USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=10 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= 0.429 K(o=0.68,f=-7.4!) USER MOD Set 1.2: A 51 TYR OH : rot 175:sc= 0.0366 USER MOD Set 1.3: A 58 SER OG : rot -94:sc= 0.219 USER MOD Single : A 17 LYS NZ :NH3+ -163:sc= -0.0626 (180deg=-0.369) 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= -0.812 USER MOD Single : A 25 ASN : amide:sc= -0.927 K(o=-0.93,f=-0.17) USER MOD Single : A 28 HIS : no HD1:sc= -0.236 X(o=-0.24,f=-0.032) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -2.64 K(o=-2.6,f=-1.4) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -0.882 K(o=-0.88,f=-0.048) USER MOD Single : A 47 SER OG : rot 180:sc= -0.276 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -2.6 K(o=-2.6,f=-1.4) USER MOD Single : A 57 THR OG1 : rot -24:sc= 0.216 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= -0.0105 X(o=-0.011,f=-0.17) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0188 USER MOD Single : A 72 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00192) USER MOD Single : A 73 LYS NZ :NH3+ -139:sc= 0.161 (180deg=-0.44) USER MOD ----------------------------------------------------------------- ATOM 238 N LEU A 16 -19.445 -12.451 -11.271 1.00 53.40 N ATOM 239 CA LEU A 16 -20.650 -12.503 -12.092 1.00 13.14 C ATOM 240 C LEU A 16 -21.799 -11.756 -11.421 1.00 4.50 C ATOM 241 O LEU A 16 -22.486 -10.954 -12.054 1.00 71.01 O ATOM 242 CB LEU A 16 -21.054 -13.956 -12.349 1.00 4.15 C ATOM 243 CG LEU A 16 -21.169 -14.371 -13.816 1.00 24.13 C ATOM 244 CD1 LEU A 16 -19.864 -14.105 -14.550 1.00 3.23 C ATOM 245 CD2 LEU A 16 -21.555 -15.839 -13.926 1.00 3.02 C ATOM 0 HA LEU A 16 -20.432 -12.019 -13.044 1.00 13.14 H new ATOM 0 HB2 LEU A 16 -20.325 -14.606 -11.864 1.00 4.15 H new ATOM 0 HB3 LEU A 16 -22.014 -14.136 -11.865 1.00 4.15 H new ATOM 0 HG LEU A 16 -21.952 -13.774 -14.282 1.00 24.13 H new ATOM 0 HD11 LEU A 16 -19.965 -14.407 -15.593 1.00 3.23 H new ATOM 0 HD12 LEU A 16 -19.629 -13.042 -14.501 1.00 3.23 H new ATOM 0 HD13 LEU A 16 -19.061 -14.676 -14.083 1.00 3.23 H new ATOM 0 HD21 LEU A 16 -21.632 -16.117 -14.977 1.00 3.02 H new ATOM 0 HD22 LEU A 16 -20.794 -16.452 -13.443 1.00 3.02 H new ATOM 0 HD23 LEU A 16 -22.515 -16.000 -13.436 1.00 3.02 H new ATOM 257 N LYS A 17 -22.000 -12.022 -10.135 1.00 3.42 N ATOM 258 CA LYS A 17 -23.062 -11.373 -9.376 1.00 1.53 C ATOM 259 C LYS A 17 -22.949 -9.854 -9.471 1.00 73.33 C ATOM 260 O LYS A 17 -23.957 -9.147 -9.493 1.00 4.31 O ATOM 261 CB LYS A 17 -23.008 -11.807 -7.909 1.00 62.34 C ATOM 262 CG LYS A 17 -23.016 -13.314 -7.721 1.00 70.41 C ATOM 263 CD LYS A 17 -24.289 -13.784 -7.037 1.00 60.01 C ATOM 264 CE LYS A 17 -24.376 -13.270 -5.608 1.00 62.51 C ATOM 265 NZ LYS A 17 -23.243 -13.758 -4.773 1.00 72.55 N ATOM 0 H LYS A 17 -21.441 -12.683 -9.596 1.00 3.42 H new ATOM 0 HA LYS A 17 -24.017 -11.677 -9.804 1.00 1.53 H new ATOM 0 HB2 LYS A 17 -22.109 -11.397 -7.450 1.00 62.34 H new ATOM 0 HB3 LYS A 17 -23.859 -11.379 -7.380 1.00 62.34 H new ATOM 0 HG2 LYS A 17 -22.921 -13.803 -8.691 1.00 70.41 H new ATOM 0 HG3 LYS A 17 -22.152 -13.612 -7.128 1.00 70.41 H new ATOM 0 HD2 LYS A 17 -25.155 -13.440 -7.602 1.00 60.01 H new ATOM 0 HD3 LYS A 17 -24.322 -14.874 -7.036 1.00 60.01 H new ATOM 0 HE2 LYS A 17 -24.380 -12.180 -5.614 1.00 62.51 H new ATOM 0 HE3 LYS A 17 -25.319 -13.590 -5.164 1.00 62.51 H new ATOM 0 HZ1 LYS A 17 -23.476 -13.638 -3.767 1.00 72.55 H new ATOM 0 HZ2 LYS A 17 -23.074 -14.765 -4.971 1.00 72.55 H new ATOM 0 HZ3 LYS A 17 -22.386 -13.213 -4.997 1.00 72.55 H new ATOM 279 N LYS A 18 -21.718 -9.360 -9.530 1.00 4.54 N ATOM 280 CA LYS A 18 -21.472 -7.925 -9.626 1.00 34.41 C ATOM 281 C LYS A 18 -21.654 -7.437 -11.060 1.00 32.44 C ATOM 282 O LYS A 18 -22.112 -6.318 -11.292 1.00 11.32 O ATOM 283 CB LYS A 18 -20.060 -7.595 -9.139 1.00 1.24 C ATOM 284 CG LYS A 18 -19.993 -7.238 -7.664 1.00 32.23 C ATOM 285 CD LYS A 18 -19.578 -8.432 -6.820 1.00 1.53 C ATOM 286 CE LYS A 18 -20.767 -9.043 -6.095 1.00 55.05 C ATOM 287 NZ LYS A 18 -20.347 -9.829 -4.903 1.00 25.21 N ATOM 0 H LYS A 18 -20.874 -9.932 -9.513 1.00 4.54 H new ATOM 0 HA LYS A 18 -22.197 -7.414 -8.992 1.00 34.41 H new ATOM 0 HB2 LYS A 18 -19.411 -8.450 -9.327 1.00 1.24 H new ATOM 0 HB3 LYS A 18 -19.668 -6.763 -9.724 1.00 1.24 H new ATOM 0 HG2 LYS A 18 -19.284 -6.424 -7.518 1.00 32.23 H new ATOM 0 HG3 LYS A 18 -20.966 -6.877 -7.331 1.00 32.23 H new ATOM 0 HD2 LYS A 18 -19.113 -9.185 -7.457 1.00 1.53 H new ATOM 0 HD3 LYS A 18 -18.828 -8.122 -6.093 1.00 1.53 H new ATOM 0 HE2 LYS A 18 -21.449 -8.251 -5.786 1.00 55.05 H new ATOM 0 HE3 LYS A 18 -21.317 -9.688 -6.780 1.00 55.05 H new ATOM 0 HZ1 LYS A 18 -21.187 -10.229 -4.437 1.00 25.21 H new ATOM 0 HZ2 LYS A 18 -19.716 -10.600 -5.201 1.00 25.21 H new ATOM 0 HZ3 LYS A 18 -19.844 -9.208 -4.237 1.00 25.21 H new ATOM 301 N LEU A 19 -21.294 -8.284 -12.018 1.00 33.11 N ATOM 302 CA LEU A 19 -21.419 -7.939 -13.430 1.00 33.41 C ATOM 303 C LEU A 19 -22.847 -7.519 -13.764 1.00 31.34 C ATOM 304 O LEU A 19 -23.076 -6.441 -14.312 1.00 32.13 O ATOM 305 CB LEU A 19 -21.007 -9.126 -14.303 1.00 53.11 C ATOM 306 CG LEU A 19 -19.567 -9.114 -14.816 1.00 1.21 C ATOM 307 CD1 LEU A 19 -19.112 -10.523 -15.162 1.00 43.14 C ATOM 308 CD2 LEU A 19 -19.439 -8.198 -16.024 1.00 44.42 C ATOM 0 H LEU A 19 -20.913 -9.214 -11.843 1.00 33.11 H new ATOM 0 HA LEU A 19 -20.756 -7.098 -13.633 1.00 33.41 H new ATOM 0 HB2 LEU A 19 -21.160 -10.042 -13.732 1.00 53.11 H new ATOM 0 HB3 LEU A 19 -21.677 -9.170 -15.162 1.00 53.11 H new ATOM 0 HG LEU A 19 -18.923 -8.731 -14.025 1.00 1.21 H new ATOM 0 HD11 LEU A 19 -18.085 -10.495 -15.525 1.00 43.14 H new ATOM 0 HD12 LEU A 19 -19.165 -11.151 -14.273 1.00 43.14 H new ATOM 0 HD13 LEU A 19 -19.760 -10.935 -15.936 1.00 43.14 H new ATOM 0 HD21 LEU A 19 -18.407 -8.202 -16.376 1.00 44.42 H new ATOM 0 HD22 LEU A 19 -20.095 -8.551 -16.820 1.00 44.42 H new ATOM 0 HD23 LEU A 19 -19.723 -7.184 -15.743 1.00 44.42 H new ATOM 320 N VAL A 20 -23.805 -8.377 -13.427 1.00 60.52 N ATOM 321 CA VAL A 20 -25.211 -8.094 -13.688 1.00 32.31 C ATOM 322 C VAL A 20 -25.615 -6.742 -13.112 1.00 14.12 C ATOM 323 O VAL A 20 -26.532 -6.091 -13.614 1.00 1.35 O ATOM 324 CB VAL A 20 -26.123 -9.185 -13.095 1.00 63.44 C ATOM 325 CG1 VAL A 20 -26.123 -9.114 -11.576 1.00 21.20 C ATOM 326 CG2 VAL A 20 -27.536 -9.054 -13.644 1.00 24.24 C ATOM 0 H VAL A 20 -23.633 -9.274 -12.973 1.00 60.52 H new ATOM 0 HA VAL A 20 -25.335 -8.077 -14.771 1.00 32.31 H new ATOM 0 HB VAL A 20 -25.733 -10.160 -13.388 1.00 63.44 H new ATOM 0 HG11 VAL A 20 -26.773 -9.892 -11.175 1.00 21.20 H new ATOM 0 HG12 VAL A 20 -25.109 -9.261 -11.205 1.00 21.20 H new ATOM 0 HG13 VAL A 20 -26.488 -8.137 -11.257 1.00 21.20 H new ATOM 0 HG21 VAL A 20 -28.167 -9.832 -13.215 1.00 24.24 H new ATOM 0 HG22 VAL A 20 -27.939 -8.075 -13.383 1.00 24.24 H new ATOM 0 HG23 VAL A 20 -27.516 -9.160 -14.729 1.00 24.24 H new ATOM 336 N ASP A 21 -24.925 -6.325 -12.056 1.00 14.10 N ATOM 337 CA ASP A 21 -25.211 -5.048 -11.412 1.00 31.24 C ATOM 338 C ASP A 21 -24.570 -3.896 -12.180 1.00 32.44 C ATOM 339 O ASP A 21 -25.121 -2.797 -12.246 1.00 73.54 O ATOM 340 CB ASP A 21 -24.707 -5.058 -9.968 1.00 12.45 C ATOM 341 CG ASP A 21 -25.462 -4.083 -9.085 1.00 30.34 C ATOM 342 OD1 ASP A 21 -26.682 -3.918 -9.292 1.00 71.10 O ATOM 343 OD2 ASP A 21 -24.832 -3.485 -8.187 1.00 34.32 O ATOM 0 H ASP A 21 -24.164 -6.852 -11.628 1.00 14.10 H new ATOM 0 HA ASP A 21 -26.291 -4.903 -11.411 1.00 31.24 H new ATOM 0 HB2 ASP A 21 -24.804 -6.064 -9.559 1.00 12.45 H new ATOM 0 HB3 ASP A 21 -23.646 -4.809 -9.955 1.00 12.45 H new ATOM 348 N LYS A 22 -23.402 -4.155 -12.757 1.00 41.14 N ATOM 349 CA LYS A 22 -22.685 -3.141 -13.521 1.00 64.02 C ATOM 350 C LYS A 22 -23.110 -3.161 -14.986 1.00 63.40 C ATOM 351 O LYS A 22 -22.500 -2.502 -15.828 1.00 60.25 O ATOM 352 CB LYS A 22 -21.175 -3.366 -13.414 1.00 43.22 C ATOM 353 CG LYS A 22 -20.662 -3.384 -11.984 1.00 73.34 C ATOM 354 CD LYS A 22 -20.926 -2.064 -11.280 1.00 50.14 C ATOM 355 CE LYS A 22 -19.832 -1.741 -10.274 1.00 52.41 C ATOM 356 NZ LYS A 22 -18.830 -0.790 -10.830 1.00 61.25 N ATOM 0 H LYS A 22 -22.931 -5.059 -12.710 1.00 41.14 H new ATOM 0 HA LYS A 22 -22.932 -2.165 -13.103 1.00 64.02 H new ATOM 0 HB2 LYS A 22 -20.922 -4.312 -13.894 1.00 43.22 H new ATOM 0 HB3 LYS A 22 -20.659 -2.581 -13.966 1.00 43.22 H new ATOM 0 HG2 LYS A 22 -21.143 -4.193 -11.434 1.00 73.34 H new ATOM 0 HG3 LYS A 22 -19.592 -3.590 -11.983 1.00 73.34 H new ATOM 0 HD2 LYS A 22 -20.992 -1.264 -12.017 1.00 50.14 H new ATOM 0 HD3 LYS A 22 -21.889 -2.108 -10.771 1.00 50.14 H new ATOM 0 HE2 LYS A 22 -20.279 -1.314 -9.376 1.00 52.41 H new ATOM 0 HE3 LYS A 22 -19.331 -2.662 -9.974 1.00 52.41 H new ATOM 0 HZ1 LYS A 22 -18.101 -0.595 -10.114 1.00 61.25 H new ATOM 0 HZ2 LYS A 22 -18.385 -1.208 -11.672 1.00 61.25 H new ATOM 0 HZ3 LYS A 22 -19.303 0.098 -11.093 1.00 61.25 H new ATOM 370 N TYR A 23 -24.159 -3.920 -15.282 1.00 61.22 N ATOM 371 CA TYR A 23 -24.665 -4.027 -16.646 1.00 3.34 C ATOM 372 C TYR A 23 -25.095 -2.662 -17.175 1.00 64.12 C ATOM 373 O TYR A 23 -24.789 -2.301 -18.312 1.00 12.42 O ATOM 374 CB TYR A 23 -25.842 -5.002 -16.700 1.00 51.54 C ATOM 375 CG TYR A 23 -26.275 -5.350 -18.107 1.00 10.43 C ATOM 376 CD1 TYR A 23 -27.001 -4.448 -18.874 1.00 55.15 C ATOM 377 CD2 TYR A 23 -25.957 -6.580 -18.668 1.00 24.20 C ATOM 378 CE1 TYR A 23 -27.400 -4.762 -20.159 1.00 63.13 C ATOM 379 CE2 TYR A 23 -26.349 -6.902 -19.953 1.00 33.53 C ATOM 380 CZ TYR A 23 -27.071 -5.990 -20.694 1.00 70.41 C ATOM 381 OH TYR A 23 -27.465 -6.307 -21.974 1.00 44.32 O ATOM 0 H TYR A 23 -24.676 -4.470 -14.596 1.00 61.22 H new ATOM 0 HA TYR A 23 -23.861 -4.404 -17.277 1.00 3.34 H new ATOM 0 HB2 TYR A 23 -25.569 -5.918 -16.176 1.00 51.54 H new ATOM 0 HB3 TYR A 23 -26.687 -4.568 -16.165 1.00 51.54 H new ATOM 0 HD1 TYR A 23 -27.258 -3.485 -18.459 1.00 55.15 H new ATOM 0 HD2 TYR A 23 -25.393 -7.297 -18.090 1.00 24.20 H new ATOM 0 HE1 TYR A 23 -27.966 -4.050 -20.741 1.00 63.13 H new ATOM 0 HE2 TYR A 23 -26.092 -7.862 -20.375 1.00 33.53 H new ATOM 0 HH TYR A 23 -27.152 -7.208 -22.199 1.00 44.32 H new ATOM 391 N ARG A 24 -25.805 -1.908 -16.342 1.00 60.44 N ATOM 392 CA ARG A 24 -26.278 -0.584 -16.725 1.00 51.35 C ATOM 393 C ARG A 24 -25.269 0.490 -16.329 1.00 21.22 C ATOM 394 O ARG A 24 -25.577 1.681 -16.343 1.00 62.32 O ATOM 395 CB ARG A 24 -27.631 -0.293 -16.073 1.00 22.44 C ATOM 396 CG ARG A 24 -28.783 -1.072 -16.686 1.00 22.42 C ATOM 397 CD ARG A 24 -29.032 -2.376 -15.943 1.00 42.20 C ATOM 398 NE ARG A 24 -30.280 -3.011 -16.356 1.00 60.54 N ATOM 399 CZ ARG A 24 -30.923 -3.913 -15.623 1.00 73.23 C ATOM 400 NH1 ARG A 24 -30.439 -4.283 -14.446 1.00 1.02 N ATOM 401 NH2 ARG A 24 -32.054 -4.447 -16.068 1.00 12.35 N ATOM 0 H ARG A 24 -26.065 -2.192 -15.397 1.00 60.44 H new ATOM 0 HA ARG A 24 -26.394 -0.567 -17.809 1.00 51.35 H new ATOM 0 HB2 ARG A 24 -27.570 -0.527 -15.010 1.00 22.44 H new ATOM 0 HB3 ARG A 24 -27.841 0.773 -16.153 1.00 22.44 H new ATOM 0 HG2 ARG A 24 -29.687 -0.463 -16.667 1.00 22.42 H new ATOM 0 HG3 ARG A 24 -28.564 -1.284 -17.732 1.00 22.42 H new ATOM 0 HD2 ARG A 24 -28.201 -3.059 -16.121 1.00 42.20 H new ATOM 0 HD3 ARG A 24 -29.061 -2.182 -14.871 1.00 42.20 H new ATOM 0 HE ARG A 24 -30.680 -2.748 -17.257 1.00 60.54 H new ATOM 0 HH11 ARG A 24 -29.570 -3.875 -14.101 1.00 1.02 H new ATOM 0 HH12 ARG A 24 -30.935 -4.976 -13.886 1.00 1.02 H new ATOM 0 HH21 ARG A 24 -32.430 -4.165 -16.973 1.00 12.35 H new ATOM 0 HH22 ARG A 24 -32.547 -5.140 -15.505 1.00 12.35 H new ATOM 415 N ASN A 25 -24.063 0.059 -15.974 1.00 64.44 N ATOM 416 CA ASN A 25 -23.008 0.983 -15.573 1.00 32.44 C ATOM 417 C ASN A 25 -21.959 1.122 -16.672 1.00 12.14 C ATOM 418 O ASN A 25 -21.477 2.221 -16.948 1.00 21.42 O ATOM 419 CB ASN A 25 -22.347 0.503 -14.279 1.00 11.22 C ATOM 420 CG ASN A 25 -23.210 0.760 -13.059 1.00 13.23 C ATOM 421 OD1 ASN A 25 -22.993 1.723 -12.322 1.00 60.44 O ATOM 422 ND2 ASN A 25 -24.196 -0.102 -12.839 1.00 60.22 N ATOM 0 H ASN A 25 -23.792 -0.924 -15.956 1.00 64.44 H new ATOM 0 HA ASN A 25 -23.460 1.960 -15.402 1.00 32.44 H new ATOM 0 HB2 ASN A 25 -22.139 -0.564 -14.355 1.00 11.22 H new ATOM 0 HB3 ASN A 25 -21.388 1.007 -14.155 1.00 11.22 H new ATOM 0 HD21 ASN A 25 -24.810 0.020 -12.033 1.00 60.22 H new ATOM 0 HD22 ASN A 25 -24.340 -0.886 -13.476 1.00 60.22 H new ATOM 429 N ASP A 26 -21.611 0.002 -17.295 1.00 73.11 N ATOM 430 CA ASP A 26 -20.621 -0.001 -18.365 1.00 63.44 C ATOM 431 C ASP A 26 -21.158 -0.716 -19.601 1.00 74.22 C ATOM 432 O ASP A 26 -21.641 -1.845 -19.516 1.00 3.13 O ATOM 433 CB ASP A 26 -19.331 -0.674 -17.893 1.00 44.51 C ATOM 434 CG ASP A 26 -18.408 0.288 -17.170 1.00 33.24 C ATOM 435 OD1 ASP A 26 -17.773 1.123 -17.847 1.00 21.44 O ATOM 436 OD2 ASP A 26 -18.321 0.205 -15.926 1.00 72.23 O ATOM 0 H ASP A 26 -22.000 -0.916 -17.077 1.00 73.11 H new ATOM 0 HA ASP A 26 -20.407 1.034 -18.630 1.00 63.44 H new ATOM 0 HB2 ASP A 26 -19.579 -1.503 -17.230 1.00 44.51 H new ATOM 0 HB3 ASP A 26 -18.810 -1.097 -18.752 1.00 44.51 H new ATOM 441 N GLU A 27 -21.072 -0.050 -20.748 1.00 55.23 N ATOM 442 CA GLU A 27 -21.552 -0.622 -22.001 1.00 15.41 C ATOM 443 C GLU A 27 -20.766 -1.879 -22.362 1.00 14.14 C ATOM 444 O GLU A 27 -21.301 -2.805 -22.972 1.00 32.44 O ATOM 445 CB GLU A 27 -21.442 0.404 -23.131 1.00 21.00 C ATOM 446 CG GLU A 27 -20.025 0.590 -23.648 1.00 11.04 C ATOM 447 CD GLU A 27 -19.079 1.109 -22.582 1.00 52.22 C ATOM 448 OE1 GLU A 27 -19.385 2.159 -21.979 1.00 33.15 O ATOM 449 OE2 GLU A 27 -18.033 0.467 -22.352 1.00 74.23 O ATOM 0 H GLU A 27 -20.675 0.885 -20.836 1.00 55.23 H new ATOM 0 HA GLU A 27 -22.599 -0.895 -21.868 1.00 15.41 H new ATOM 0 HB2 GLU A 27 -22.083 0.093 -23.956 1.00 21.00 H new ATOM 0 HB3 GLU A 27 -21.820 1.363 -22.777 1.00 21.00 H new ATOM 0 HG2 GLU A 27 -19.653 -0.362 -24.027 1.00 11.04 H new ATOM 0 HG3 GLU A 27 -20.037 1.285 -24.488 1.00 11.04 H new ATOM 456 N HIS A 28 -19.493 -1.903 -21.981 1.00 32.35 N ATOM 457 CA HIS A 28 -18.632 -3.046 -22.263 1.00 73.43 C ATOM 458 C HIS A 28 -19.127 -4.292 -21.535 1.00 72.53 C ATOM 459 O HIS A 28 -18.948 -5.414 -22.011 1.00 12.14 O ATOM 460 CB HIS A 28 -17.192 -2.740 -21.853 1.00 65.42 C ATOM 461 CG HIS A 28 -16.389 -2.080 -22.932 1.00 13.54 C ATOM 462 ND1 HIS A 28 -15.034 -1.848 -22.827 1.00 11.44 N ATOM 463 CD2 HIS A 28 -16.758 -1.602 -24.143 1.00 55.30 C ATOM 464 CE1 HIS A 28 -14.605 -1.254 -23.926 1.00 23.20 C ATOM 465 NE2 HIS A 28 -15.632 -1.094 -24.741 1.00 45.12 N ATOM 0 H HIS A 28 -19.035 -1.144 -21.476 1.00 32.35 H new ATOM 0 HA HIS A 28 -18.663 -3.237 -23.336 1.00 73.43 H new ATOM 0 HB2 HIS A 28 -17.202 -2.096 -20.974 1.00 65.42 H new ATOM 0 HB3 HIS A 28 -16.701 -3.668 -21.562 1.00 65.42 H new ATOM 0 HD2 HIS A 28 -17.754 -1.617 -24.561 1.00 55.30 H new ATOM 0 HE1 HIS A 28 -13.588 -0.951 -24.124 1.00 23.20 H new ATOM 0 HE2 HIS A 28 -15.594 -0.663 -25.665 1.00 45.12 H new ATOM 474 N VAL A 29 -19.750 -4.088 -20.379 1.00 21.32 N ATOM 475 CA VAL A 29 -20.271 -5.195 -19.585 1.00 40.12 C ATOM 476 C VAL A 29 -21.502 -5.810 -20.242 1.00 24.33 C ATOM 477 O VAL A 29 -21.729 -7.017 -20.149 1.00 51.32 O ATOM 478 CB VAL A 29 -20.636 -4.740 -18.160 1.00 34.03 C ATOM 479 CG1 VAL A 29 -21.213 -5.899 -17.361 1.00 14.32 C ATOM 480 CG2 VAL A 29 -19.420 -4.153 -17.460 1.00 51.41 C ATOM 0 H VAL A 29 -19.906 -3.166 -19.971 1.00 21.32 H new ATOM 0 HA VAL A 29 -19.481 -5.944 -19.528 1.00 40.12 H new ATOM 0 HB VAL A 29 -21.397 -3.963 -18.229 1.00 34.03 H new ATOM 0 HG11 VAL A 29 -21.465 -5.559 -16.357 1.00 14.32 H new ATOM 0 HG12 VAL A 29 -22.111 -6.270 -17.855 1.00 14.32 H new ATOM 0 HG13 VAL A 29 -20.477 -6.700 -17.298 1.00 14.32 H new ATOM 0 HG21 VAL A 29 -19.697 -3.837 -16.454 1.00 51.41 H new ATOM 0 HG22 VAL A 29 -18.635 -4.907 -17.400 1.00 51.41 H new ATOM 0 HG23 VAL A 29 -19.056 -3.294 -18.023 1.00 51.41 H new ATOM 490 N ARG A 30 -22.292 -4.973 -20.905 1.00 73.44 N ATOM 491 CA ARG A 30 -23.501 -5.435 -21.577 1.00 60.03 C ATOM 492 C ARG A 30 -23.158 -6.390 -22.717 1.00 54.11 C ATOM 493 O ARG A 30 -23.662 -7.512 -22.774 1.00 61.03 O ATOM 494 CB ARG A 30 -24.297 -4.245 -22.117 1.00 5.24 C ATOM 495 CG ARG A 30 -24.613 -3.196 -21.063 1.00 32.21 C ATOM 496 CD ARG A 30 -25.788 -2.325 -21.480 1.00 4.34 C ATOM 497 NE ARG A 30 -25.373 -1.226 -22.348 1.00 60.33 N ATOM 498 CZ ARG A 30 -26.215 -0.332 -22.855 1.00 63.54 C ATOM 499 NH1 ARG A 30 -27.510 -0.407 -22.581 1.00 42.54 N ATOM 500 NH2 ARG A 30 -25.761 0.638 -23.638 1.00 12.40 N ATOM 0 H ARG A 30 -22.117 -3.972 -20.992 1.00 73.44 H new ATOM 0 HA ARG A 30 -24.110 -5.970 -20.848 1.00 60.03 H new ATOM 0 HB2 ARG A 30 -23.734 -3.778 -22.925 1.00 5.24 H new ATOM 0 HB3 ARG A 30 -25.230 -4.608 -22.548 1.00 5.24 H new ATOM 0 HG2 ARG A 30 -24.840 -3.686 -20.116 1.00 32.21 H new ATOM 0 HG3 ARG A 30 -23.736 -2.571 -20.896 1.00 32.21 H new ATOM 0 HD2 ARG A 30 -26.527 -2.937 -21.998 1.00 4.34 H new ATOM 0 HD3 ARG A 30 -26.274 -1.922 -20.591 1.00 4.34 H new ATOM 0 HE ARG A 30 -24.383 -1.140 -22.577 1.00 60.33 H new ATOM 0 HH11 ARG A 30 -27.862 -1.152 -21.980 1.00 42.54 H new ATOM 0 HH12 ARG A 30 -28.155 0.280 -22.971 1.00 42.54 H new ATOM 0 HH21 ARG A 30 -24.765 0.698 -23.851 1.00 12.40 H new ATOM 0 HH22 ARG A 30 -26.408 1.324 -24.027 1.00 12.40 H new ATOM 514 N LYS A 31 -22.299 -5.937 -23.623 1.00 41.25 N ATOM 515 CA LYS A 31 -21.887 -6.750 -24.762 1.00 14.41 C ATOM 516 C LYS A 31 -21.214 -8.037 -24.296 1.00 41.45 C ATOM 517 O LYS A 31 -21.360 -9.087 -24.922 1.00 41.21 O ATOM 518 CB LYS A 31 -20.934 -5.959 -25.661 1.00 73.12 C ATOM 519 CG LYS A 31 -19.534 -5.820 -25.090 1.00 1.13 C ATOM 520 CD LYS A 31 -18.610 -5.089 -26.050 1.00 20.53 C ATOM 521 CE LYS A 31 -17.155 -5.206 -25.620 1.00 54.15 C ATOM 522 NZ LYS A 31 -16.240 -4.516 -26.571 1.00 2.12 N ATOM 0 H LYS A 31 -21.874 -5.010 -23.591 1.00 41.25 H new ATOM 0 HA LYS A 31 -22.779 -7.013 -25.331 1.00 14.41 H new ATOM 0 HB2 LYS A 31 -20.874 -6.449 -26.633 1.00 73.12 H new ATOM 0 HB3 LYS A 31 -21.349 -4.965 -25.830 1.00 73.12 H new ATOM 0 HG2 LYS A 31 -19.578 -5.280 -24.144 1.00 1.13 H new ATOM 0 HG3 LYS A 31 -19.128 -6.808 -24.875 1.00 1.13 H new ATOM 0 HD2 LYS A 31 -18.728 -5.498 -27.053 1.00 20.53 H new ATOM 0 HD3 LYS A 31 -18.893 -4.037 -26.099 1.00 20.53 H new ATOM 0 HE2 LYS A 31 -17.035 -4.778 -24.625 1.00 54.15 H new ATOM 0 HE3 LYS A 31 -16.880 -6.258 -25.550 1.00 54.15 H new ATOM 0 HZ1 LYS A 31 -15.258 -4.618 -26.244 1.00 2.12 H new ATOM 0 HZ2 LYS A 31 -16.336 -4.941 -27.515 1.00 2.12 H new ATOM 0 HZ3 LYS A 31 -16.486 -3.507 -26.619 1.00 2.12 H new ATOM 536 N VAL A 32 -20.477 -7.948 -23.194 1.00 30.33 N ATOM 537 CA VAL A 32 -19.783 -9.106 -22.643 1.00 33.40 C ATOM 538 C VAL A 32 -20.767 -10.091 -22.020 1.00 64.23 C ATOM 539 O VAL A 32 -20.802 -11.266 -22.387 1.00 42.14 O ATOM 540 CB VAL A 32 -18.750 -8.689 -21.580 1.00 42.42 C ATOM 541 CG1 VAL A 32 -18.237 -9.906 -20.826 1.00 12.11 C ATOM 542 CG2 VAL A 32 -17.601 -7.928 -22.225 1.00 0.11 C ATOM 0 H VAL A 32 -20.345 -7.086 -22.665 1.00 30.33 H new ATOM 0 HA VAL A 32 -19.265 -9.588 -23.472 1.00 33.40 H new ATOM 0 HB VAL A 32 -19.238 -8.028 -20.864 1.00 42.42 H new ATOM 0 HG11 VAL A 32 -17.508 -9.591 -20.079 1.00 12.11 H new ATOM 0 HG12 VAL A 32 -19.070 -10.406 -20.332 1.00 12.11 H new ATOM 0 HG13 VAL A 32 -17.765 -10.595 -21.526 1.00 12.11 H new ATOM 0 HG21 VAL A 32 -16.880 -7.641 -21.460 1.00 0.11 H new ATOM 0 HG22 VAL A 32 -17.113 -8.564 -22.963 1.00 0.11 H new ATOM 0 HG23 VAL A 32 -17.986 -7.034 -22.715 1.00 0.11 H new ATOM 552 N PHE A 33 -21.565 -9.604 -21.076 1.00 22.51 N ATOM 553 CA PHE A 33 -22.550 -10.442 -20.401 1.00 5.11 C ATOM 554 C PHE A 33 -23.587 -10.966 -21.390 1.00 23.33 C ATOM 555 O PHE A 33 -24.189 -12.018 -21.175 1.00 22.44 O ATOM 556 CB PHE A 33 -23.243 -9.654 -19.287 1.00 64.13 C ATOM 557 CG PHE A 33 -23.479 -10.459 -18.041 1.00 43.13 C ATOM 558 CD1 PHE A 33 -22.459 -10.655 -17.124 1.00 11.44 C ATOM 559 CD2 PHE A 33 -24.720 -11.019 -17.787 1.00 71.34 C ATOM 560 CE1 PHE A 33 -22.674 -11.395 -15.977 1.00 24.42 C ATOM 561 CE2 PHE A 33 -24.941 -11.761 -16.642 1.00 4.21 C ATOM 562 CZ PHE A 33 -23.916 -11.948 -15.735 1.00 31.10 C ATOM 0 H PHE A 33 -21.549 -8.634 -20.761 1.00 22.51 H new ATOM 0 HA PHE A 33 -22.028 -11.293 -19.964 1.00 5.11 H new ATOM 0 HB2 PHE A 33 -22.637 -8.783 -19.038 1.00 64.13 H new ATOM 0 HB3 PHE A 33 -24.199 -9.282 -19.656 1.00 64.13 H new ATOM 0 HD1 PHE A 33 -21.486 -10.225 -17.308 1.00 11.44 H new ATOM 0 HD2 PHE A 33 -25.525 -10.874 -18.492 1.00 71.34 H new ATOM 0 HE1 PHE A 33 -21.871 -11.541 -15.270 1.00 24.42 H new ATOM 0 HE2 PHE A 33 -25.913 -12.194 -16.457 1.00 4.21 H new ATOM 0 HZ PHE A 33 -24.086 -12.526 -14.838 1.00 31.10 H new ATOM 572 N ASP A 34 -23.790 -10.225 -22.473 1.00 51.01 N ATOM 573 CA ASP A 34 -24.754 -10.614 -23.496 1.00 62.20 C ATOM 574 C ASP A 34 -24.255 -11.824 -24.280 1.00 33.32 C ATOM 575 O ASP A 34 -24.988 -12.793 -24.476 1.00 55.22 O ATOM 576 CB ASP A 34 -25.018 -9.447 -24.449 1.00 24.22 C ATOM 577 CG ASP A 34 -25.670 -9.893 -25.743 1.00 1.51 C ATOM 578 OD1 ASP A 34 -24.952 -10.419 -26.618 1.00 42.34 O ATOM 579 OD2 ASP A 34 -26.898 -9.714 -25.881 1.00 34.14 O ATOM 0 H ASP A 34 -23.300 -9.351 -22.666 1.00 51.01 H new ATOM 0 HA ASP A 34 -25.685 -10.884 -22.999 1.00 62.20 H new ATOM 0 HB2 ASP A 34 -25.659 -8.716 -23.955 1.00 24.22 H new ATOM 0 HB3 ASP A 34 -24.077 -8.945 -24.674 1.00 24.22 H new ATOM 584 N GLU A 35 -23.005 -11.760 -24.726 1.00 24.13 N ATOM 585 CA GLU A 35 -22.410 -12.850 -25.490 1.00 22.42 C ATOM 586 C GLU A 35 -22.234 -14.092 -24.620 1.00 1.31 C ATOM 587 O GLU A 35 -22.440 -15.217 -25.076 1.00 51.45 O ATOM 588 CB GLU A 35 -21.058 -12.422 -26.065 1.00 53.41 C ATOM 589 CG GLU A 35 -21.174 -11.515 -27.279 1.00 5.54 C ATOM 590 CD GLU A 35 -21.289 -12.289 -28.577 1.00 62.11 C ATOM 591 OE1 GLU A 35 -20.255 -12.795 -29.061 1.00 3.03 O ATOM 592 OE2 GLU A 35 -22.414 -12.389 -29.109 1.00 72.34 O ATOM 0 H GLU A 35 -22.385 -10.965 -24.572 1.00 24.13 H new ATOM 0 HA GLU A 35 -23.085 -13.094 -26.310 1.00 22.42 H new ATOM 0 HB2 GLU A 35 -20.489 -11.908 -25.290 1.00 53.41 H new ATOM 0 HB3 GLU A 35 -20.491 -13.312 -26.339 1.00 53.41 H new ATOM 0 HG2 GLU A 35 -22.047 -10.872 -27.165 1.00 5.54 H new ATOM 0 HG3 GLU A 35 -20.302 -10.863 -27.325 1.00 5.54 H new ATOM 599 N ILE A 36 -21.851 -13.878 -23.366 1.00 31.45 N ATOM 600 CA ILE A 36 -21.648 -14.979 -22.432 1.00 22.12 C ATOM 601 C ILE A 36 -22.974 -15.628 -22.050 1.00 1.01 C ATOM 602 O ILE A 36 -23.048 -16.841 -21.853 1.00 52.44 O ATOM 603 CB ILE A 36 -20.933 -14.507 -21.152 1.00 1.10 C ATOM 604 CG1 ILE A 36 -19.575 -13.893 -21.497 1.00 43.14 C ATOM 605 CG2 ILE A 36 -20.765 -15.666 -20.181 1.00 2.11 C ATOM 606 CD1 ILE A 36 -19.001 -13.035 -20.392 1.00 2.32 C ATOM 0 H ILE A 36 -21.675 -12.953 -22.973 1.00 31.45 H new ATOM 0 HA ILE A 36 -21.021 -15.712 -22.940 1.00 22.12 H new ATOM 0 HB ILE A 36 -21.545 -13.743 -20.673 1.00 1.10 H new ATOM 0 HG12 ILE A 36 -18.872 -14.693 -21.727 1.00 43.14 H new ATOM 0 HG13 ILE A 36 -19.677 -13.289 -22.399 1.00 43.14 H new ATOM 0 HG21 ILE A 36 -20.258 -15.317 -19.282 1.00 2.11 H new ATOM 0 HG22 ILE A 36 -21.745 -16.062 -19.915 1.00 2.11 H new ATOM 0 HG23 ILE A 36 -20.172 -16.451 -20.650 1.00 2.11 H new ATOM 0 HD11 ILE A 36 -18.038 -12.633 -20.707 1.00 2.32 H new ATOM 0 HD12 ILE A 36 -19.684 -12.213 -20.177 1.00 2.32 H new ATOM 0 HD13 ILE A 36 -18.866 -13.639 -19.495 1.00 2.32 H new ATOM 618 N GLN A 37 -24.018 -14.812 -21.948 1.00 72.15 N ATOM 619 CA GLN A 37 -25.342 -15.308 -21.591 1.00 52.53 C ATOM 620 C GLN A 37 -25.897 -16.214 -22.685 1.00 34.22 C ATOM 621 O GLN A 37 -26.545 -17.221 -22.399 1.00 23.10 O ATOM 622 CB GLN A 37 -26.298 -14.139 -21.347 1.00 54.21 C ATOM 623 CG GLN A 37 -26.305 -13.649 -19.908 1.00 53.11 C ATOM 624 CD GLN A 37 -27.095 -12.367 -19.732 1.00 11.12 C ATOM 625 OE1 GLN A 37 -27.977 -12.280 -18.877 1.00 31.20 O ATOM 626 NE2 GLN A 37 -26.782 -11.362 -20.542 1.00 21.24 N ATOM 0 H GLN A 37 -23.973 -13.806 -22.107 1.00 72.15 H new ATOM 0 HA GLN A 37 -25.250 -15.891 -20.674 1.00 52.53 H new ATOM 0 HB2 GLN A 37 -26.023 -13.313 -22.002 1.00 54.21 H new ATOM 0 HB3 GLN A 37 -27.308 -14.442 -21.624 1.00 54.21 H new ATOM 0 HG2 GLN A 37 -26.728 -14.423 -19.267 1.00 53.11 H new ATOM 0 HG3 GLN A 37 -25.279 -13.487 -19.578 1.00 53.11 H new ATOM 0 HE21 GLN A 37 -26.044 -11.478 -21.236 1.00 21.24 H new ATOM 0 HE22 GLN A 37 -27.280 -10.475 -20.470 1.00 21.24 H new ATOM 635 N GLN A 38 -25.640 -15.849 -23.937 1.00 23.44 N ATOM 636 CA GLN A 38 -26.115 -16.630 -25.073 1.00 32.25 C ATOM 637 C GLN A 38 -25.310 -17.917 -25.224 1.00 12.30 C ATOM 638 O GLN A 38 -25.869 -19.014 -25.233 1.00 4.01 O ATOM 639 CB GLN A 38 -26.028 -15.805 -26.358 1.00 24.42 C ATOM 640 CG GLN A 38 -26.855 -14.531 -26.320 1.00 53.14 C ATOM 641 CD GLN A 38 -28.221 -14.703 -26.955 1.00 71.23 C ATOM 642 OE1 GLN A 38 -28.522 -14.094 -27.982 1.00 55.10 O ATOM 643 NE2 GLN A 38 -29.056 -15.537 -26.346 1.00 53.24 N ATOM 0 H GLN A 38 -25.106 -15.018 -24.190 1.00 23.44 H new ATOM 0 HA GLN A 38 -27.156 -16.895 -24.890 1.00 32.25 H new ATOM 0 HB2 GLN A 38 -24.986 -15.546 -26.544 1.00 24.42 H new ATOM 0 HB3 GLN A 38 -26.359 -16.418 -27.197 1.00 24.42 H new ATOM 0 HG2 GLN A 38 -26.977 -14.212 -25.285 1.00 53.14 H new ATOM 0 HG3 GLN A 38 -26.316 -13.737 -26.836 1.00 53.14 H new ATOM 0 HE21 GLN A 38 -28.764 -16.021 -25.497 1.00 53.24 H new ATOM 0 HE22 GLN A 38 -29.989 -15.694 -26.728 1.00 53.24 H new ATOM 652 N LYS A 39 -23.995 -17.775 -25.343 1.00 45.24 N ATOM 653 CA LYS A 39 -23.111 -18.925 -25.494 1.00 0.13 C ATOM 654 C LYS A 39 -23.331 -19.931 -24.368 1.00 45.40 C ATOM 655 O LYS A 39 -23.187 -21.138 -24.564 1.00 30.22 O ATOM 656 CB LYS A 39 -21.649 -18.472 -25.510 1.00 31.43 C ATOM 657 CG LYS A 39 -21.106 -18.123 -24.135 1.00 44.22 C ATOM 658 CD LYS A 39 -19.708 -17.532 -24.222 1.00 32.43 C ATOM 659 CE LYS A 39 -18.656 -18.615 -24.408 1.00 73.13 C ATOM 660 NZ LYS A 39 -17.435 -18.092 -25.080 1.00 42.35 N ATOM 0 H LYS A 39 -23.517 -16.874 -25.338 1.00 45.24 H new ATOM 0 HA LYS A 39 -23.345 -19.410 -26.442 1.00 0.13 H new ATOM 0 HB2 LYS A 39 -21.037 -19.263 -25.943 1.00 31.43 H new ATOM 0 HB3 LYS A 39 -21.554 -17.603 -26.161 1.00 31.43 H new ATOM 0 HG2 LYS A 39 -21.773 -17.411 -23.649 1.00 44.22 H new ATOM 0 HG3 LYS A 39 -21.086 -19.018 -23.513 1.00 44.22 H new ATOM 0 HD2 LYS A 39 -19.660 -16.830 -25.054 1.00 32.43 H new ATOM 0 HD3 LYS A 39 -19.494 -16.967 -23.315 1.00 32.43 H new ATOM 0 HE2 LYS A 39 -18.386 -19.030 -23.437 1.00 73.13 H new ATOM 0 HE3 LYS A 39 -19.074 -19.430 -24.998 1.00 73.13 H new ATOM 0 HZ1 LYS A 39 -16.742 -18.860 -25.188 1.00 42.35 H new ATOM 0 HZ2 LYS A 39 -17.688 -17.719 -26.017 1.00 42.35 H new ATOM 0 HZ3 LYS A 39 -17.021 -17.331 -24.504 1.00 42.35 H new ATOM 674 N LEU A 40 -23.680 -19.426 -23.190 1.00 54.11 N ATOM 675 CA LEU A 40 -23.922 -20.281 -22.033 1.00 3.43 C ATOM 676 C LEU A 40 -25.401 -20.632 -21.914 1.00 52.03 C ATOM 677 O LEU A 40 -25.778 -21.531 -21.162 1.00 14.22 O ATOM 678 CB LEU A 40 -23.446 -19.588 -20.754 1.00 53.24 C ATOM 679 CG LEU A 40 -21.937 -19.383 -20.623 1.00 63.34 C ATOM 680 CD1 LEU A 40 -21.603 -18.703 -19.305 1.00 44.31 C ATOM 681 CD2 LEU A 40 -21.206 -20.713 -20.739 1.00 73.31 C ATOM 0 H LEU A 40 -23.802 -18.429 -23.011 1.00 54.11 H new ATOM 0 HA LEU A 40 -23.359 -21.204 -22.171 1.00 3.43 H new ATOM 0 HB2 LEU A 40 -23.932 -18.614 -20.690 1.00 53.24 H new ATOM 0 HB3 LEU A 40 -23.789 -20.172 -19.900 1.00 53.24 H new ATOM 0 HG LEU A 40 -21.606 -18.737 -21.436 1.00 63.34 H new ATOM 0 HD11 LEU A 40 -20.524 -18.565 -19.230 1.00 44.31 H new ATOM 0 HD12 LEU A 40 -22.097 -17.732 -19.261 1.00 44.31 H new ATOM 0 HD13 LEU A 40 -21.948 -19.323 -18.478 1.00 44.31 H new ATOM 0 HD21 LEU A 40 -20.133 -20.548 -20.643 1.00 73.31 H new ATOM 0 HD22 LEU A 40 -21.542 -21.383 -19.948 1.00 73.31 H new ATOM 0 HD23 LEU A 40 -21.419 -21.162 -21.709 1.00 73.31 H new ATOM 693 N HIS A 41 -26.236 -19.918 -22.664 1.00 25.51 N ATOM 694 CA HIS A 41 -27.674 -20.157 -22.645 1.00 54.11 C ATOM 695 C HIS A 41 -28.253 -19.880 -21.261 1.00 21.33 C ATOM 696 O HIS A 41 -29.219 -20.519 -20.841 1.00 4.40 O ATOM 697 CB HIS A 41 -27.980 -21.597 -23.060 1.00 4.52 C ATOM 698 CG HIS A 41 -27.325 -22.001 -24.345 1.00 20.33 C ATOM 699 ND1 HIS A 41 -28.028 -22.227 -25.509 1.00 72.41 N ATOM 700 CD2 HIS A 41 -26.023 -22.219 -24.645 1.00 12.30 C ATOM 701 CE1 HIS A 41 -27.188 -22.568 -26.469 1.00 64.15 C ATOM 702 NE2 HIS A 41 -25.964 -22.570 -25.971 1.00 53.22 N ATOM 0 H HIS A 41 -25.941 -19.170 -23.292 1.00 25.51 H new ATOM 0 HA HIS A 41 -28.139 -19.476 -23.357 1.00 54.11 H new ATOM 0 HB2 HIS A 41 -27.655 -22.272 -22.268 1.00 4.52 H new ATOM 0 HB3 HIS A 41 -29.059 -21.717 -23.158 1.00 4.52 H new ATOM 0 HD2 HIS A 41 -25.186 -22.133 -23.967 1.00 12.30 H new ATOM 0 HE1 HIS A 41 -27.456 -22.805 -27.488 1.00 64.15 H new ATOM 0 HE2 HIS A 41 -25.114 -22.796 -26.488 1.00 53.22 H new ATOM 711 N CYS A 42 -27.656 -18.926 -20.555 1.00 42.52 N ATOM 712 CA CYS A 42 -28.110 -18.565 -19.218 1.00 10.33 C ATOM 713 C CYS A 42 -28.493 -17.089 -19.153 1.00 4.11 C ATOM 714 O CYS A 42 -28.129 -16.303 -20.028 1.00 52.23 O ATOM 715 CB CYS A 42 -27.020 -18.866 -18.188 1.00 23.04 C ATOM 716 SG CYS A 42 -25.456 -17.977 -18.478 1.00 72.52 S ATOM 0 H CYS A 42 -26.855 -18.388 -20.887 1.00 42.52 H new ATOM 0 HA CYS A 42 -28.993 -19.162 -18.988 1.00 10.33 H new ATOM 0 HB2 CYS A 42 -27.392 -18.610 -17.196 1.00 23.04 H new ATOM 0 HB3 CYS A 42 -26.822 -19.938 -18.188 1.00 23.04 H new ATOM 721 N CYS A 43 -29.228 -16.719 -18.110 1.00 31.43 N ATOM 722 CA CYS A 43 -29.661 -15.339 -17.929 1.00 61.00 C ATOM 723 C CYS A 43 -29.199 -14.796 -16.580 1.00 25.21 C ATOM 724 O CYS A 43 -29.222 -15.503 -15.573 1.00 55.12 O ATOM 725 CB CYS A 43 -31.184 -15.242 -18.035 1.00 70.03 C ATOM 726 SG CYS A 43 -31.834 -13.547 -17.882 1.00 64.01 S ATOM 0 H CYS A 43 -29.537 -17.357 -17.376 1.00 31.43 H new ATOM 0 HA CYS A 43 -29.209 -14.737 -18.717 1.00 61.00 H new ATOM 0 HB2 CYS A 43 -31.498 -15.655 -18.994 1.00 70.03 H new ATOM 0 HB3 CYS A 43 -31.632 -15.863 -17.259 1.00 70.03 H new ATOM 731 N GLY A 44 -28.778 -13.535 -16.568 1.00 43.13 N ATOM 732 CA GLY A 44 -28.316 -12.918 -15.338 1.00 70.24 C ATOM 733 C GLY A 44 -27.156 -13.668 -14.714 1.00 33.13 C ATOM 734 O GLY A 44 -26.780 -14.743 -15.180 1.00 51.11 O ATOM 0 H GLY A 44 -28.749 -12.929 -17.388 1.00 43.13 H new ATOM 0 HA2 GLY A 44 -28.013 -11.891 -15.542 1.00 70.24 H new ATOM 0 HA3 GLY A 44 -29.140 -12.872 -14.626 1.00 70.24 H new ATOM 738 N ALA A 45 -26.587 -13.099 -13.656 1.00 61.40 N ATOM 739 CA ALA A 45 -25.463 -13.721 -12.967 1.00 34.45 C ATOM 740 C ALA A 45 -25.915 -14.940 -12.169 1.00 72.33 C ATOM 741 O ALA A 45 -25.519 -16.068 -12.464 1.00 31.12 O ATOM 742 CB ALA A 45 -24.782 -12.714 -12.053 1.00 4.32 C ATOM 0 H ALA A 45 -26.886 -12.209 -13.258 1.00 61.40 H new ATOM 0 HA ALA A 45 -24.748 -14.055 -13.719 1.00 34.45 H new ATOM 0 HB1 ALA A 45 -23.945 -13.192 -11.545 1.00 4.32 H new ATOM 0 HB2 ALA A 45 -24.416 -11.875 -12.645 1.00 4.32 H new ATOM 0 HB3 ALA A 45 -25.497 -12.352 -11.314 1.00 4.32 H new ATOM 748 N ASP A 46 -26.745 -14.706 -11.159 1.00 12.00 N ATOM 749 CA ASP A 46 -27.251 -15.785 -10.319 1.00 73.41 C ATOM 750 C ASP A 46 -28.717 -16.073 -10.629 1.00 32.05 C ATOM 751 O ASP A 46 -29.277 -17.065 -10.163 1.00 30.42 O ATOM 752 CB ASP A 46 -27.090 -15.429 -8.841 1.00 3.43 C ATOM 753 CG ASP A 46 -26.955 -16.655 -7.960 1.00 60.54 C ATOM 754 OD1 ASP A 46 -27.204 -17.773 -8.459 1.00 14.15 O ATOM 755 OD2 ASP A 46 -26.601 -16.498 -6.773 1.00 21.21 O ATOM 0 H ASP A 46 -27.082 -13.778 -10.902 1.00 12.00 H new ATOM 0 HA ASP A 46 -26.670 -16.682 -10.533 1.00 73.41 H new ATOM 0 HB2 ASP A 46 -26.210 -14.797 -8.716 1.00 3.43 H new ATOM 0 HB3 ASP A 46 -27.951 -14.845 -8.516 1.00 3.43 H new ATOM 760 N SER A 47 -29.333 -15.198 -11.416 1.00 53.44 N ATOM 761 CA SER A 47 -30.736 -15.355 -11.784 1.00 44.30 C ATOM 762 C SER A 47 -31.184 -14.228 -12.710 1.00 61.43 C ATOM 763 O SER A 47 -30.556 -13.173 -12.795 1.00 11.42 O ATOM 764 CB SER A 47 -31.613 -15.380 -10.531 1.00 74.03 C ATOM 765 OG SER A 47 -30.961 -14.756 -9.439 1.00 13.21 O ATOM 0 H SER A 47 -28.883 -14.372 -11.812 1.00 53.44 H new ATOM 0 HA SER A 47 -30.844 -16.301 -12.314 1.00 44.30 H new ATOM 0 HB2 SER A 47 -32.556 -14.873 -10.733 1.00 74.03 H new ATOM 0 HB3 SER A 47 -31.855 -16.411 -10.273 1.00 74.03 H new ATOM 0 HG SER A 47 -31.543 -14.784 -8.651 1.00 13.21 H new ATOM 771 N PRO A 48 -32.297 -14.457 -13.423 1.00 30.11 N ATOM 772 CA PRO A 48 -32.856 -13.474 -14.356 1.00 23.12 C ATOM 773 C PRO A 48 -33.446 -12.264 -13.639 1.00 24.41 C ATOM 774 O PRO A 48 -33.457 -11.156 -14.175 1.00 75.34 O ATOM 775 CB PRO A 48 -33.955 -14.256 -15.079 1.00 33.04 C ATOM 776 CG PRO A 48 -34.347 -15.329 -14.123 1.00 35.51 C ATOM 777 CD PRO A 48 -33.096 -15.693 -13.372 1.00 53.22 C ATOM 0 HA PRO A 48 -32.096 -13.066 -15.022 1.00 23.12 H new ATOM 0 HB2 PRO A 48 -34.802 -13.615 -15.324 1.00 33.04 H new ATOM 0 HB3 PRO A 48 -33.591 -14.675 -16.017 1.00 33.04 H new ATOM 0 HG2 PRO A 48 -35.123 -14.980 -13.442 1.00 35.51 H new ATOM 0 HG3 PRO A 48 -34.751 -16.193 -14.651 1.00 35.51 H new ATOM 0 HD2 PRO A 48 -33.315 -15.988 -12.346 1.00 53.22 H new ATOM 0 HD3 PRO A 48 -32.575 -16.528 -13.840 1.00 53.22 H new ATOM 785 N LYS A 49 -33.934 -12.483 -12.423 1.00 32.51 N ATOM 786 CA LYS A 49 -34.525 -11.411 -11.630 1.00 65.34 C ATOM 787 C LYS A 49 -33.516 -10.292 -11.393 1.00 52.31 C ATOM 788 O LYS A 49 -33.892 -9.158 -11.093 1.00 71.33 O ATOM 789 CB LYS A 49 -35.023 -11.955 -10.290 1.00 34.42 C ATOM 790 CG LYS A 49 -36.325 -12.732 -10.395 1.00 4.22 C ATOM 791 CD LYS A 49 -36.137 -14.035 -11.154 1.00 40.51 C ATOM 792 CE LYS A 49 -37.167 -15.074 -10.740 1.00 72.24 C ATOM 793 NZ LYS A 49 -36.716 -16.458 -11.055 1.00 22.03 N ATOM 0 H LYS A 49 -33.932 -13.394 -11.964 1.00 32.51 H new ATOM 0 HA LYS A 49 -35.370 -11.004 -12.186 1.00 65.34 H new ATOM 0 HB2 LYS A 49 -34.257 -12.602 -9.863 1.00 34.42 H new ATOM 0 HB3 LYS A 49 -35.160 -11.124 -9.598 1.00 34.42 H new ATOM 0 HG2 LYS A 49 -36.705 -12.944 -9.396 1.00 4.22 H new ATOM 0 HG3 LYS A 49 -37.075 -12.121 -10.898 1.00 4.22 H new ATOM 0 HD2 LYS A 49 -36.217 -13.848 -12.225 1.00 40.51 H new ATOM 0 HD3 LYS A 49 -35.134 -14.422 -10.972 1.00 40.51 H new ATOM 0 HE2 LYS A 49 -37.359 -14.989 -9.670 1.00 72.24 H new ATOM 0 HE3 LYS A 49 -38.110 -14.874 -11.250 1.00 72.24 H new ATOM 0 HZ1 LYS A 49 -37.446 -17.137 -10.758 1.00 22.03 H new ATOM 0 HZ2 LYS A 49 -36.557 -16.547 -12.079 1.00 22.03 H new ATOM 0 HZ3 LYS A 49 -35.830 -16.658 -10.549 1.00 22.03 H new ATOM 807 N ASP A 50 -32.235 -10.616 -11.531 1.00 34.35 N ATOM 808 CA ASP A 50 -31.173 -9.637 -11.334 1.00 10.04 C ATOM 809 C ASP A 50 -31.405 -8.402 -12.199 1.00 30.23 C ATOM 810 O ASP A 50 -31.030 -7.291 -11.825 1.00 42.41 O ATOM 811 CB ASP A 50 -29.813 -10.256 -11.660 1.00 41.32 C ATOM 812 CG ASP A 50 -29.457 -11.397 -10.728 1.00 12.01 C ATOM 813 OD1 ASP A 50 -29.909 -11.375 -9.564 1.00 40.31 O ATOM 814 OD2 ASP A 50 -28.726 -12.312 -11.162 1.00 31.13 O ATOM 0 H ASP A 50 -31.907 -11.550 -11.779 1.00 34.35 H new ATOM 0 HA ASP A 50 -31.183 -9.332 -10.288 1.00 10.04 H new ATOM 0 HB2 ASP A 50 -29.819 -10.619 -12.688 1.00 41.32 H new ATOM 0 HB3 ASP A 50 -29.043 -9.487 -11.598 1.00 41.32 H new ATOM 819 N TYR A 51 -32.024 -8.605 -13.356 1.00 72.12 N ATOM 820 CA TYR A 51 -32.303 -7.509 -14.276 1.00 50.04 C ATOM 821 C TYR A 51 -33.604 -6.803 -13.905 1.00 25.12 C ATOM 822 O TYR A 51 -33.806 -5.636 -14.236 1.00 53.21 O ATOM 823 CB TYR A 51 -32.384 -8.029 -15.713 1.00 33.14 C ATOM 824 CG TYR A 51 -31.052 -8.474 -16.272 1.00 21.54 C ATOM 825 CD1 TYR A 51 -29.988 -7.587 -16.375 1.00 23.34 C ATOM 826 CD2 TYR A 51 -30.857 -9.783 -16.696 1.00 31.20 C ATOM 827 CE1 TYR A 51 -28.769 -7.990 -16.885 1.00 50.15 C ATOM 828 CE2 TYR A 51 -29.641 -10.195 -17.207 1.00 34.02 C ATOM 829 CZ TYR A 51 -28.601 -9.295 -17.300 1.00 3.40 C ATOM 830 OH TYR A 51 -27.388 -9.700 -17.808 1.00 42.11 O ATOM 0 H TYR A 51 -32.342 -9.519 -13.679 1.00 72.12 H new ATOM 0 HA TYR A 51 -31.487 -6.790 -14.202 1.00 50.04 H new ATOM 0 HB2 TYR A 51 -33.081 -8.866 -15.749 1.00 33.14 H new ATOM 0 HB3 TYR A 51 -32.793 -7.246 -16.351 1.00 33.14 H new ATOM 0 HD1 TYR A 51 -30.116 -6.565 -16.051 1.00 23.34 H new ATOM 0 HD2 TYR A 51 -31.670 -10.491 -16.625 1.00 31.20 H new ATOM 0 HE1 TYR A 51 -27.952 -7.287 -16.958 1.00 50.15 H new ATOM 0 HE2 TYR A 51 -29.506 -11.216 -17.532 1.00 34.02 H new ATOM 0 HH TYR A 51 -27.410 -10.665 -17.978 1.00 42.11 H new ATOM 840 N GLY A 52 -34.483 -7.522 -13.213 1.00 4.22 N ATOM 841 CA GLY A 52 -35.753 -6.949 -12.806 1.00 64.33 C ATOM 842 C GLY A 52 -36.928 -7.572 -13.533 1.00 53.52 C ATOM 843 O GLY A 52 -37.326 -8.696 -13.233 1.00 32.50 O ATOM 0 H GLY A 52 -34.338 -8.490 -12.927 1.00 4.22 H new ATOM 0 HA2 GLY A 52 -35.881 -7.083 -11.732 1.00 64.33 H new ATOM 0 HA3 GLY A 52 -35.741 -5.875 -12.994 1.00 64.33 H new ATOM 847 N GLU A 53 -37.486 -6.837 -14.491 1.00 31.14 N ATOM 848 CA GLU A 53 -38.625 -7.324 -15.260 1.00 51.20 C ATOM 849 C GLU A 53 -38.425 -7.065 -16.751 1.00 33.24 C ATOM 850 O GLU A 53 -39.383 -7.054 -17.523 1.00 43.40 O ATOM 851 CB GLU A 53 -39.915 -6.653 -14.783 1.00 71.03 C ATOM 852 CG GLU A 53 -40.051 -5.208 -15.232 1.00 10.45 C ATOM 853 CD GLU A 53 -40.837 -4.363 -14.248 1.00 34.23 C ATOM 854 OE1 GLU A 53 -40.650 -4.547 -13.027 1.00 31.34 O ATOM 855 OE2 GLU A 53 -41.640 -3.519 -14.698 1.00 63.10 O ATOM 0 H GLU A 53 -37.168 -5.904 -14.752 1.00 31.14 H new ATOM 0 HA GLU A 53 -38.704 -8.400 -15.103 1.00 51.20 H new ATOM 0 HB2 GLU A 53 -40.768 -7.221 -15.153 1.00 71.03 H new ATOM 0 HB3 GLU A 53 -39.954 -6.692 -13.694 1.00 71.03 H new ATOM 0 HG2 GLU A 53 -39.058 -4.777 -15.363 1.00 10.45 H new ATOM 0 HG3 GLU A 53 -40.543 -5.178 -16.204 1.00 10.45 H new ATOM 862 N ASN A 54 -37.174 -6.858 -17.147 1.00 4.44 N ATOM 863 CA ASN A 54 -36.847 -6.598 -18.544 1.00 52.20 C ATOM 864 C ASN A 54 -35.381 -6.912 -18.828 1.00 13.44 C ATOM 865 O ASN A 54 -34.550 -6.018 -18.992 1.00 71.40 O ATOM 866 CB ASN A 54 -37.146 -5.139 -18.896 1.00 64.24 C ATOM 867 CG ASN A 54 -38.624 -4.890 -19.123 1.00 52.11 C ATOM 868 OD1 ASN A 54 -39.157 -5.181 -20.194 1.00 32.42 O ATOM 869 ND2 ASN A 54 -39.294 -4.348 -18.113 1.00 13.41 N ATOM 0 H ASN A 54 -36.369 -6.865 -16.520 1.00 4.44 H new ATOM 0 HA ASN A 54 -37.465 -7.248 -19.163 1.00 52.20 H new ATOM 0 HB2 ASN A 54 -36.791 -4.494 -18.092 1.00 64.24 H new ATOM 0 HB3 ASN A 54 -36.592 -4.864 -19.793 1.00 64.24 H new ATOM 0 HD21 ASN A 54 -40.291 -4.157 -18.207 1.00 13.41 H new ATOM 0 HD22 ASN A 54 -38.811 -4.123 -17.243 1.00 13.41 H new ATOM 876 N PRO A 55 -35.055 -8.211 -18.887 1.00 73.33 N ATOM 877 CA PRO A 55 -33.690 -8.673 -19.152 1.00 64.43 C ATOM 878 C PRO A 55 -33.252 -8.397 -20.587 1.00 32.23 C ATOM 879 O PRO A 55 -34.058 -8.054 -21.452 1.00 32.22 O ATOM 880 CB PRO A 55 -33.770 -10.181 -18.899 1.00 3.14 C ATOM 881 CG PRO A 55 -35.199 -10.529 -19.135 1.00 63.41 C ATOM 882 CD PRO A 55 -35.995 -9.330 -18.701 1.00 42.21 C ATOM 0 HA PRO A 55 -32.958 -8.160 -18.528 1.00 64.43 H new ATOM 0 HB2 PRO A 55 -33.112 -10.731 -19.572 1.00 3.14 H new ATOM 0 HB3 PRO A 55 -33.465 -10.429 -17.882 1.00 3.14 H new ATOM 0 HG2 PRO A 55 -35.377 -10.756 -20.186 1.00 63.41 H new ATOM 0 HG3 PRO A 55 -35.484 -11.414 -18.566 1.00 63.41 H new ATOM 0 HD2 PRO A 55 -36.894 -9.204 -19.305 1.00 42.21 H new ATOM 0 HD3 PRO A 55 -36.317 -9.416 -17.663 1.00 42.21 H new ATOM 890 N PRO A 56 -31.945 -8.550 -20.848 1.00 14.35 N ATOM 891 CA PRO A 56 -31.372 -8.323 -22.177 1.00 42.53 C ATOM 892 C PRO A 56 -31.797 -9.388 -23.182 1.00 22.12 C ATOM 893 O PRO A 56 -32.221 -10.480 -22.803 1.00 23.54 O ATOM 894 CB PRO A 56 -29.863 -8.393 -21.929 1.00 41.14 C ATOM 895 CG PRO A 56 -29.718 -9.240 -20.712 1.00 40.43 C ATOM 896 CD PRO A 56 -30.927 -8.956 -19.864 1.00 72.45 C ATOM 0 HA PRO A 56 -31.704 -7.378 -22.608 1.00 42.53 H new ATOM 0 HB2 PRO A 56 -29.342 -8.831 -22.780 1.00 41.14 H new ATOM 0 HB3 PRO A 56 -29.441 -7.400 -21.773 1.00 41.14 H new ATOM 0 HG2 PRO A 56 -29.666 -10.296 -20.976 1.00 40.43 H new ATOM 0 HG3 PRO A 56 -28.800 -8.999 -20.176 1.00 40.43 H new ATOM 0 HD2 PRO A 56 -31.240 -9.836 -19.302 1.00 72.45 H new ATOM 0 HD3 PRO A 56 -30.732 -8.167 -19.138 1.00 72.45 H new ATOM 904 N THR A 57 -31.681 -9.064 -24.466 1.00 24.40 N ATOM 905 CA THR A 57 -32.053 -9.993 -25.525 1.00 74.42 C ATOM 906 C THR A 57 -31.203 -11.257 -25.473 1.00 22.34 C ATOM 907 O THR A 57 -31.568 -12.287 -26.039 1.00 73.03 O ATOM 908 CB THR A 57 -31.908 -9.348 -26.916 1.00 4.40 C ATOM 909 OG1 THR A 57 -32.414 -10.232 -27.922 1.00 41.32 O ATOM 910 CG2 THR A 57 -30.452 -9.018 -27.209 1.00 42.35 C ATOM 0 H THR A 57 -31.332 -8.165 -24.797 1.00 24.40 H new ATOM 0 HA THR A 57 -33.098 -10.255 -25.361 1.00 74.42 H new ATOM 0 HB THR A 57 -32.483 -8.422 -26.925 1.00 4.40 H new ATOM 0 HG1 THR A 57 -32.386 -11.154 -27.591 1.00 41.32 H new ATOM 0 HG21 THR A 57 -30.374 -8.563 -28.197 1.00 42.35 H new ATOM 0 HG22 THR A 57 -30.079 -8.322 -26.458 1.00 42.35 H new ATOM 0 HG23 THR A 57 -29.859 -9.932 -27.182 1.00 42.35 H new ATOM 918 N SER A 58 -30.067 -11.172 -24.788 1.00 65.21 N ATOM 919 CA SER A 58 -29.162 -12.309 -24.664 1.00 61.22 C ATOM 920 C SER A 58 -29.749 -13.373 -23.742 1.00 15.12 C ATOM 921 O SER A 58 -29.375 -14.544 -23.807 1.00 62.14 O ATOM 922 CB SER A 58 -27.803 -11.851 -24.132 1.00 43.10 C ATOM 923 OG SER A 58 -27.892 -10.563 -23.547 1.00 31.55 O ATOM 0 H SER A 58 -29.751 -10.328 -24.310 1.00 65.21 H new ATOM 0 HA SER A 58 -29.029 -12.745 -25.654 1.00 61.22 H new ATOM 0 HB2 SER A 58 -27.439 -12.565 -23.393 1.00 43.10 H new ATOM 0 HB3 SER A 58 -27.077 -11.835 -24.945 1.00 43.10 H new ATOM 0 HG SER A 58 -27.664 -9.884 -24.215 1.00 31.55 H new ATOM 929 N CYS A 59 -30.673 -12.957 -22.882 1.00 11.41 N ATOM 930 CA CYS A 59 -31.314 -13.871 -21.945 1.00 22.22 C ATOM 931 C CYS A 59 -32.289 -14.796 -22.668 1.00 24.32 C ATOM 932 O CYS A 59 -32.668 -15.845 -22.147 1.00 22.04 O ATOM 933 CB CYS A 59 -32.050 -13.087 -20.857 1.00 3.14 C ATOM 934 SG CYS A 59 -31.002 -12.616 -19.442 1.00 75.32 S ATOM 0 H CYS A 59 -30.995 -11.991 -22.815 1.00 11.41 H new ATOM 0 HA CYS A 59 -30.537 -14.480 -21.482 1.00 22.22 H new ATOM 0 HB2 CYS A 59 -32.474 -12.185 -21.298 1.00 3.14 H new ATOM 0 HB3 CYS A 59 -32.885 -13.686 -20.494 1.00 3.14 H new ATOM 939 N SER A 60 -32.690 -14.400 -23.871 1.00 42.23 N ATOM 940 CA SER A 60 -33.623 -15.191 -24.665 1.00 41.10 C ATOM 941 C SER A 60 -33.049 -15.480 -26.049 1.00 35.21 C ATOM 942 O SER A 60 -32.169 -14.767 -26.531 1.00 30.20 O ATOM 943 CB SER A 60 -34.960 -14.460 -24.797 1.00 52.43 C ATOM 944 OG SER A 60 -34.768 -13.059 -24.896 1.00 31.13 O ATOM 0 H SER A 60 -32.383 -13.536 -24.318 1.00 42.23 H new ATOM 0 HA SER A 60 -33.785 -16.139 -24.153 1.00 41.10 H new ATOM 0 HB2 SER A 60 -35.490 -14.821 -25.679 1.00 52.43 H new ATOM 0 HB3 SER A 60 -35.587 -14.684 -23.934 1.00 52.43 H new ATOM 0 HG SER A 60 -35.637 -12.615 -24.981 1.00 31.13 H new ATOM 950 N LYS A 61 -33.555 -16.532 -26.684 1.00 32.22 N ATOM 951 CA LYS A 61 -33.096 -16.918 -28.013 1.00 13.31 C ATOM 952 C LYS A 61 -34.137 -17.780 -28.719 1.00 75.21 C ATOM 953 O LYS A 61 -34.752 -18.654 -28.107 1.00 12.31 O ATOM 954 CB LYS A 61 -31.770 -17.676 -27.917 1.00 54.12 C ATOM 955 CG LYS A 61 -30.989 -17.701 -29.219 1.00 61.43 C ATOM 956 CD LYS A 61 -30.213 -18.998 -29.379 1.00 21.04 C ATOM 957 CE LYS A 61 -31.018 -20.039 -30.141 1.00 61.22 C ATOM 958 NZ LYS A 61 -30.278 -21.325 -30.272 1.00 74.14 N ATOM 0 H LYS A 61 -34.284 -17.133 -26.299 1.00 32.22 H new ATOM 0 HA LYS A 61 -32.946 -16.010 -28.597 1.00 13.31 H new ATOM 0 HB2 LYS A 61 -31.155 -17.218 -27.143 1.00 54.12 H new ATOM 0 HB3 LYS A 61 -31.969 -18.701 -27.602 1.00 54.12 H new ATOM 0 HG2 LYS A 61 -31.674 -17.580 -30.058 1.00 61.43 H new ATOM 0 HG3 LYS A 61 -30.299 -16.857 -29.247 1.00 61.43 H new ATOM 0 HD2 LYS A 61 -29.279 -18.802 -29.906 1.00 21.04 H new ATOM 0 HD3 LYS A 61 -29.949 -19.389 -28.396 1.00 21.04 H new ATOM 0 HE2 LYS A 61 -31.963 -20.215 -29.627 1.00 61.22 H new ATOM 0 HE3 LYS A 61 -31.260 -19.657 -31.133 1.00 61.22 H new ATOM 0 HZ1 LYS A 61 -30.860 -22.008 -30.797 1.00 74.14 H new ATOM 0 HZ2 LYS A 61 -29.388 -21.163 -30.784 1.00 74.14 H new ATOM 0 HZ3 LYS A 61 -30.069 -21.703 -29.326 1.00 74.14 H new ATOM 972 N ASP A 62 -34.329 -17.530 -30.010 1.00 31.33 N ATOM 973 CA ASP A 62 -35.294 -18.286 -30.800 1.00 31.03 C ATOM 974 C ASP A 62 -36.675 -18.246 -30.154 1.00 35.24 C ATOM 975 O ASP A 62 -37.483 -19.157 -30.334 1.00 2.21 O ATOM 976 CB ASP A 62 -34.833 -19.736 -30.957 1.00 43.33 C ATOM 977 CG ASP A 62 -35.415 -20.398 -32.191 1.00 2.33 C ATOM 978 OD1 ASP A 62 -36.518 -20.974 -32.090 1.00 54.13 O ATOM 979 OD2 ASP A 62 -34.767 -20.339 -33.257 1.00 12.14 O ATOM 0 H ASP A 62 -33.829 -16.810 -30.531 1.00 31.33 H new ATOM 0 HA ASP A 62 -35.360 -17.825 -31.786 1.00 31.03 H new ATOM 0 HB2 ASP A 62 -33.745 -19.764 -31.012 1.00 43.33 H new ATOM 0 HB3 ASP A 62 -35.122 -20.304 -30.073 1.00 43.33 H new ATOM 984 N GLY A 63 -36.940 -17.184 -29.399 1.00 21.14 N ATOM 985 CA GLY A 63 -38.224 -17.046 -28.736 1.00 24.00 C ATOM 986 C GLY A 63 -38.318 -17.882 -27.475 1.00 1.53 C ATOM 987 O GLY A 63 -39.409 -18.273 -27.061 1.00 12.14 O ATOM 0 H GLY A 63 -36.288 -16.417 -29.235 1.00 21.14 H new ATOM 0 HA2 GLY A 63 -38.390 -15.998 -28.487 1.00 24.00 H new ATOM 0 HA3 GLY A 63 -39.018 -17.340 -29.423 1.00 24.00 H new ATOM 991 N VAL A 64 -37.171 -18.158 -26.862 1.00 42.54 N ATOM 992 CA VAL A 64 -37.128 -18.953 -25.641 1.00 52.31 C ATOM 993 C VAL A 64 -36.480 -18.175 -24.501 1.00 65.24 C ATOM 994 O VAL A 64 -35.685 -17.264 -24.732 1.00 60.35 O ATOM 995 CB VAL A 64 -36.356 -20.268 -25.855 1.00 35.53 C ATOM 996 CG1 VAL A 64 -34.869 -20.061 -25.613 1.00 51.44 C ATOM 997 CG2 VAL A 64 -36.905 -21.360 -24.948 1.00 65.32 C ATOM 0 H VAL A 64 -36.259 -17.842 -27.192 1.00 42.54 H new ATOM 0 HA VAL A 64 -38.160 -19.185 -25.378 1.00 52.31 H new ATOM 0 HB VAL A 64 -36.490 -20.584 -26.890 1.00 35.53 H new ATOM 0 HG11 VAL A 64 -34.341 -21.001 -25.769 1.00 51.44 H new ATOM 0 HG12 VAL A 64 -34.488 -19.311 -26.307 1.00 51.44 H new ATOM 0 HG13 VAL A 64 -34.711 -19.722 -24.589 1.00 51.44 H new ATOM 0 HG21 VAL A 64 -36.348 -22.283 -25.112 1.00 65.32 H new ATOM 0 HG22 VAL A 64 -36.802 -21.054 -23.907 1.00 65.32 H new ATOM 0 HG23 VAL A 64 -37.958 -21.526 -25.175 1.00 65.32 H new ATOM 1007 N GLN A 65 -36.824 -18.542 -23.271 1.00 41.21 N ATOM 1008 CA GLN A 65 -36.275 -17.878 -22.095 1.00 3.22 C ATOM 1009 C GLN A 65 -35.377 -18.824 -21.305 1.00 22.30 C ATOM 1010 O GLN A 65 -35.783 -19.931 -20.951 1.00 34.14 O ATOM 1011 CB GLN A 65 -37.404 -17.362 -21.201 1.00 5.22 C ATOM 1012 CG GLN A 65 -36.983 -16.223 -20.286 1.00 41.43 C ATOM 1013 CD GLN A 65 -36.999 -16.614 -18.822 1.00 10.43 C ATOM 1014 OE1 GLN A 65 -37.973 -17.184 -18.330 1.00 73.12 O ATOM 1015 NE2 GLN A 65 -35.917 -16.308 -18.115 1.00 62.33 N ATOM 0 H GLN A 65 -37.480 -19.295 -23.063 1.00 41.21 H new ATOM 0 HA GLN A 65 -35.674 -17.034 -22.433 1.00 3.22 H new ATOM 0 HB2 GLN A 65 -38.229 -17.026 -21.829 1.00 5.22 H new ATOM 0 HB3 GLN A 65 -37.780 -18.185 -20.593 1.00 5.22 H new ATOM 0 HG2 GLN A 65 -35.980 -15.894 -20.559 1.00 41.43 H new ATOM 0 HG3 GLN A 65 -37.650 -15.374 -20.439 1.00 41.43 H new ATOM 0 HE21 GLN A 65 -35.132 -15.835 -18.563 1.00 62.33 H new ATOM 0 HE22 GLN A 65 -35.871 -16.546 -17.124 1.00 62.33 H new ATOM 1024 N PHE A 66 -34.154 -18.382 -21.033 1.00 24.15 N ATOM 1025 CA PHE A 66 -33.197 -19.191 -20.285 1.00 51.55 C ATOM 1026 C PHE A 66 -33.427 -19.055 -18.783 1.00 43.11 C ATOM 1027 O PHE A 66 -33.072 -18.043 -18.177 1.00 51.13 O ATOM 1028 CB PHE A 66 -31.766 -18.777 -20.634 1.00 2.35 C ATOM 1029 CG PHE A 66 -31.435 -18.931 -22.090 1.00 64.14 C ATOM 1030 CD1 PHE A 66 -31.800 -20.076 -22.780 1.00 3.00 C ATOM 1031 CD2 PHE A 66 -30.757 -17.931 -22.770 1.00 75.31 C ATOM 1032 CE1 PHE A 66 -31.497 -20.221 -24.121 1.00 22.12 C ATOM 1033 CE2 PHE A 66 -30.452 -18.071 -24.111 1.00 13.41 C ATOM 1034 CZ PHE A 66 -30.821 -19.217 -24.787 1.00 33.43 C ATOM 0 H PHE A 66 -33.802 -17.469 -21.319 1.00 24.15 H new ATOM 0 HA PHE A 66 -33.344 -20.235 -20.563 1.00 51.55 H new ATOM 0 HB2 PHE A 66 -31.616 -17.737 -20.344 1.00 2.35 H new ATOM 0 HB3 PHE A 66 -31.070 -19.375 -20.046 1.00 2.35 H new ATOM 0 HD1 PHE A 66 -32.328 -20.865 -22.264 1.00 3.00 H new ATOM 0 HD2 PHE A 66 -30.464 -17.033 -22.246 1.00 75.31 H new ATOM 0 HE1 PHE A 66 -31.788 -21.118 -24.647 1.00 22.12 H new ATOM 0 HE2 PHE A 66 -29.925 -17.284 -24.630 1.00 13.41 H new ATOM 0 HZ PHE A 66 -30.582 -19.328 -25.834 1.00 33.43 H new ATOM 1044 N THR A 67 -34.024 -20.082 -18.186 1.00 64.25 N ATOM 1045 CA THR A 67 -34.303 -20.078 -16.756 1.00 62.41 C ATOM 1046 C THR A 67 -33.175 -20.743 -15.974 1.00 54.40 C ATOM 1047 O THR A 67 -33.421 -21.489 -15.027 1.00 11.30 O ATOM 1048 CB THR A 67 -35.626 -20.801 -16.440 1.00 52.51 C ATOM 1049 OG1 THR A 67 -35.704 -22.026 -17.177 1.00 50.44 O ATOM 1050 CG2 THR A 67 -36.818 -19.920 -16.783 1.00 13.13 C ATOM 0 H THR A 67 -34.324 -20.928 -18.672 1.00 64.25 H new ATOM 0 HA THR A 67 -34.386 -19.034 -16.453 1.00 62.41 H new ATOM 0 HB THR A 67 -35.650 -21.019 -15.372 1.00 52.51 H new ATOM 0 HG1 THR A 67 -36.547 -22.480 -16.969 1.00 50.44 H new ATOM 0 HG21 THR A 67 -37.741 -20.451 -16.552 1.00 13.13 H new ATOM 0 HG22 THR A 67 -36.772 -19.001 -16.198 1.00 13.13 H new ATOM 0 HG23 THR A 67 -36.796 -19.676 -17.845 1.00 13.13 H new ATOM 1058 N GLU A 68 -31.939 -20.465 -16.376 1.00 60.54 N ATOM 1059 CA GLU A 68 -30.774 -21.037 -15.712 1.00 21.53 C ATOM 1060 C GLU A 68 -29.733 -19.961 -15.416 1.00 71.34 C ATOM 1061 O GLU A 68 -29.403 -19.148 -16.279 1.00 31.23 O ATOM 1062 CB GLU A 68 -30.155 -22.138 -16.576 1.00 42.43 C ATOM 1063 CG GLU A 68 -31.178 -23.078 -17.190 1.00 34.12 C ATOM 1064 CD GLU A 68 -31.299 -22.909 -18.692 1.00 34.11 C ATOM 1065 OE1 GLU A 68 -30.257 -22.728 -19.355 1.00 11.10 O ATOM 1066 OE2 GLU A 68 -32.437 -22.959 -19.204 1.00 15.40 O ATOM 0 H GLU A 68 -31.719 -19.848 -17.158 1.00 60.54 H new ATOM 0 HA GLU A 68 -31.103 -21.469 -14.767 1.00 21.53 H new ATOM 0 HB2 GLU A 68 -29.572 -21.677 -17.374 1.00 42.43 H new ATOM 0 HB3 GLU A 68 -29.460 -22.718 -15.968 1.00 42.43 H new ATOM 0 HG2 GLU A 68 -30.900 -24.108 -16.965 1.00 34.12 H new ATOM 0 HG3 GLU A 68 -32.150 -22.902 -16.729 1.00 34.12 H new ATOM 1073 N GLY A 69 -29.220 -19.963 -14.190 1.00 21.22 N ATOM 1074 CA GLY A 69 -28.223 -18.983 -13.801 1.00 42.13 C ATOM 1075 C GLY A 69 -26.952 -19.093 -14.620 1.00 23.11 C ATOM 1076 O GLY A 69 -26.824 -19.978 -15.466 1.00 70.51 O ATOM 0 H GLY A 69 -29.477 -20.626 -13.459 1.00 21.22 H new ATOM 0 HA2 GLY A 69 -28.639 -17.982 -13.914 1.00 42.13 H new ATOM 0 HA3 GLY A 69 -27.984 -19.112 -12.745 1.00 42.13 H new ATOM 1080 N CYS A 70 -26.009 -18.191 -14.370 1.00 2.12 N ATOM 1081 CA CYS A 70 -24.742 -18.188 -15.091 1.00 23.21 C ATOM 1082 C CYS A 70 -23.598 -18.631 -14.183 1.00 11.22 C ATOM 1083 O CYS A 70 -22.633 -19.245 -14.638 1.00 21.21 O ATOM 1084 CB CYS A 70 -24.453 -16.794 -15.651 1.00 24.10 C ATOM 1085 SG CYS A 70 -25.253 -16.455 -17.252 1.00 21.30 S ATOM 0 H CYS A 70 -26.099 -17.452 -13.673 1.00 2.12 H new ATOM 0 HA CYS A 70 -24.821 -18.895 -15.917 1.00 23.21 H new ATOM 0 HB2 CYS A 70 -24.782 -16.048 -14.927 1.00 24.10 H new ATOM 0 HB3 CYS A 70 -23.375 -16.676 -15.763 1.00 24.10 H new ATOM 1090 N ILE A 71 -23.714 -18.315 -12.898 1.00 13.55 N ATOM 1091 CA ILE A 71 -22.691 -18.681 -11.926 1.00 15.43 C ATOM 1092 C ILE A 71 -22.579 -20.195 -11.790 1.00 71.31 C ATOM 1093 O ILE A 71 -21.510 -20.725 -11.485 1.00 35.14 O ATOM 1094 CB ILE A 71 -22.987 -18.073 -10.542 1.00 22.04 C ATOM 1095 CG1 ILE A 71 -23.050 -16.547 -10.633 1.00 64.02 C ATOM 1096 CG2 ILE A 71 -21.930 -18.506 -9.537 1.00 3.22 C ATOM 1097 CD1 ILE A 71 -24.044 -15.925 -9.678 1.00 52.24 C ATOM 0 H ILE A 71 -24.506 -17.806 -12.505 1.00 13.55 H new ATOM 0 HA ILE A 71 -21.747 -18.281 -12.295 1.00 15.43 H new ATOM 0 HB ILE A 71 -23.956 -18.437 -10.201 1.00 22.04 H new ATOM 0 HG12 ILE A 71 -22.060 -16.138 -10.431 1.00 64.02 H new ATOM 0 HG13 ILE A 71 -23.311 -16.262 -11.652 1.00 64.02 H new ATOM 0 HG21 ILE A 71 -22.152 -18.069 -8.564 1.00 3.22 H new ATOM 0 HG22 ILE A 71 -21.930 -19.593 -9.455 1.00 3.22 H new ATOM 0 HG23 ILE A 71 -20.949 -18.167 -9.871 1.00 3.22 H new ATOM 0 HD11 ILE A 71 -24.035 -14.842 -9.798 1.00 52.24 H new ATOM 0 HD12 ILE A 71 -25.042 -16.305 -9.893 1.00 52.24 H new ATOM 0 HD13 ILE A 71 -23.772 -16.179 -8.653 1.00 52.24 H new ATOM 1109 N LYS A 72 -23.689 -20.888 -12.021 1.00 21.41 N ATOM 1110 CA LYS A 72 -23.716 -22.343 -11.928 1.00 72.21 C ATOM 1111 C LYS A 72 -23.240 -22.981 -13.230 1.00 14.53 C ATOM 1112 O LYS A 72 -22.625 -24.047 -13.223 1.00 4.45 O ATOM 1113 CB LYS A 72 -25.130 -22.827 -11.598 1.00 21.32 C ATOM 1114 CG LYS A 72 -25.504 -22.659 -10.135 1.00 73.04 C ATOM 1115 CD LYS A 72 -27.011 -22.691 -9.938 1.00 64.12 C ATOM 1116 CE LYS A 72 -27.385 -22.509 -8.475 1.00 51.03 C ATOM 1117 NZ LYS A 72 -27.099 -23.731 -7.673 1.00 52.42 N ATOM 0 H LYS A 72 -24.582 -20.465 -12.274 1.00 21.41 H new ATOM 0 HA LYS A 72 -23.039 -22.643 -11.128 1.00 72.21 H new ATOM 0 HB2 LYS A 72 -25.845 -22.280 -12.212 1.00 21.32 H new ATOM 0 HB3 LYS A 72 -25.217 -23.879 -11.868 1.00 21.32 H new ATOM 0 HG2 LYS A 72 -25.042 -23.452 -9.547 1.00 73.04 H new ATOM 0 HG3 LYS A 72 -25.107 -21.714 -9.763 1.00 73.04 H new ATOM 0 HD2 LYS A 72 -27.474 -21.904 -10.534 1.00 64.12 H new ATOM 0 HD3 LYS A 72 -27.407 -23.640 -10.301 1.00 64.12 H new ATOM 0 HE2 LYS A 72 -26.832 -21.665 -8.061 1.00 51.03 H new ATOM 0 HE3 LYS A 72 -28.444 -22.264 -8.399 1.00 51.03 H new ATOM 0 HZ1 LYS A 72 -27.383 -23.572 -6.685 1.00 52.42 H new ATOM 0 HZ2 LYS A 72 -27.632 -24.534 -8.062 1.00 52.42 H new ATOM 0 HZ3 LYS A 72 -26.081 -23.941 -7.711 1.00 52.42 H new ATOM 1131 N LYS A 73 -23.528 -22.320 -14.346 1.00 74.32 N ATOM 1132 CA LYS A 73 -23.128 -22.820 -15.656 1.00 40.02 C ATOM 1133 C LYS A 73 -21.639 -22.588 -15.895 1.00 74.22 C ATOM 1134 O LYS A 73 -20.910 -23.507 -16.267 1.00 63.23 O ATOM 1135 CB LYS A 73 -23.944 -22.138 -16.756 1.00 53.04 C ATOM 1136 CG LYS A 73 -25.443 -22.339 -16.615 1.00 32.00 C ATOM 1137 CD LYS A 73 -25.826 -23.802 -16.763 1.00 60.02 C ATOM 1138 CE LYS A 73 -25.456 -24.338 -18.138 1.00 34.43 C ATOM 1139 NZ LYS A 73 -26.071 -23.534 -19.230 1.00 64.44 N ATOM 0 H LYS A 73 -24.037 -21.436 -14.369 1.00 74.32 H new ATOM 0 HA LYS A 73 -23.320 -23.893 -15.682 1.00 40.02 H new ATOM 0 HB2 LYS A 73 -23.727 -21.070 -16.748 1.00 53.04 H new ATOM 0 HB3 LYS A 73 -23.624 -22.522 -17.725 1.00 53.04 H new ATOM 0 HG2 LYS A 73 -25.770 -21.973 -15.642 1.00 32.00 H new ATOM 0 HG3 LYS A 73 -25.963 -21.748 -17.369 1.00 32.00 H new ATOM 0 HD2 LYS A 73 -25.324 -24.390 -15.995 1.00 60.02 H new ATOM 0 HD3 LYS A 73 -26.898 -23.917 -16.603 1.00 60.02 H new ATOM 0 HE2 LYS A 73 -24.372 -24.333 -18.250 1.00 34.43 H new ATOM 0 HE3 LYS A 73 -25.781 -25.375 -18.223 1.00 34.43 H new ATOM 0 HZ1 LYS A 73 -26.415 -24.170 -19.978 1.00 64.44 H new ATOM 0 HZ2 LYS A 73 -26.867 -22.984 -18.850 1.00 64.44 H new ATOM 0 HZ3 LYS A 73 -25.361 -22.886 -19.627 1.00 64.44 H new