.255 1.00 44.12 N ATOM 600 CA ILE A 36 -21.592 -14.668 -22.317 1.00 64.43 C ATOM 601 C ILE A 36 -22.906 -15.377 -22.011 1.00 35.32 C ATOM 602 O ILE A 36 -22.938 -16.593 -21.823 1.00 24.11 O ATOM 603 CB ILE A 36 -20.968 -14.175 -20.998 1.00 40.35 C ATOM 604 CG1 ILE A 36 -19.615 -13.512 -21.265 1.00 61.24 C ATOM 605 CG2 ILE A 36 -20.815 -15.330 -20.020 1.00 44.22 C ATOM 606 CD1 ILE A 36 -19.136 -12.636 -20.129 1.00 34.12 C ATOM 0 H ILE A 36 -21.682 -12.642 -22.848 1.00 44.12 H new ATOM 0 HA ILE A 36 -20.906 -15.368 -22.794 1.00 64.43 H new ATOM 0 HB ILE A 36 -21.633 -13.434 -20.553 1.00 40.35 H new ATOM 0 HG12 ILE A 36 -18.871 -14.286 -21.454 1.00 61.24 H new ATOM 0 HG13 ILE A 36 -19.687 -12.911 -22.171 1.00 61.24 H new ATOM 0 HG21 ILE A 36 -20.373 -14.966 -19.093 1.00 44.22 H new ATOM 0 HG22 ILE A 36 -21.794 -15.761 -19.810 1.00 44.22 H new ATOM 0 HG23 ILE A 36 -20.169 -16.092 -20.455 1.00 44.22 H new ATOM 0 HD11 ILE A 36 -18.172 -12.199 -20.388 1.00 34.12 H new ATOM 0 HD12 ILE A 36 -19.859 -11.840 -19.953 1.00 34.12 H new ATOM 0 HD13 ILE A 36 -19.031 -13.237 -19.226 1.00 34.12 H new ATOM 618 N GLN A 37 -23.990 -14.609 -21.964 1.00 1.20 N ATOM 619 CA GLN A 37 -25.308 -15.164 -21.682 1.00 31.25 C ATOM 620 C GLN A 37 -25.757 -16.097 -22.802 1.00 13.25 C ATOM 621 O GLN A 37 -26.382 -17.127 -22.550 1.00 41.02 O ATOM 622 CB GLN A 37 -26.329 -14.040 -21.497 1.00 74.51 C ATOM 623 CG GLN A 37 -26.503 -13.607 -20.050 1.00 63.14 C ATOM 624 CD GLN A 37 -27.408 -12.400 -19.907 1.00 54.12 C ATOM 625 OE1 GLN A 37 -28.395 -12.433 -19.171 1.00 24.14 O ATOM 626 NE2 GLN A 37 -27.078 -11.324 -20.612 1.00 63.54 N ATOM 0 H GLN A 37 -23.981 -13.601 -22.118 1.00 1.20 H new ATOM 0 HA GLN A 37 -25.242 -15.740 -20.759 1.00 31.25 H new ATOM 0 HB2 GLN A 37 -26.021 -13.179 -22.090 1.00 74.51 H new ATOM 0 HB3 GLN A 37 -27.292 -14.368 -21.888 1.00 74.51 H new ATOM 0 HG2 GLN A 37 -26.915 -14.436 -19.474 1.00 63.14 H new ATOM 0 HG3 GLN A 37 -25.527 -13.377 -19.624 1.00 63.14 H new ATOM 0 HE21 GLN A 37 -26.252 -11.340 -21.210 1.00 63.54 H new ATOM 0 HE22 GLN A 37 -27.651 -10.482 -20.556 1.00 63.54 H new ATOM 635 N GLN A 38 -25.435 -15.728 -24.037 1.00 52.21 N ATOM 636 CA GLN A 38 -25.807 -16.532 -25.195 1.00 51.33 C ATOM 637 C GLN A 38 -24.935 -17.779 -25.295 1.00 40.10 C ATOM 638 O GLN A 38 -25.441 -18.899 -25.364 1.00 64.34 O ATOM 639 CB GLN A 38 -25.684 -15.705 -26.477 1.00 34.43 C ATOM 640 CG GLN A 38 -26.667 -14.548 -26.551 1.00 33.12 C ATOM 641 CD GLN A 38 -27.978 -14.936 -27.207 1.00 23.44 C ATOM 642 OE1 GLN A 38 -28.256 -14.548 -28.341 1.00 55.23 O ATOM 643 NE2 GLN A 38 -28.791 -15.707 -26.494 1.00 61.52 N ATOM 0 H GLN A 38 -24.918 -14.878 -24.262 1.00 52.21 H new ATOM 0 HA GLN A 38 -26.844 -16.845 -25.071 1.00 51.33 H new ATOM 0 HB2 GLN A 38 -24.669 -15.314 -26.551 1.00 34.43 H new ATOM 0 HB3 GLN A 38 -25.838 -16.357 -27.337 1.00 34.43 H new ATOM 0 HG2 GLN A 38 -26.864 -14.179 -25.544 1.00 33.12 H new ATOM 0 HG3 GLN A 38 -26.215 -13.728 -27.108 1.00 33.12 H new ATOM 0 HE21 GLN A 38 -28.520 -16.005 -25.557 1.00 61.52 H new ATOM 0 HE22 GLN A 38 -29.687 -16.001 -26.883 1.00 61.52 H new ATOM 652 N LYS A 39 -23.622 -17.577 -25.302 1.00 63.42 N ATOM 653 CA LYS A 39 -22.678 -18.685 -25.393 1.00 4.15 C ATOM 654 C LYS A 39 -22.899 -19.683 -24.260 1.00 54.42 C ATOM 655 O LYS A 39 -22.701 -20.886 -24.432 1.00 30.13 O ATOM 656 CB LYS A 39 -21.240 -18.161 -25.351 1.00 72.51 C ATOM 657 CG LYS A 39 -20.768 -17.791 -23.956 1.00 24.42 C ATOM 658 CD LYS A 39 -19.412 -17.105 -23.990 1.00 33.32 C ATOM 659 CE LYS A 39 -18.314 -18.063 -24.425 1.00 4.10 C ATOM 660 NZ LYS A 39 -18.096 -18.025 -25.898 1.00 34.53 N ATOM 0 H LYS A 39 -23.187 -16.656 -25.246 1.00 63.42 H new ATOM 0 HA LYS A 39 -22.846 -19.195 -26.341 1.00 4.15 H new ATOM 0 HB2 LYS A 39 -20.574 -18.920 -25.762 1.00 72.51 H new ATOM 0 HB3 LYS A 39 -21.162 -17.286 -25.996 1.00 72.51 H new ATOM 0 HG2 LYS A 39 -21.498 -17.132 -23.487 1.00 24.42 H new ATOM 0 HG3 LYS A 39 -20.707 -18.689 -23.341 1.00 24.42 H new ATOM 0 HD2 LYS A 39 -19.449 -16.257 -24.674 1.00 33.32 H new ATOM 0 HD3 LYS A 39 -19.179 -16.707 -23.002 1.00 33.32 H new ATOM 0 HE2 LYS A 39 -17.386 -17.808 -23.914 1.00 4.10 H new ATOM 0 HE3 LYS A 39 -18.576 -19.077 -24.123 1.00 4.10 H new ATOM 0 HZ1 LYS A 39 -18.136 -18.992 -26.280 1.00 34.53 H new ATOM 0 HZ2 LYS A 39 -18.836 -17.446 -26.344 1.00 34.53 H new ATOM 0 HZ3 LYS A 39 -17.164 -17.611 -26.100 1.00 34.53 H new ATOM 674 N LEU A 40 -23.313 -19.176 -23.104 1.00 1.20 N ATOM 675 CA LEU A 40 -23.563 -20.023 -21.943 1.00 75.12 C ATOM 676 C LEU A 40 -25.042 -20.384 -21.841 1.00 51.41 C ATOM 677 O LEU A 40 -25.440 -21.185 -20.994 1.00 43.54 O ATOM 678 CB LEU A 40 -23.110 -19.317 -20.664 1.00 65.13 C ATOM 679 CG LEU A 40 -21.614 -19.015 -20.559 1.00 53.00 C ATOM 680 CD1 LEU A 40 -21.276 -18.467 -19.181 1.00 52.13 C ATOM 681 CD2 LEU A 40 -20.796 -20.263 -20.854 1.00 22.51 C ATOM 0 H LEU A 40 -23.483 -18.183 -22.946 1.00 1.20 H new ATOM 0 HA LEU A 40 -22.990 -20.942 -22.065 1.00 75.12 H new ATOM 0 HB2 LEU A 40 -23.657 -18.378 -20.578 1.00 65.13 H new ATOM 0 HB3 LEU A 40 -23.397 -19.933 -19.812 1.00 65.13 H new ATOM 0 HG LEU A 40 -21.363 -18.257 -21.301 1.00 53.00 H new ATOM 0 HD11 LEU A 40 -20.208 -18.258 -19.125 1.00 52.13 H new ATOM 0 HD12 LEU A 40 -21.835 -17.548 -19.008 1.00 52.13 H new ATOM 0 HD13 LEU A 40 -21.542 -19.202 -18.422 1.00 52.13 H new ATOM 0 HD21 LEU A 40 -19.734 -20.029 -20.775 1.00 22.51 H new ATOM 0 HD22 LEU A 40 -21.051 -21.043 -20.136 1.00 22.51 H new ATOM 0 HD23 LEU A 40 -21.016 -20.612 -21.863 1.00 22.51 H new ATOM 693 N HIS A 41 -25.852 -19.789 -22.711 1.00 14.41 N ATOM 694 CA HIS A 41 -27.287 -20.049 -22.721 1.00 35.24 C ATOM 695 C HIS A 41 -27.882 -19.867 -21.327 1.00 53.45 C ATOM 696 O HIS A 41 -28.630 -20.717 -20.844 1.00 20.01 O ATOM 697 CB HIS A 41 -27.567 -21.465 -23.225 1.00 64.23 C ATOM 698 CG HIS A 41 -27.033 -21.727 -24.600 1.00 60.11 C ATOM 699 ND1 HIS A 41 -27.844 -21.940 -25.694 1.00 54.45 N ATOM 700 CD2 HIS A 41 -25.761 -21.808 -25.055 1.00 62.43 C ATOM 701 CE1 HIS A 41 -27.095 -22.142 -26.763 1.00 65.11 C ATOM 702 NE2 HIS A 41 -25.826 -22.067 -26.402 1.00 71.23 N ATOM 0 H HIS A 41 -25.539 -19.124 -23.418 1.00 14.41 H new ATOM 0 HA HIS A 41 -27.756 -19.332 -23.395 1.00 35.24 H new ATOM 0 HB2 HIS A 41 -27.129 -22.182 -22.531 1.00 64.23 H new ATOM 0 HB3 HIS A 41 -28.643 -21.636 -23.223 1.00 64.23 H new ATOM 0 HD1 HIS A 41 -28.864 -21.941 -25.680 1.00 54.45 H new ATOM 0 HD2 HIS A 41 -24.862 -21.691 -24.468 1.00 62.43 H new ATOM 0 HE1 HIS A 41 -27.458 -22.335 -27.762 1.00 65.11 H new ATOM 711 N CYS A 42 -27.545 -18.752 -20.687 1.00 23.42 N ATOM 712 CA CYS A 42 -28.044 -18.458 -19.349 1.00 3.00 C ATOM 713 C CYS A 42 -28.583 -17.033 -19.271 1.00 54.32 C ATOM 714 O CYS A 42 -28.383 -16.230 -20.183 1.00 63.34 O ATOM 715 CB CYS A 42 -26.934 -18.652 -18.314 1.00 21.01 C ATOM 716 SG CYS A 42 -25.451 -17.637 -18.614 1.00 15.31 S ATOM 0 H CYS A 42 -26.928 -18.037 -21.074 1.00 23.42 H new ATOM 0 HA CYS A 42 -28.859 -19.149 -19.132 1.00 3.00 H new ATOM 0 HB2 CYS A 42 -27.328 -18.416 -17.326 1.00 21.01 H new ATOM 0 HB3 CYS A 42 -26.645 -19.703 -18.300 1.00 21.01 H new ATOM 721 N CYS A 43 -29.269 -16.725 -18.175 1.00 50.34 N ATOM 722 CA CYS A 43 -29.838 -15.397 -17.977 1.00 33.31 C ATOM 723 C CYS A 43 -29.333 -14.778 -16.677 1.00 40.42 C ATOM 724 O CYS A 43 -29.193 -15.462 -15.664 1.00 52.51 O ATOM 725 CB CYS A 43 -31.366 -15.472 -17.959 1.00 33.44 C ATOM 726 SG CYS A 43 -32.104 -15.987 -19.543 1.00 34.25 S ATOM 0 H CYS A 43 -29.444 -17.377 -17.411 1.00 50.34 H new ATOM 0 HA CYS A 43 -29.522 -14.765 -18.807 1.00 33.31 H new ATOM 0 HB2 CYS A 43 -31.676 -16.171 -17.182 1.00 33.44 H new ATOM 0 HB3 CYS A 43 -31.764 -14.495 -17.686 1.00 33.44 H new ATOM 731 N GLY A 44 -29.061 -13.477 -16.715 1.00 3.42 N ATOM 732 CA GLY A 44 -28.574 -12.786 -15.535 1.00 32.13 C ATOM 733 C GLY A 44 -27.397 -13.493 -14.893 1.00 62.24 C ATOM 734 O GLY A 44 -26.823 -14.412 -15.477 1.00 44.45 O ATOM 0 H GLY A 44 -29.169 -12.889 -17.542 1.00 3.42 H new ATOM 0 HA2 GLY A 44 -28.280 -11.772 -15.807 1.00 32.13 H new ATOM 0 HA3 GLY A 44 -29.382 -12.700 -14.809 1.00 32.13 H new ATOM 738 N ALA A 45 -27.035 -13.064 -13.689 1.00 10.51 N ATOM 739 CA ALA A 45 -25.919 -13.662 -12.968 1.00 5.11 C ATOM 740 C ALA A 45 -26.326 -14.982 -12.323 1.00 61.52 C ATOM 741 O ALA A 45 -25.860 -16.049 -12.723 1.00 63.43 O ATOM 742 CB ALA A 45 -25.393 -12.698 -11.914 1.00 73.03 C ATOM 0 H ALA A 45 -27.499 -12.304 -13.192 1.00 10.51 H new ATOM 0 HA ALA A 45 -25.125 -13.868 -13.685 1.00 5.11 H new ATOM 0 HB1 ALA A 45 -24.560 -13.158 -11.383 1.00 73.03 H new ATOM 0 HB2 ALA A 45 -25.054 -11.781 -12.396 1.00 73.03 H new ATOM 0 HB3 ALA A 45 -26.188 -12.463 -11.206 1.00 73.03 H new ATOM 748 N ASP A 46 -27.197 -14.903 -11.324 1.00 33.44 N ATOM 749 CA ASP A 46 -27.668 -16.093 -10.624 1.00 2.05 C ATOM 750 C ASP A 46 -29.082 -16.458 -11.062 1.00 54.15 C ATOM 751 O ASP A 46 -29.603 -17.513 -10.700 1.00 0.35 O ATOM 752 CB ASP A 46 -27.632 -15.868 -9.111 1.00 63.41 C ATOM 753 CG ASP A 46 -27.032 -17.044 -8.365 1.00 61.23 C ATOM 754 OD1 ASP A 46 -27.081 -18.172 -8.899 1.00 3.11 O ATOM 755 OD2 ASP A 46 -26.514 -16.837 -7.248 1.00 14.35 O ATOM 0 H ASP A 46 -27.592 -14.028 -10.980 1.00 33.44 H new ATOM 0 HA ASP A 46 -27.004 -16.920 -10.877 1.00 2.05 H new ATOM 0 HB2 ASP A 46 -27.053 -14.970 -8.894 1.00 63.41 H new ATOM 0 HB3 ASP A 46 -28.645 -15.690 -8.749 1.00 63.41 H new ATOM 760 N SER A 47 -29.699 -15.578 -11.845 1.00 15.04 N ATOM 761 CA SER A 47 -31.056 -15.805 -12.329 1.00 61.11 C ATOM 762 C SER A 47 -31.513 -14.657 -13.223 1.00 42.45 C ATOM 763 O SER A 47 -30.958 -13.558 -13.198 1.00 51.22 O ATOM 764 CB SER A 47 -32.020 -15.965 -11.152 1.00 54.13 C ATOM 765 OG SER A 47 -32.232 -17.333 -10.848 1.00 41.34 O ATOM 0 H SER A 47 -29.281 -14.702 -12.157 1.00 15.04 H new ATOM 0 HA SER A 47 -31.057 -16.723 -12.917 1.00 61.11 H new ATOM 0 HB2 SER A 47 -31.619 -15.453 -10.277 1.00 54.13 H new ATOM 0 HB3 SER A 47 -32.972 -15.491 -11.391 1.00 54.13 H new ATOM 0 HG SER A 47 -31.370 -17.769 -10.682 1.00 41.34 H new ATOM 771 N PRO A 48 -32.550 -14.916 -14.034 1.00 45.52 N ATOM 772 CA PRO A 48 -33.105 -13.917 -14.952 1.00 53.20 C ATOM 773 C PRO A 48 -33.833 -12.796 -14.218 1.00 33.14 C ATOM 774 O PRO A 48 -33.976 -11.689 -14.737 1.00 73.24 O ATOM 775 CB PRO A 48 -34.088 -14.725 -15.803 1.00 30.10 C ATOM 776 CG PRO A 48 -34.473 -15.879 -14.943 1.00 70.34 C ATOM 777 CD PRO A 48 -33.259 -16.203 -14.117 1.00 33.11 C ATOM 0 HA PRO A 48 -32.327 -13.419 -15.531 1.00 53.20 H new ATOM 0 HB2 PRO A 48 -34.958 -14.128 -16.077 1.00 30.10 H new ATOM 0 HB3 PRO A 48 -33.626 -15.060 -16.731 1.00 30.10 H new ATOM 0 HG2 PRO A 48 -35.321 -15.626 -14.307 1.00 70.34 H new ATOM 0 HG3 PRO A 48 -34.773 -16.734 -15.549 1.00 70.34 H new ATOM 0 HD2 PRO A 48 -33.532 -16.576 -13.130 1.00 33.11 H new ATOM 0 HD3 PRO A 48 -32.645 -16.970 -14.589 1.00 33.11 H new ATOM 785 N LYS A 49 -34.292 -13.090 -13.006 1.00 2.44 N ATOM 786 CA LYS A 49 -35.004 -12.107 -12.198 1.00 1.43 C ATOM 787 C LYS A 49 -34.089 -10.945 -11.823 1.00 52.21 C ATOM 788 O LYS A 49 -34.557 -9.872 -11.442 1.00 13.12 O ATOM 789 CB LYS A 49 -35.558 -12.762 -10.931 1.00 30.32 C ATOM 790 CG LYS A 49 -34.490 -13.400 -10.059 1.00 72.11 C ATOM 791 CD LYS A 49 -34.072 -12.479 -8.925 1.00 52.34 C ATOM 792 CE LYS A 49 -34.895 -12.730 -7.671 1.00 51.30 C ATOM 793 NZ LYS A 49 -34.247 -12.158 -6.459 1.00 3.44 N ATOM 0 H LYS A 49 -34.183 -14.002 -12.562 1.00 2.44 H new ATOM 0 HA LYS A 49 -35.832 -11.718 -12.791 1.00 1.43 H new ATOM 0 HB2 LYS A 49 -36.091 -12.011 -10.347 1.00 30.32 H new ATOM 0 HB3 LYS A 49 -36.286 -13.522 -11.214 1.00 30.32 H new ATOM 0 HG2 LYS A 49 -34.866 -14.337 -9.648 1.00 72.11 H new ATOM 0 HG3 LYS A 49 -33.620 -13.646 -10.669 1.00 72.11 H new ATOM 0 HD2 LYS A 49 -33.015 -12.629 -8.704 1.00 52.34 H new ATOM 0 HD3 LYS A 49 -34.189 -11.441 -9.236 1.00 52.34 H new ATOM 0 HE2 LYS A 49 -35.886 -12.293 -7.793 1.00 51.30 H new ATOM 0 HE3 LYS A 49 -35.034 -13.803 -7.536 1.00 51.30 H new ATOM 0 HZ1 LYS A 49 -34.839 -12.350 -5.626 1.00 3.44 H new ATOM 0 HZ2 LYS A 49 -33.312 -12.593 -6.327 1.00 3.44 H new ATOM 0 HZ3 LYS A 49 -34.137 -11.130 -6.576 1.00 3.44 H new ATOM 807 N ASP A 50 -32.784 -11.165 -11.935 1.00 71.55 N ATOM 808 CA ASP A 50 -31.804 -10.136 -11.611 1.00 2.30 C ATOM 809 C ASP A 50 -32.047 -8.875 -12.435 1.00 21.11 C ATOM 810 O ASP A 50 -31.651 -7.778 -12.041 1.00 13.23 O ATOM 811 CB ASP A 50 -30.386 -10.655 -11.857 1.00 34.22 C ATOM 812 CG ASP A 50 -29.983 -11.729 -10.865 1.00 50.40 C ATOM 813 OD1 ASP A 50 -30.263 -11.558 -9.660 1.00 45.32 O ATOM 814 OD2 ASP A 50 -29.387 -12.739 -11.294 1.00 30.24 O ATOM 0 H ASP A 50 -32.380 -12.048 -12.248 1.00 71.55 H new ATOM 0 HA ASP A 50 -31.913 -9.886 -10.556 1.00 2.30 H new ATOM 0 HB2 ASP A 50 -30.319 -11.055 -12.869 1.00 34.22 H new ATOM 0 HB3 ASP A 50 -29.682 -9.825 -11.795 1.00 34.22 H new ATOM 819 N TYR A 51 -32.699 -9.040 -13.581 1.00 25.04 N ATOM 820 CA TYR A 51 -32.991 -7.916 -14.462 1.00 72.00 C ATOM 821 C TYR A 51 -34.364 -7.326 -14.155 1.00 73.22 C ATOM 822 O TYR A 51 -34.646 -6.175 -14.486 1.00 74.41 O ATOM 823 CB TYR A 51 -32.929 -8.358 -15.925 1.00 32.50 C ATOM 824 CG TYR A 51 -31.525 -8.632 -16.416 1.00 35.12 C ATOM 825 CD1 TYR A 51 -30.546 -7.648 -16.363 1.00 51.24 C ATOM 826 CD2 TYR A 51 -31.179 -9.874 -16.933 1.00 23.22 C ATOM 827 CE1 TYR A 51 -29.262 -7.893 -16.811 1.00 54.13 C ATOM 828 CE2 TYR A 51 -29.897 -10.129 -17.382 1.00 13.44 C ATOM 829 CZ TYR A 51 -28.943 -9.135 -17.319 1.00 42.10 C ATOM 830 OH TYR A 51 -27.666 -9.384 -17.766 1.00 44.14 O ATOM 0 H TYR A 51 -33.035 -9.941 -13.921 1.00 25.04 H new ATOM 0 HA TYR A 51 -32.238 -7.147 -14.290 1.00 72.00 H new ATOM 0 HB2 TYR A 51 -33.531 -9.258 -16.050 1.00 32.50 H new ATOM 0 HB3 TYR A 51 -33.379 -7.585 -16.549 1.00 32.50 H new ATOM 0 HD1 TYR A 51 -30.793 -6.675 -15.965 1.00 51.24 H new ATOM 0 HD2 TYR A 51 -31.925 -10.654 -16.985 1.00 23.22 H new ATOM 0 HE1 TYR A 51 -28.513 -7.117 -16.764 1.00 54.13 H new ATOM 0 HE2 TYR A 51 -29.644 -11.101 -17.780 1.00 13.44 H new ATOM 0 HH TYR A 51 -27.268 -8.552 -18.098 1.00 44.14 H new ATOM 840 N GLY A 52 -35.216 -8.125 -13.519 1.00 23.13 N ATOM 841 CA GLY A 52 -36.549 -7.666 -13.177 1.00 32.05 C ATOM 842 C GLY A 52 -37.633 -8.448 -13.891 1.00 61.44 C ATOM 843 O GLY A 52 -38.057 -9.504 -13.422 1.00 12.42 O ATOM 0 H GLY A 52 -35.006 -9.082 -13.235 1.00 23.13 H new ATOM 0 HA2 GLY A 52 -36.694 -7.751 -12.100 1.00 32.05 H new ATOM 0 HA3 GLY A 52 -36.642 -6.610 -13.429 1.00 32.05 H new ATOM 847 N GLU A 53 -38.083 -7.929 -15.030 1.00 23.24 N ATOM 848 CA GLU A 53 -39.126 -8.586 -15.808 1.00 61.04 C ATOM 849 C GLU A 53 -38.920 -8.350 -17.302 1.00 12.51 C ATOM 850 O GLU A 53 -39.846 -8.500 -18.098 1.00 10.41 O ATOM 851 CB GLU A 53 -40.506 -8.077 -15.386 1.00 23.44 C ATOM 852 CG GLU A 53 -40.643 -6.566 -15.449 1.00 42.51 C ATOM 853 CD GLU A 53 -41.970 -6.124 -16.034 1.00 71.25 C ATOM 854 OE1 GLU A 53 -42.998 -6.762 -15.723 1.00 42.53 O ATOM 855 OE2 GLU A 53 -41.981 -5.140 -16.804 1.00 23.50 O ATOM 0 H GLU A 53 -37.742 -7.057 -15.433 1.00 23.24 H new ATOM 0 HA GLU A 53 -39.067 -9.657 -15.615 1.00 61.04 H new ATOM 0 HB2 GLU A 53 -41.262 -8.529 -16.028 1.00 23.44 H new ATOM 0 HB3 GLU A 53 -40.711 -8.410 -14.368 1.00 23.44 H new ATOM 0 HG2 GLU A 53 -40.537 -6.153 -14.446 1.00 42.51 H new ATOM 0 HG3 GLU A 53 -39.831 -6.156 -16.050 1.00 42.51 H new ATOM 862 N ASN A 54 -37.699 -7.978 -17.674 1.00 34.14 N ATOM 863 CA ASN A 54 -37.371 -7.719 -19.071 1.00 35.41 C ATOM 864 C ASN A 54 -35.871 -7.851 -19.311 1.00 25.22 C ATOM 865 O ASN A 54 -35.151 -6.863 -19.458 1.00 52.14 O ATOM 866 CB ASN A 54 -37.843 -6.322 -19.477 1.00 14.32 C ATOM 867 CG ASN A 54 -39.343 -6.258 -19.693 1.00 71.01 C ATOM 868 OD1 ASN A 54 -40.066 -5.777 -18.688 1.00 74.34 O flip ATOM 869 ND2 ASN A 54 -39.845 -6.636 -20.751 1.00 23.41 N flip ATOM 0 H ASN A 54 -36.921 -7.849 -17.027 1.00 34.14 H new ATOM 0 HA ASN A 54 -37.885 -8.461 -19.682 1.00 35.41 H new ATOM 0 HB2 ASN A 54 -37.559 -5.607 -18.705 1.00 14.32 H new ATOM 0 HB3 ASN A 54 -37.334 -6.021 -20.393 1.00 14.32 H new ATOM 0 HD21 ASN A 54 -39.251 -6.999 -21.497 1.00 23.41 H new ATOM 0 HD22 ASN A 54 -40.855 -6.587 -20.882 1.00 23.41 H new ATOM 876 N PRO A 55 -35.385 -9.101 -19.352 1.00 13.05 N ATOM 877 CA PRO A 55 -33.966 -9.392 -19.575 1.00 31.35 C ATOM 878 C PRO A 55 -33.525 -9.070 -20.998 1.00 42.21 C ATOM 879 O PRO A 55 -34.342 -8.834 -21.889 1.00 23.05 O ATOM 880 CB PRO A 55 -33.867 -10.897 -19.312 1.00 33.01 C ATOM 881 CG PRO A 55 -35.235 -11.420 -19.586 1.00 51.00 C ATOM 882 CD PRO A 55 -36.185 -10.326 -19.184 1.00 20.04 C ATOM 0 HA PRO A 55 -33.321 -8.790 -18.935 1.00 31.35 H new ATOM 0 HB2 PRO A 55 -33.127 -11.365 -19.961 1.00 33.01 H new ATOM 0 HB3 PRO A 55 -33.564 -11.100 -18.285 1.00 33.01 H new ATOM 0 HG2 PRO A 55 -35.353 -11.671 -20.640 1.00 51.00 H new ATOM 0 HG3 PRO A 55 -35.426 -12.331 -19.018 1.00 51.00 H new ATOM 0 HD2 PRO A 55 -37.075 -10.315 -19.814 1.00 20.04 H new ATOM 0 HD3 PRO A 55 -36.524 -10.446 -18.155 1.00 20.04 H new ATOM 890 N PRO A 56 -32.202 -9.059 -21.220 1.00 71.04 N ATOM 891 CA PRO A 56 -31.623 -8.768 -22.535 1.00 43.20 C ATOM 892 C PRO A 56 -31.882 -9.883 -23.543 1.00 1.54 C ATOM 893 O PRO A 56 -32.177 -11.018 -23.167 1.00 4.31 O ATOM 894 CB PRO A 56 -30.125 -8.648 -22.244 1.00 3.12 C ATOM 895 CG PRO A 56 -29.911 -9.464 -21.016 1.00 61.52 C ATOM 896 CD PRO A 56 -31.170 -9.331 -20.206 1.00 13.15 C ATOM 0 HA PRO A 56 -32.058 -7.874 -22.983 1.00 43.20 H new ATOM 0 HB2 PRO A 56 -29.529 -9.022 -23.076 1.00 3.12 H new ATOM 0 HB3 PRO A 56 -29.835 -7.610 -22.085 1.00 3.12 H new ATOM 0 HG2 PRO A 56 -29.718 -10.507 -21.269 1.00 61.52 H new ATOM 0 HG3 PRO A 56 -29.047 -9.107 -20.456 1.00 61.52 H new ATOM 0 HD2 PRO A 56 -31.386 -10.242 -19.647 1.00 13.15 H new ATOM 0 HD3 PRO A 56 -31.097 -8.521 -19.480 1.00 13.15 H new ATOM 904 N THR A 57 -31.770 -9.552 -24.826 1.00 31.34 N ATOM 905 CA THR A 57 -31.993 -10.525 -25.887 1.00 60.35 C ATOM 906 C THR A 57 -31.073 -11.731 -25.731 1.00 10.42 C ATOM 907 O THR A 57 -31.374 -12.821 -26.218 1.00 2.55 O ATOM 908 CB THR A 57 -31.770 -9.901 -27.278 1.00 3.33 C ATOM 909 OG1 THR A 57 -32.006 -10.878 -28.297 1.00 41.24 O ATOM 910 CG2 THR A 57 -30.354 -9.358 -27.406 1.00 74.12 C ATOM 0 H THR A 57 -31.526 -8.618 -25.155 1.00 31.34 H new ATOM 0 HA THR A 57 -33.030 -10.850 -25.804 1.00 60.35 H new ATOM 0 HB THR A 57 -32.471 -9.075 -27.399 1.00 3.33 H new ATOM 0 HG1 THR A 57 -31.864 -10.473 -29.178 1.00 41.24 H new ATOM 0 HG21 THR A 57 -30.220 -8.922 -28.396 1.00 74.12 H new ATOM 0 HG22 THR A 57 -30.188 -8.593 -26.647 1.00 74.12 H new ATOM 0 HG23 THR A 57 -29.639 -10.169 -27.266 1.00 74.12 H new ATOM 918 N SER A 58 -29.951 -11.528 -25.048 1.00 2.11 N ATOM 919 CA SER A 58 -28.985 -12.598 -24.830 1.00 21.33 C ATOM 920 C SER A 58 -29.582 -13.699 -23.959 1.00 22.55 C ATOM 921 O SER A 58 -29.070 -14.819 -23.915 1.00 14.21 O ATOM 922 CB SER A 58 -27.718 -12.045 -24.175 1.00 2.11 C ATOM 923 OG SER A 58 -28.022 -10.972 -23.300 1.00 75.24 O ATOM 0 H SER A 58 -29.689 -10.632 -24.636 1.00 2.11 H new ATOM 0 HA SER A 58 -28.727 -13.024 -25.800 1.00 21.33 H new ATOM 0 HB2 SER A 58 -27.215 -12.838 -23.622 1.00 2.11 H new ATOM 0 HB3 SER A 58 -27.025 -11.705 -24.945 1.00 2.11 H new ATOM 0 HG SER A 58 -27.769 -10.124 -23.722 1.00 75.24 H new ATOM 929 N CYS A 59 -30.668 -13.374 -23.266 1.00 3.55 N ATOM 930 CA CYS A 59 -31.336 -14.333 -22.394 1.00 50.44 C ATOM 931 C CYS A 59 -32.154 -15.330 -23.210 1.00 21.14 C ATOM 932 O CYS A 59 -32.409 -16.449 -22.766 1.00 22.55 O ATOM 933 CB CYS A 59 -32.243 -13.605 -21.400 1.00 41.42 C ATOM 934 SG CYS A 59 -33.310 -14.709 -20.420 1.00 64.21 S ATOM 0 H CYS A 59 -31.105 -12.453 -23.291 1.00 3.55 H new ATOM 0 HA CYS A 59 -30.571 -14.881 -21.843 1.00 50.44 H new ATOM 0 HB2 CYS A 59 -31.623 -13.019 -20.721 1.00 41.42 H new ATOM 0 HB3 CYS A 59 -32.871 -12.901 -21.946 1.00 41.42 H new ATOM 939 N SER A 60 -32.562 -14.916 -24.405 1.00 1.52 N ATOM 940 CA SER A 60 -33.354 -15.771 -25.281 1.00 42.42 C ATOM 941 C SER A 60 -32.629 -16.016 -26.601 1.00 2.10 C ATOM 942 O SER A 60 -31.713 -15.278 -26.967 1.00 35.11 O ATOM 943 CB SER A 60 -34.721 -15.138 -25.547 1.00 41.52 C ATOM 944 OG SER A 60 -34.603 -13.742 -25.764 1.00 72.13 O ATOM 0 H SER A 60 -32.357 -13.993 -24.789 1.00 1.52 H new ATOM 0 HA SER A 60 -33.496 -16.729 -24.781 1.00 42.42 H new ATOM 0 HB2 SER A 60 -35.179 -15.607 -26.418 1.00 41.52 H new ATOM 0 HB3 SER A 60 -35.382 -15.323 -24.700 1.00 41.52 H new ATOM 0 HG SER A 60 -35.490 -13.361 -25.933 1.00 72.13 H new ATOM 950 N LYS A 61 -33.045 -17.058 -27.312 1.00 63.24 N ATOM 951 CA LYS A 61 -32.438 -17.403 -28.593 1.00 3.44 C ATOM 952 C LYS A 61 -33.363 -18.299 -29.410 1.00 25.25 C ATOM 953 O LYS A 61 -33.870 -19.304 -28.910 1.00 4.53 O ATOM 954 CB LYS A 61 -31.095 -18.103 -28.372 1.00 31.02 C ATOM 955 CG LYS A 61 -30.127 -17.941 -29.531 1.00 21.41 C ATOM 956 CD LYS A 61 -29.454 -19.257 -29.883 1.00 22.40 C ATOM 957 CE LYS A 61 -30.296 -20.072 -30.853 1.00 22.01 C ATOM 958 NZ LYS A 61 -29.675 -21.392 -31.153 1.00 32.13 N ATOM 0 H LYS A 61 -33.801 -17.679 -27.023 1.00 63.24 H new ATOM 0 HA LYS A 61 -32.272 -16.480 -29.149 1.00 3.44 H new ATOM 0 HB2 LYS A 61 -30.634 -17.709 -27.467 1.00 31.02 H new ATOM 0 HB3 LYS A 61 -31.272 -19.165 -28.203 1.00 31.02 H new ATOM 0 HG2 LYS A 61 -30.661 -17.560 -30.402 1.00 21.41 H new ATOM 0 HG3 LYS A 61 -29.369 -17.201 -29.273 1.00 21.41 H new ATOM 0 HD2 LYS A 61 -28.477 -19.061 -30.324 1.00 22.40 H new ATOM 0 HD3 LYS A 61 -29.283 -19.834 -28.974 1.00 22.40 H new ATOM 0 HE2 LYS A 61 -31.289 -20.225 -30.431 1.00 22.01 H new ATOM 0 HE3 LYS A 61 -30.426 -19.513 -31.780 1.00 22.01 H new ATOM 0 HZ1 LYS A 61 -30.279 -21.917 -31.817 1.00 32.13 H new ATOM 0 HZ2 LYS A 61 -28.738 -21.246 -31.579 1.00 32.13 H new ATOM 0 HZ3 LYS A 61 -29.574 -21.936 -30.273 1.00 32.13 H new ATOM 972 N ASP A 62 -33.576 -17.931 -30.668 1.00 14.32 N ATOM 973 CA ASP A 62 -34.438 -18.703 -31.555 1.00 33.42 C ATOM 974 C ASP A 62 -35.863 -18.761 -31.013 1.00 73.04 C ATOM 975 O ASP A 62 -36.603 -19.706 -31.285 1.00 15.55 O ATOM 976 CB ASP A 62 -33.888 -20.120 -31.729 1.00 40.20 C ATOM 977 CG ASP A 62 -34.296 -20.741 -33.051 1.00 4.33 C ATOM 978 OD1 ASP A 62 -34.150 -20.068 -34.093 1.00 13.43 O ATOM 979 OD2 ASP A 62 -34.759 -21.900 -33.043 1.00 60.11 O ATOM 0 H ASP A 62 -33.163 -17.103 -31.097 1.00 14.32 H new ATOM 0 HA ASP A 62 -34.457 -18.207 -32.525 1.00 33.42 H new ATOM 0 HB2 ASP A 62 -32.800 -20.095 -31.663 1.00 40.20 H new ATOM 0 HB3 ASP A 62 -34.243 -20.747 -30.911 1.00 40.20 H new ATOM 984 N GLY A 63 -36.241 -17.744 -30.245 1.00 41.41 N ATOM 985 CA GLY A 63 -37.575 -17.699 -29.677 1.00 14.44 C ATOM 986 C GLY A 63 -37.711 -18.572 -28.445 1.00 43.21 C ATOM 987 O GLY A 63 -38.810 -19.004 -28.099 1.00 73.12 O ATOM 0 H GLY A 63 -35.647 -16.950 -30.006 1.00 41.41 H new ATOM 0 HA2 GLY A 63 -37.822 -16.669 -29.418 1.00 14.44 H new ATOM 0 HA3 GLY A 63 -38.297 -18.020 -30.428 1.00 14.44 H new ATOM 991 N VAL A 64 -36.589 -18.834 -27.781 1.00 72.13 N ATOM 992 CA VAL A 64 -36.587 -19.662 -26.581 1.00 60.33 C ATOM 993 C VAL A 64 -35.993 -18.910 -25.396 1.00 25.42 C ATOM 994 O VAL A 64 -35.199 -17.986 -25.570 1.00 12.10 O ATOM 995 CB VAL A 64 -35.794 -20.964 -26.799 1.00 64.35 C ATOM 996 CG1 VAL A 64 -34.324 -20.756 -26.467 1.00 61.23 C ATOM 997 CG2 VAL A 64 -36.382 -22.093 -25.966 1.00 55.51 C ATOM 0 H VAL A 64 -35.670 -18.485 -28.054 1.00 72.13 H new ATOM 0 HA VAL A 64 -37.626 -19.910 -26.366 1.00 60.33 H new ATOM 0 HB VAL A 64 -35.869 -21.242 -27.850 1.00 64.35 H new ATOM 0 HG11 VAL A 64 -33.780 -21.687 -26.627 1.00 61.23 H new ATOM 0 HG12 VAL A 64 -33.912 -19.979 -27.111 1.00 61.23 H new ATOM 0 HG13 VAL A 64 -34.226 -20.453 -25.425 1.00 61.23 H new ATOM 0 HG21 VAL A 64 -35.809 -23.005 -26.133 1.00 55.51 H new ATOM 0 HG22 VAL A 64 -36.340 -21.826 -24.910 1.00 55.51 H new ATOM 0 HG23 VAL A 64 -37.419 -22.258 -26.257 1.00 55.51 H new ATOM 1007 N GLN A 65 -36.382 -19.314 -24.191 1.00 24.13 N ATOM 1008 CA GLN A 65 -35.887 -18.678 -22.976 1.00 3.33 C ATOM 1009 C GLN A 65 -34.966 -19.618 -22.205 1.00 33.23 C ATOM 1010 O GLN A 65 -35.264 -20.802 -22.046 1.00 65.42 O ATOM 1011 CB GLN A 65 -37.056 -18.247 -22.088 1.00 25.32 C ATOM 1012 CG GLN A 65 -36.693 -17.159 -21.090 1.00 52.24 C ATOM 1013 CD GLN A 65 -36.459 -17.701 -19.694 1.00 72.02 C ATOM 1014 OE1 GLN A 65 -36.954 -18.771 -19.340 1.00 74.43 O ATOM 1015 NE2 GLN A 65 -35.701 -16.963 -18.892 1.00 23.32 N ATOM 0 H GLN A 65 -37.038 -20.078 -24.030 1.00 24.13 H new ATOM 0 HA GLN A 65 -35.315 -17.796 -23.265 1.00 3.33 H new ATOM 0 HB2 GLN A 65 -37.870 -17.892 -22.720 1.00 25.32 H new ATOM 0 HB3 GLN A 65 -37.429 -19.116 -21.546 1.00 25.32 H new ATOM 0 HG2 GLN A 65 -35.795 -16.644 -21.431 1.00 52.24 H new ATOM 0 HG3 GLN A 65 -37.492 -16.419 -21.059 1.00 52.24 H new ATOM 0 HE21 GLN A 65 -35.311 -16.082 -19.227 1.00 23.32 H new ATOM 0 HE22 GLN A 65 -35.509 -17.277 -17.941 1.00 23.32 H new ATOM 1024 N PHE A 66 -33.847 -19.083 -21.727 1.00 74.34 N ATOM 1025 CA PHE A 66 -32.882 -19.875 -20.974 1.00 33.42 C ATOM 1026 C PHE A 66 -33.209 -19.857 -19.483 1.00 51.24 C ATOM 1027 O PHE A 66 -33.012 -18.848 -18.805 1.00 32.33 O ATOM 1028 CB PHE A 66 -31.465 -19.345 -21.203 1.00 75.44 C ATOM 1029 CG PHE A 66 -31.027 -19.409 -22.638 1.00 64.54 C ATOM 1030 CD1 PHE A 66 -31.338 -20.508 -23.423 1.00 42.04 C ATOM 1031 CD2 PHE A 66 -30.302 -18.371 -23.202 1.00 74.42 C ATOM 1032 CE1 PHE A 66 -30.936 -20.570 -24.744 1.00 62.04 C ATOM 1033 CE2 PHE A 66 -29.898 -18.428 -24.523 1.00 12.34 C ATOM 1034 CZ PHE A 66 -30.214 -19.529 -25.294 1.00 52.23 C ATOM 0 H PHE A 66 -33.586 -18.104 -21.848 1.00 74.34 H new ATOM 0 HA PHE A 66 -32.939 -20.904 -21.329 1.00 33.42 H new ATOM 0 HB2 PHE A 66 -31.412 -18.311 -20.861 1.00 75.44 H new ATOM 0 HB3 PHE A 66 -30.768 -19.919 -20.592 1.00 75.44 H new ATOM 0 HD1 PHE A 66 -31.901 -21.326 -22.998 1.00 42.04 H new ATOM 0 HD2 PHE A 66 -30.050 -17.508 -22.603 1.00 74.42 H new ATOM 0 HE1 PHE A 66 -31.186 -21.431 -25.345 1.00 62.04 H new ATOM 0 HE2 PHE A 66 -29.336 -17.612 -24.952 1.00 12.34 H new ATOM 0 HZ PHE A 66 -29.897 -19.576 -26.325 1.00 52.23 H new ATOM 1044 N THR A 67 -33.711 -20.980 -18.980 1.00 22.25 N ATOM 1045 CA THR A 67 -34.067 -21.094 -17.571 1.00 11.21 C ATOM 1046 C THR A 67 -32.892 -21.607 -16.746 1.00 52.03 C ATOM 1047 O THR A 67 -33.050 -22.500 -15.915 1.00 3.15 O ATOM 1048 CB THR A 67 -35.270 -22.034 -17.370 1.00 33.31 C ATOM 1049 OG1 THR A 67 -35.023 -23.290 -18.011 1.00 61.43 O ATOM 1050 CG2 THR A 67 -36.541 -21.414 -17.931 1.00 33.42 C ATOM 0 H THR A 67 -33.880 -21.824 -19.527 1.00 22.25 H new ATOM 0 HA THR A 67 -34.336 -20.094 -17.231 1.00 11.21 H new ATOM 0 HB THR A 67 -35.404 -22.193 -16.300 1.00 33.31 H new ATOM 0 HG1 THR A 67 -35.792 -23.882 -17.877 1.00 61.43 H new ATOM 0 HG21 THR A 67 -37.377 -22.096 -17.777 1.00 33.42 H new ATOM 0 HG22 THR A 67 -36.743 -20.472 -17.420 1.00 33.42 H new ATOM 0 HG23 THR A 67 -36.415 -21.229 -18.998 1.00 33.42 H new ATOM 1058 N GLU A 68 -31.715 -21.036 -16.982 1.00 51.04 N ATOM 1059 CA GLU A 68 -30.514 -21.437 -16.260 1.00 64.32 C ATOM 1060 C GLU A 68 -29.660 -20.223 -15.907 1.00 42.34 C ATOM 1061 O GLU A 68 -29.627 -19.238 -16.644 1.00 71.02 O ATOM 1062 CB GLU A 68 -29.695 -22.424 -17.095 1.00 75.43 C ATOM 1063 CG GLU A 68 -30.358 -23.783 -17.254 1.00 4.25 C ATOM 1064 CD GLU A 68 -30.301 -24.611 -15.984 1.00 54.52 C ATOM 1065 OE1 GLU A 68 -29.711 -24.134 -14.992 1.00 20.40 O ATOM 1066 OE2 GLU A 68 -30.847 -25.734 -15.983 1.00 11.40 O ATOM 0 H GLU A 68 -31.568 -20.295 -17.667 1.00 51.04 H new ATOM 0 HA GLU A 68 -30.824 -21.924 -15.335 1.00 64.32 H new ATOM 0 HB2 GLU A 68 -29.522 -21.996 -18.082 1.00 75.43 H new ATOM 0 HB3 GLU A 68 -28.718 -22.558 -16.630 1.00 75.43 H new ATOM 0 HG2 GLU A 68 -31.399 -23.644 -17.546 1.00 4.25 H new ATOM 0 HG3 GLU A 68 -29.870 -24.329 -18.062 1.00 4.25 H new ATOM 1073 N GLY A 69 -28.970 -20.301 -14.774 1.00 4.25 N ATOM 1074 CA GLY A 69 -28.126 -19.202 -14.342 1.00 24.14 C ATOM 1075 C GLY A 69 -26.764 -19.221 -15.007 1.00 25.35 C ATOM 1076 O GLY A 69 -26.440 -20.149 -15.749 1.00 41.54 O ATOM 0 H GLY A 69 -28.980 -21.106 -14.147 1.00 4.25 H new ATOM 0 HA2 GLY A 69 -28.622 -18.257 -14.565 1.00 24.14 H new ATOM 0 HA3 GLY A 69 -27.999 -19.248 -13.260 1.00 24.14 H new ATOM 1080 N CYS A 70 -25.963 -18.194 -14.741 1.00 61.54 N ATOM 1081 CA CYS A 70 -24.629 -18.095 -15.321 1.00 2.24 C ATOM 1082 C CYS A 70 -23.568 -18.558 -14.326 1.00 71.44 C ATOM 1083 O CYS A 70 -22.610 -19.237 -14.697 1.00 43.11 O ATOM 1084 CB CYS A 70 -24.344 -16.655 -15.753 1.00 21.11 C ATOM 1085 SG CYS A 70 -25.111 -16.189 -17.338 1.00 64.23 S ATOM 0 H CYS A 70 -26.215 -17.419 -14.128 1.00 61.54 H new ATOM 0 HA CYS A 70 -24.591 -18.744 -16.196 1.00 2.24 H new ATOM 0 HB2 CYS A 70 -24.699 -15.977 -14.977 1.00 21.11 H new ATOM 0 HB3 CYS A 70 -23.266 -16.516 -15.829 1.00 21.11 H new ATOM 1090 N ILE A 71 -23.747 -18.188 -13.063 1.00 52.41 N ATOM 1091 CA ILE A 71 -22.807 -18.566 -12.016 1.00 21.43 C ATOM 1092 C ILE A 71 -22.626 -20.080 -11.960 1.00 13.51 C ATOM 1093 O ILE A 71 -21.525 -20.577 -11.724 1.00 42.52 O ATOM 1094 CB ILE A 71 -23.270 -18.065 -10.635 1.00 41.42 C ATOM 1095 CG1 ILE A 71 -23.426 -16.543 -10.648 1.00 15.34 C ATOM 1096 CG2 ILE A 71 -22.284 -18.492 -9.558 1.00 60.32 C ATOM 1097 CD1 ILE A 71 -24.297 -16.016 -9.529 1.00 13.33 C ATOM 0 H ILE A 71 -24.535 -17.627 -12.740 1.00 52.41 H new ATOM 0 HA ILE A 71 -21.855 -18.097 -12.263 1.00 21.43 H new ATOM 0 HB ILE A 71 -24.239 -18.510 -10.409 1.00 41.42 H new ATOM 0 HG12 ILE A 71 -22.440 -16.084 -10.577 1.00 15.34 H new ATOM 0 HG13 ILE A 71 -23.852 -16.238 -11.604 1.00 15.34 H new ATOM 0 HG21 ILE A 71 -22.625 -18.130 -8.588 1.00 60.32 H new ATOM 0 HG22 ILE A 71 -22.217 -19.580 -9.537 1.00 60.32 H new ATOM 0 HG23 ILE A 71 -21.302 -18.072 -9.777 1.00 60.32 H new ATOM 0 HD11 ILE A 71 -24.363 -14.930 -9.600 1.00 13.33 H new ATOM 0 HD12 ILE A 71 -25.295 -16.447 -9.611 1.00 13.33 H new ATOM 0 HD13 ILE A 71 -23.861 -16.291 -8.568 1.00 13.33 H new ATOM 1109 N LYS A 72 -23.715 -20.808 -12.180 1.00 73.21 N ATOM 1110 CA LYS A 72 -23.679 -22.266 -12.158 1.00 44.35 C ATOM 1111 C LYS A 72 -23.229 -22.819 -13.507 1.00 50.31 C ATOM 1112 O LYS A 72 -22.468 -23.784 -13.571 1.00 71.45 O ATOM 1113 CB LYS A 72 -25.057 -22.826 -11.799 1.00 43.24 C ATOM 1114 CG LYS A 72 -25.499 -22.493 -10.385 1.00 1.21 C ATOM 1115 CD LYS A 72 -26.973 -22.798 -10.175 1.00 43.42 C ATOM 1116 CE LYS A 72 -27.535 -22.036 -8.985 1.00 14.01 C ATOM 1117 NZ LYS A 72 -29.024 -22.071 -8.957 1.00 61.51 N ATOM 0 H LYS A 72 -24.634 -20.412 -12.376 1.00 73.21 H new ATOM 0 HA LYS A 72 -22.960 -22.575 -11.400 1.00 44.35 H new ATOM 0 HB2 LYS A 72 -25.793 -22.436 -12.502 1.00 43.24 H new ATOM 0 HB3 LYS A 72 -25.043 -23.909 -11.921 1.00 43.24 H new ATOM 0 HG2 LYS A 72 -24.903 -23.064 -9.673 1.00 1.21 H new ATOM 0 HG3 LYS A 72 -25.312 -21.438 -10.183 1.00 1.21 H new ATOM 0 HD2 LYS A 72 -27.532 -22.536 -11.073 1.00 43.42 H new ATOM 0 HD3 LYS A 72 -27.106 -23.869 -10.019 1.00 43.42 H new ATOM 0 HE2 LYS A 72 -27.144 -22.464 -8.062 1.00 14.01 H new ATOM 0 HE3 LYS A 72 -27.197 -21.001 -9.024 1.00 14.01 H new ATOM 0 HZ1 LYS A 72 -29.368 -21.541 -8.131 1.00 61.51 H new ATOM 0 HZ2 LYS A 72 -29.398 -21.639 -9.826 1.00 61.51 H new ATOM 0 HZ3 LYS A 72 -29.347 -23.058 -8.894 1.00 61.51 H new ATOM 1131 N LYS A 73 -23.703 -22.200 -14.583 1.00 12.31 N ATOM 1132 CA LYS A 73 -23.348 -22.627 -15.931 1.00 34.51 C ATOM 1133 C LYS A 73 -21.841 -22.541 -16.150 1.00 54.33 C ATOM 1134 O LYS A 73 -21.218 -23.489 -16.628 1.00 41.42 O ATOM 1135 CB LYS A 73 -24.076 -21.769 -16.969 1.00 22.45 C ATOM 1136 CG LYS A 73 -25.427 -22.328 -17.381 1.00 23.24 C ATOM 1137 CD LYS A 73 -25.311 -23.222 -18.604 1.00 23.54 C ATOM 1138 CE LYS A 73 -25.153 -24.684 -18.213 1.00 13.15 C ATOM 1139 NZ LYS A 73 -26.350 -25.196 -17.489 1.00 25.34 N ATOM 0 H LYS A 73 -24.335 -21.400 -14.547 1.00 12.31 H new ATOM 0 HA LYS A 73 -23.655 -23.666 -16.049 1.00 34.51 H new ATOM 0 HB2 LYS A 73 -24.215 -20.766 -16.566 1.00 22.45 H new ATOM 0 HB3 LYS A 73 -23.447 -21.673 -17.854 1.00 22.45 H new ATOM 0 HG2 LYS A 73 -25.855 -22.895 -16.554 1.00 23.24 H new ATOM 0 HG3 LYS A 73 -26.112 -21.507 -17.593 1.00 23.24 H new ATOM 0 HD2 LYS A 73 -26.198 -23.105 -19.227 1.00 23.54 H new ATOM 0 HD3 LYS A 73 -24.456 -22.910 -19.204 1.00 23.54 H new ATOM 0 HE2 LYS A 73 -24.986 -25.283 -19.108 1.00 13.15 H new ATOM 0 HE3 LYS A 73 -24.271 -24.798 -17.583 1.00 13.15 H new ATOM 0 HZ1 LYS A 73 -26.441 -26.219 -17.650 1.00 25.34 H new ATOM 0 HZ2 LYS A 73 -26.244 -25.013 -16.471 1.00 25.34 H new ATOM 0 HZ3 LYS A 73 -27.201 -24.713 -17.841 1.00 25.34 H new