USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 808 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 29 TYR OH : rot 30:sc= 0.648 USER MOD Set 1.2: A 97 THR OG1 : rot -106:sc= 0.186 USER MOD Set 2.1: A 72 SER OG : rot -160:sc= 0 USER MOD Set 2.2: A 74 ASN : amide:sc= -0.043 X(o=-0.043,f=-0.041) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.143) USER MOD Single : A 33 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-9.6!) USER MOD Single : A 39 ASN : amide:sc= -0.0851 X(o=-0.085,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -120:sc= -0.458 (180deg=-3.14!) USER MOD Single : A 49 SER OG : rot -25:sc= 0.148 USER MOD Single : A 53 SER OG : rot 180:sc= 0.923 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 130:sc= -0.933 USER MOD Single : A 58 GLN : amide:sc= -0.217 K(o=-0.22,f=-1.1) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00428 USER MOD Single : A 76 LYS NZ :NH3+ -167:sc= -0.391 (180deg=-0.527) USER MOD Single : A 77 SER OG : rot 85:sc= 0.0975 USER MOD Single : A 80 ASN : amide:sc= -0.252 X(o=-0.25,f=-0.029) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 92:sc= -1.08 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= 0.942 K(o=0.94,f=-4.3!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.0398 K(o=-0.04,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 177 N ALA A 13 -5.463 2.594 3.944 1.00 31.41 N ATOM 178 CA ALA A 13 -4.418 2.008 4.775 1.00 70.05 C ATOM 179 C ALA A 13 -4.904 0.728 5.446 1.00 11.21 C ATOM 180 O ALA A 13 -4.183 -0.269 5.499 1.00 2.33 O ATOM 181 CB ALA A 13 -3.950 3.010 5.819 1.00 11.22 C ATOM 0 HA ALA A 13 -3.576 1.752 4.131 1.00 70.05 H new ATOM 0 HB1 ALA A 13 -3.170 2.559 6.432 1.00 11.22 H new ATOM 0 HB2 ALA A 13 -3.554 3.896 5.322 1.00 11.22 H new ATOM 0 HB3 ALA A 13 -4.790 3.295 6.452 1.00 11.22 H new ATOM 187 N ASP A 14 -6.130 0.763 5.959 1.00 44.44 N ATOM 188 CA ASP A 14 -6.711 -0.394 6.627 1.00 73.50 C ATOM 189 C ASP A 14 -6.721 -1.609 5.704 1.00 65.14 C ATOM 190 O ASP A 14 -6.099 -2.629 5.999 1.00 62.14 O ATOM 191 CB ASP A 14 -8.136 -0.080 7.090 1.00 64.13 C ATOM 192 CG ASP A 14 -8.636 -1.064 8.130 1.00 53.43 C ATOM 193 OD1 ASP A 14 -8.261 -0.919 9.311 1.00 32.02 O ATOM 194 OD2 ASP A 14 -9.403 -1.978 7.761 1.00 55.25 O ATOM 0 H ASP A 14 -6.739 1.580 5.924 1.00 44.44 H new ATOM 0 HA ASP A 14 -6.096 -0.626 7.496 1.00 73.50 H new ATOM 0 HB2 ASP A 14 -8.167 0.928 7.503 1.00 64.13 H new ATOM 0 HB3 ASP A 14 -8.806 -0.093 6.230 1.00 64.13 H new ATOM 199 N GLU A 15 -7.430 -1.490 4.585 1.00 3.21 N ATOM 200 CA GLU A 15 -7.520 -2.579 3.620 1.00 53.31 C ATOM 201 C GLU A 15 -6.131 -3.026 3.172 1.00 74.41 C ATOM 202 O GLU A 15 -5.893 -4.212 2.940 1.00 34.23 O ATOM 203 CB GLU A 15 -8.346 -2.147 2.406 1.00 24.33 C ATOM 204 CG GLU A 15 -9.769 -2.676 2.418 1.00 70.50 C ATOM 205 CD GLU A 15 -10.659 -1.933 3.395 1.00 14.32 C ATOM 206 OE1 GLU A 15 -11.126 -0.827 3.047 1.00 13.05 O ATOM 207 OE2 GLU A 15 -10.889 -2.455 4.505 1.00 33.10 O ATOM 0 H GLU A 15 -7.949 -0.651 4.325 1.00 3.21 H new ATOM 0 HA GLU A 15 -8.014 -3.421 4.105 1.00 53.31 H new ATOM 0 HB2 GLU A 15 -8.373 -1.058 2.364 1.00 24.33 H new ATOM 0 HB3 GLU A 15 -7.848 -2.489 1.498 1.00 24.33 H new ATOM 0 HG2 GLU A 15 -10.190 -2.597 1.416 1.00 70.50 H new ATOM 0 HG3 GLU A 15 -9.757 -3.735 2.676 1.00 70.50 H new ATOM 214 N LEU A 16 -5.219 -2.068 3.052 1.00 63.44 N ATOM 215 CA LEU A 16 -3.853 -2.361 2.631 1.00 72.12 C ATOM 216 C LEU A 16 -3.132 -3.209 3.674 1.00 52.23 C ATOM 217 O LEU A 16 -2.486 -4.202 3.341 1.00 62.50 O ATOM 218 CB LEU A 16 -3.082 -1.062 2.391 1.00 62.41 C ATOM 219 CG LEU A 16 -1.657 -1.215 1.859 1.00 24.53 C ATOM 220 CD1 LEU A 16 -0.686 -1.470 3.002 1.00 63.40 C ATOM 221 CD2 LEU A 16 -1.588 -2.340 0.837 1.00 21.43 C ATOM 0 H LEU A 16 -5.400 -1.082 3.240 1.00 63.44 H new ATOM 0 HA LEU A 16 -3.899 -2.925 1.700 1.00 72.12 H new ATOM 0 HB2 LEU A 16 -3.648 -0.452 1.687 1.00 62.41 H new ATOM 0 HB3 LEU A 16 -3.041 -0.509 3.329 1.00 62.41 H new ATOM 0 HG LEU A 16 -1.371 -0.286 1.367 1.00 24.53 H new ATOM 0 HD11 LEU A 16 0.324 -1.576 2.605 1.00 63.40 H new ATOM 0 HD12 LEU A 16 -0.716 -0.632 3.698 1.00 63.40 H new ATOM 0 HD13 LEU A 16 -0.969 -2.385 3.523 1.00 63.40 H new ATOM 0 HD21 LEU A 16 -0.566 -2.435 0.469 1.00 21.43 H new ATOM 0 HD22 LEU A 16 -1.893 -3.276 1.305 1.00 21.43 H new ATOM 0 HD23 LEU A 16 -2.255 -2.116 0.004 1.00 21.43 H new ATOM 233 N GLU A 17 -3.249 -2.811 4.937 1.00 11.11 N ATOM 234 CA GLU A 17 -2.609 -3.536 6.028 1.00 13.41 C ATOM 235 C GLU A 17 -3.326 -4.855 6.299 1.00 61.11 C ATOM 236 O GLU A 17 -2.846 -5.688 7.069 1.00 64.03 O ATOM 237 CB GLU A 17 -2.594 -2.681 7.298 1.00 53.23 C ATOM 238 CG GLU A 17 -1.656 -1.489 7.218 1.00 34.04 C ATOM 239 CD GLU A 17 -0.480 -1.608 8.167 1.00 23.15 C ATOM 240 OE1 GLU A 17 0.103 -2.709 8.253 1.00 32.33 O ATOM 241 OE2 GLU A 17 -0.142 -0.600 8.823 1.00 70.22 O ATOM 0 H GLU A 17 -3.781 -1.991 5.230 1.00 11.11 H new ATOM 0 HA GLU A 17 -1.583 -3.754 5.733 1.00 13.41 H new ATOM 0 HB2 GLU A 17 -3.605 -2.325 7.498 1.00 53.23 H new ATOM 0 HB3 GLU A 17 -2.303 -3.305 8.143 1.00 53.23 H new ATOM 0 HG2 GLU A 17 -1.286 -1.390 6.197 1.00 34.04 H new ATOM 0 HG3 GLU A 17 -2.211 -0.579 7.445 1.00 34.04 H new ATOM 248 N ARG A 18 -4.476 -5.039 5.660 1.00 1.21 N ATOM 249 CA ARG A 18 -5.261 -6.256 5.832 1.00 4.23 C ATOM 250 C ARG A 18 -4.816 -7.333 4.847 1.00 60.31 C ATOM 251 O ARG A 18 -4.684 -8.503 5.208 1.00 52.04 O ATOM 252 CB ARG A 18 -6.749 -5.960 5.644 1.00 35.41 C ATOM 253 CG ARG A 18 -7.661 -7.000 6.273 1.00 34.53 C ATOM 254 CD ARG A 18 -9.128 -6.659 6.059 1.00 4.32 C ATOM 255 NE ARG A 18 -9.998 -7.804 6.308 1.00 14.24 N ATOM 256 CZ ARG A 18 -11.322 -7.720 6.374 1.00 52.33 C ATOM 257 NH1 ARG A 18 -11.925 -6.550 6.209 1.00 64.42 N ATOM 258 NH2 ARG A 18 -12.047 -8.807 6.605 1.00 55.42 N ATOM 0 H ARG A 18 -4.886 -4.361 5.018 1.00 1.21 H new ATOM 0 HA ARG A 18 -5.097 -6.624 6.845 1.00 4.23 H new ATOM 0 HB2 ARG A 18 -6.974 -4.984 6.074 1.00 35.41 H new ATOM 0 HB3 ARG A 18 -6.966 -5.896 4.578 1.00 35.41 H new ATOM 0 HG2 ARG A 18 -7.448 -7.979 5.844 1.00 34.53 H new ATOM 0 HG3 ARG A 18 -7.454 -7.068 7.341 1.00 34.53 H new ATOM 0 HD2 ARG A 18 -9.410 -5.839 6.720 1.00 4.32 H new ATOM 0 HD3 ARG A 18 -9.273 -6.309 5.037 1.00 4.32 H new ATOM 0 HE ARG A 18 -9.566 -8.719 6.438 1.00 14.24 H new ATOM 0 HH11 ARG A 18 -11.372 -5.712 6.031 1.00 64.42 H new ATOM 0 HH12 ARG A 18 -12.942 -6.489 6.260 1.00 64.42 H new ATOM 0 HH21 ARG A 18 -11.588 -9.709 6.732 1.00 55.42 H new ATOM 0 HH22 ARG A 18 -13.064 -8.741 6.655 1.00 55.42 H new ATOM 272 N ILE A 19 -4.588 -6.930 3.601 1.00 11.22 N ATOM 273 CA ILE A 19 -4.158 -7.860 2.565 1.00 52.13 C ATOM 274 C ILE A 19 -2.951 -8.672 3.020 1.00 73.13 C ATOM 275 O ILE A 19 -2.010 -8.132 3.602 1.00 51.43 O ATOM 276 CB ILE A 19 -3.805 -7.124 1.259 1.00 3.32 C ATOM 277 CG1 ILE A 19 -5.015 -6.344 0.743 1.00 53.41 C ATOM 278 CG2 ILE A 19 -3.317 -8.111 0.209 1.00 13.51 C ATOM 279 CD1 ILE A 19 -4.659 -4.998 0.149 1.00 33.22 C ATOM 0 H ILE A 19 -4.694 -5.966 3.285 1.00 11.22 H new ATOM 0 HA ILE A 19 -4.995 -8.533 2.379 1.00 52.13 H new ATOM 0 HB ILE A 19 -3.002 -6.416 1.465 1.00 3.32 H new ATOM 0 HG12 ILE A 19 -5.527 -6.941 -0.012 1.00 53.41 H new ATOM 0 HG13 ILE A 19 -5.718 -6.196 1.563 1.00 53.41 H new ATOM 0 HG21 ILE A 19 -3.072 -7.575 -0.708 1.00 13.51 H new ATOM 0 HG22 ILE A 19 -2.429 -8.625 0.578 1.00 13.51 H new ATOM 0 HG23 ILE A 19 -4.100 -8.841 0.004 1.00 13.51 H new ATOM 0 HD11 ILE A 19 -5.566 -4.501 -0.196 1.00 33.22 H new ATOM 0 HD12 ILE A 19 -4.174 -4.383 0.907 1.00 33.22 H new ATOM 0 HD13 ILE A 19 -3.980 -5.140 -0.692 1.00 33.22 H new ATOM 291 N ARG A 20 -2.984 -9.973 2.751 1.00 41.31 N ATOM 292 CA ARG A 20 -1.892 -10.861 3.133 1.00 41.12 C ATOM 293 C ARG A 20 -1.051 -11.241 1.918 1.00 25.12 C ATOM 294 O ARG A 20 -1.554 -11.303 0.795 1.00 2.42 O ATOM 295 CB ARG A 20 -2.442 -12.122 3.801 1.00 32.45 C ATOM 296 CG ARG A 20 -3.225 -11.845 5.074 1.00 13.53 C ATOM 297 CD ARG A 20 -3.937 -13.093 5.572 1.00 14.51 C ATOM 298 NE ARG A 20 -5.286 -12.798 6.051 1.00 25.14 N ATOM 299 CZ ARG A 20 -6.307 -12.524 5.247 1.00 54.20 C ATOM 300 NH1 ARG A 20 -6.135 -12.507 3.933 1.00 31.02 N ATOM 301 NH2 ARG A 20 -7.505 -12.267 5.758 1.00 1.23 N ATOM 0 H ARG A 20 -3.755 -10.436 2.270 1.00 41.31 H new ATOM 0 HA ARG A 20 -1.256 -10.331 3.842 1.00 41.12 H new ATOM 0 HB2 ARG A 20 -3.087 -12.645 3.095 1.00 32.45 H new ATOM 0 HB3 ARG A 20 -1.613 -12.791 4.033 1.00 32.45 H new ATOM 0 HG2 ARG A 20 -2.549 -11.478 5.846 1.00 13.53 H new ATOM 0 HG3 ARG A 20 -3.955 -11.057 4.889 1.00 13.53 H new ATOM 0 HD2 ARG A 20 -3.990 -13.826 4.767 1.00 14.51 H new ATOM 0 HD3 ARG A 20 -3.357 -13.545 6.377 1.00 14.51 H new ATOM 0 HE ARG A 20 -5.452 -12.803 7.057 1.00 25.14 H new ATOM 0 HH11 ARG A 20 -5.216 -12.705 3.536 1.00 31.02 H new ATOM 0 HH12 ARG A 20 -6.921 -12.296 3.318 1.00 31.02 H new ATOM 0 HH21 ARG A 20 -7.642 -12.280 6.769 1.00 1.23 H new ATOM 0 HH22 ARG A 20 -8.289 -12.057 5.140 1.00 1.23 H new ATOM 315 N LEU A 21 0.232 -11.496 2.150 1.00 45.30 N ATOM 316 CA LEU A 21 1.144 -11.870 1.075 1.00 64.14 C ATOM 317 C LEU A 21 0.748 -13.211 0.466 1.00 34.41 C ATOM 318 O LEU A 21 1.068 -13.500 -0.687 1.00 21.13 O ATOM 319 CB LEU A 21 2.580 -11.939 1.598 1.00 54.10 C ATOM 320 CG LEU A 21 3.146 -10.642 2.178 1.00 62.33 C ATOM 321 CD1 LEU A 21 4.425 -10.918 2.955 1.00 61.35 C ATOM 322 CD2 LEU A 21 3.400 -9.629 1.071 1.00 32.52 C ATOM 0 H LEU A 21 0.664 -11.451 3.073 1.00 45.30 H new ATOM 0 HA LEU A 21 1.083 -11.107 0.299 1.00 64.14 H new ATOM 0 HB2 LEU A 21 2.629 -12.709 2.368 1.00 54.10 H new ATOM 0 HB3 LEU A 21 3.227 -12.262 0.783 1.00 54.10 H new ATOM 0 HG LEU A 21 2.411 -10.223 2.865 1.00 62.33 H new ATOM 0 HD11 LEU A 21 4.813 -9.984 3.360 1.00 61.35 H new ATOM 0 HD12 LEU A 21 4.213 -11.608 3.772 1.00 61.35 H new ATOM 0 HD13 LEU A 21 5.166 -11.361 2.290 1.00 61.35 H new ATOM 0 HD21 LEU A 21 3.803 -8.712 1.502 1.00 32.52 H new ATOM 0 HD22 LEU A 21 4.116 -10.040 0.359 1.00 32.52 H new ATOM 0 HD23 LEU A 21 2.464 -9.408 0.558 1.00 32.52 H new ATOM 334 N ARG A 22 0.047 -14.026 1.249 1.00 71.13 N ATOM 335 CA ARG A 22 -0.395 -15.337 0.786 1.00 0.31 C ATOM 336 C ARG A 22 -1.852 -15.584 1.167 1.00 24.41 C ATOM 337 O ARG A 22 -2.399 -14.951 2.070 1.00 71.22 O ATOM 338 CB ARG A 22 0.493 -16.434 1.376 1.00 14.12 C ATOM 339 CG ARG A 22 1.482 -17.018 0.381 1.00 11.22 C ATOM 340 CD ARG A 22 1.591 -18.528 0.524 1.00 62.24 C ATOM 341 NE ARG A 22 1.966 -19.170 -0.732 1.00 62.23 N ATOM 342 CZ ARG A 22 2.121 -20.483 -0.869 1.00 42.12 C ATOM 343 NH1 ARG A 22 1.935 -21.287 0.168 1.00 35.11 N ATOM 344 NH2 ARG A 22 2.465 -20.993 -2.045 1.00 41.31 N ATOM 0 H ARG A 22 -0.227 -13.802 2.206 1.00 71.13 H new ATOM 0 HA ARG A 22 -0.314 -15.359 -0.301 1.00 0.31 H new ATOM 0 HB2 ARG A 22 1.042 -16.027 2.225 1.00 14.12 H new ATOM 0 HB3 ARG A 22 -0.140 -17.235 1.759 1.00 14.12 H new ATOM 0 HG2 ARG A 22 1.169 -16.769 -0.633 1.00 11.22 H new ATOM 0 HG3 ARG A 22 2.462 -16.566 0.532 1.00 11.22 H new ATOM 0 HD2 ARG A 22 2.330 -18.767 1.288 1.00 62.24 H new ATOM 0 HD3 ARG A 22 0.637 -18.930 0.866 1.00 62.24 H new ATOM 0 HE ARG A 22 2.117 -18.579 -1.549 1.00 62.23 H new ATOM 0 HH11 ARG A 22 1.672 -20.899 1.074 1.00 35.11 H new ATOM 0 HH12 ARG A 22 2.055 -22.294 0.060 1.00 35.11 H new ATOM 0 HH21 ARG A 22 2.611 -20.377 -2.845 1.00 41.31 H new ATOM 0 HH22 ARG A 22 2.584 -22.001 -2.149 1.00 41.31 H new ATOM 358 N PRO A 23 -2.494 -16.528 0.464 1.00 23.42 N ATOM 359 CA PRO A 23 -3.895 -16.883 0.711 1.00 13.52 C ATOM 360 C PRO A 23 -4.085 -17.605 2.040 1.00 33.12 C ATOM 361 O PRO A 23 -5.113 -17.453 2.699 1.00 43.20 O ATOM 362 CB PRO A 23 -4.236 -17.813 -0.456 1.00 11.21 C ATOM 363 CG PRO A 23 -2.929 -18.395 -0.872 1.00 12.43 C ATOM 364 CD PRO A 23 -1.902 -17.324 -0.625 1.00 53.01 C ATOM 0 HA PRO A 23 -4.534 -16.002 0.773 1.00 13.52 H new ATOM 0 HB2 PRO A 23 -4.936 -18.591 -0.151 1.00 11.21 H new ATOM 0 HB3 PRO A 23 -4.704 -17.266 -1.274 1.00 11.21 H new ATOM 0 HG2 PRO A 23 -2.702 -19.294 -0.298 1.00 12.43 H new ATOM 0 HG3 PRO A 23 -2.947 -18.684 -1.923 1.00 12.43 H new ATOM 0 HD2 PRO A 23 -0.941 -17.748 -0.336 1.00 53.01 H new ATOM 0 HD3 PRO A 23 -1.729 -16.720 -1.516 1.00 53.01 H new ATOM 372 N GLY A 24 -3.086 -18.391 2.430 1.00 73.42 N ATOM 373 CA GLY A 24 -3.164 -19.125 3.680 1.00 55.44 C ATOM 374 C GLY A 24 -2.119 -18.675 4.682 1.00 61.03 C ATOM 375 O GLY A 24 -1.888 -19.342 5.690 1.00 51.43 O ATOM 0 H GLY A 24 -2.224 -18.533 1.903 1.00 73.42 H new ATOM 0 HA2 GLY A 24 -4.156 -18.997 4.112 1.00 55.44 H new ATOM 0 HA3 GLY A 24 -3.038 -20.189 3.481 1.00 55.44 H new ATOM 379 N GLY A 25 -1.483 -17.541 4.403 1.00 61.24 N ATOM 380 CA GLY A 25 -0.462 -17.024 5.295 1.00 34.33 C ATOM 381 C GLY A 25 -1.020 -16.042 6.307 1.00 72.42 C ATOM 382 O GLY A 25 -2.219 -15.758 6.312 1.00 23.14 O ATOM 0 H GLY A 25 -1.657 -16.971 3.575 1.00 61.24 H new ATOM 0 HA2 GLY A 25 0.011 -17.854 5.821 1.00 34.33 H new ATOM 0 HA3 GLY A 25 0.315 -16.534 4.708 1.00 34.33 H new ATOM 386 N LYS A 26 -0.151 -15.523 7.166 1.00 30.34 N ATOM 387 CA LYS A 26 -0.562 -14.567 8.188 1.00 34.02 C ATOM 388 C LYS A 26 0.192 -13.251 8.036 1.00 44.30 C ATOM 389 O LYS A 26 -0.031 -12.304 8.791 1.00 3.24 O ATOM 390 CB LYS A 26 -0.323 -15.147 9.584 1.00 44.23 C ATOM 391 CG LYS A 26 -1.291 -16.255 9.956 1.00 12.05 C ATOM 392 CD LYS A 26 -0.559 -17.494 10.446 1.00 72.25 C ATOM 393 CE LYS A 26 -0.324 -17.447 11.947 1.00 21.23 C ATOM 394 NZ LYS A 26 -0.617 -18.755 12.596 1.00 10.14 N ATOM 0 H LYS A 26 0.844 -15.748 7.175 1.00 30.34 H new ATOM 0 HA LYS A 26 -1.627 -14.372 8.060 1.00 34.02 H new ATOM 0 HB2 LYS A 26 0.695 -15.532 9.639 1.00 44.23 H new ATOM 0 HB3 LYS A 26 -0.401 -14.346 10.319 1.00 44.23 H new ATOM 0 HG2 LYS A 26 -1.969 -15.901 10.732 1.00 12.05 H new ATOM 0 HG3 LYS A 26 -1.902 -16.511 9.091 1.00 12.05 H new ATOM 0 HD2 LYS A 26 -1.138 -18.383 10.195 1.00 72.25 H new ATOM 0 HD3 LYS A 26 0.397 -17.581 9.930 1.00 72.25 H new ATOM 0 HE2 LYS A 26 0.711 -17.168 12.144 1.00 21.23 H new ATOM 0 HE3 LYS A 26 -0.952 -16.674 12.389 1.00 21.23 H new ATOM 0 HZ1 LYS A 26 -0.444 -18.681 13.619 1.00 10.14 H new ATOM 0 HZ2 LYS A 26 -1.612 -19.010 12.430 1.00 10.14 H new ATOM 0 HZ3 LYS A 26 0.000 -19.489 12.193 1.00 10.14 H new ATOM 408 N LYS A 27 1.086 -13.196 7.054 1.00 42.52 N ATOM 409 CA LYS A 27 1.873 -11.994 6.801 1.00 72.10 C ATOM 410 C LYS A 27 1.055 -10.960 6.033 1.00 72.21 C ATOM 411 O LYS A 27 0.547 -11.237 4.946 1.00 72.23 O ATOM 412 CB LYS A 27 3.138 -12.344 6.015 1.00 41.13 C ATOM 413 CG LYS A 27 4.124 -13.195 6.797 1.00 2.54 C ATOM 414 CD LYS A 27 5.557 -12.918 6.373 1.00 21.24 C ATOM 415 CE LYS A 27 6.323 -14.208 6.124 1.00 35.50 C ATOM 416 NZ LYS A 27 7.746 -14.099 6.547 1.00 30.44 N ATOM 0 H LYS A 27 1.284 -13.970 6.420 1.00 42.52 H new ATOM 0 HA LYS A 27 2.157 -11.566 7.763 1.00 72.10 H new ATOM 0 HB2 LYS A 27 2.855 -12.874 5.105 1.00 41.13 H new ATOM 0 HB3 LYS A 27 3.631 -11.422 5.707 1.00 41.13 H new ATOM 0 HG2 LYS A 27 4.014 -12.995 7.863 1.00 2.54 H new ATOM 0 HG3 LYS A 27 3.896 -14.250 6.645 1.00 2.54 H new ATOM 0 HD2 LYS A 27 5.559 -12.312 5.467 1.00 21.24 H new ATOM 0 HD3 LYS A 27 6.061 -12.338 7.146 1.00 21.24 H new ATOM 0 HE2 LYS A 27 5.845 -15.024 6.665 1.00 35.50 H new ATOM 0 HE3 LYS A 27 6.277 -14.458 5.064 1.00 35.50 H new ATOM 0 HZ1 LYS A 27 8.233 -14.999 6.361 1.00 30.44 H new ATOM 0 HZ2 LYS A 27 8.210 -13.337 6.012 1.00 30.44 H new ATOM 0 HZ3 LYS A 27 7.791 -13.885 7.564 1.00 30.44 H new ATOM 430 N LYS A 28 0.930 -9.768 6.604 1.00 4.31 N ATOM 431 CA LYS A 28 0.177 -8.690 5.974 1.00 65.45 C ATOM 432 C LYS A 28 1.116 -7.641 5.387 1.00 51.31 C ATOM 433 O LYS A 28 2.206 -7.409 5.908 1.00 3.25 O ATOM 434 CB LYS A 28 -0.765 -8.038 6.987 1.00 54.11 C ATOM 435 CG LYS A 28 -1.538 -9.037 7.831 1.00 62.23 C ATOM 436 CD LYS A 28 -2.365 -8.343 8.899 1.00 34.24 C ATOM 437 CE LYS A 28 -2.385 -9.141 10.195 1.00 43.23 C ATOM 438 NZ LYS A 28 -1.427 -8.596 11.195 1.00 22.14 N ATOM 0 H LYS A 28 1.342 -9.523 7.505 1.00 4.31 H new ATOM 0 HA LYS A 28 -0.413 -9.118 5.163 1.00 65.45 H new ATOM 0 HB2 LYS A 28 -0.185 -7.391 7.645 1.00 54.11 H new ATOM 0 HB3 LYS A 28 -1.472 -7.401 6.455 1.00 54.11 H new ATOM 0 HG2 LYS A 28 -2.192 -9.627 7.189 1.00 62.23 H new ATOM 0 HG3 LYS A 28 -0.843 -9.731 8.302 1.00 62.23 H new ATOM 0 HD2 LYS A 28 -1.957 -7.350 9.088 1.00 34.24 H new ATOM 0 HD3 LYS A 28 -3.385 -8.206 8.539 1.00 34.24 H new ATOM 0 HE2 LYS A 28 -3.392 -9.130 10.613 1.00 43.23 H new ATOM 0 HE3 LYS A 28 -2.138 -10.182 9.985 1.00 43.23 H new ATOM 0 HZ1 LYS A 28 -1.470 -9.166 12.064 1.00 22.14 H new ATOM 0 HZ2 LYS A 28 -0.463 -8.629 10.806 1.00 22.14 H new ATOM 0 HZ3 LYS A 28 -1.678 -7.611 11.415 1.00 22.14 H new ATOM 452 N TYR A 29 0.684 -7.008 4.301 1.00 14.34 N ATOM 453 CA TYR A 29 1.486 -5.983 3.644 1.00 31.30 C ATOM 454 C TYR A 29 1.771 -4.823 4.592 1.00 11.11 C ATOM 455 O TYR A 29 0.903 -4.406 5.360 1.00 54.04 O ATOM 456 CB TYR A 29 0.771 -5.470 2.393 1.00 74.30 C ATOM 457 CG TYR A 29 1.085 -6.266 1.147 1.00 21.01 C ATOM 458 CD1 TYR A 29 2.353 -6.233 0.579 1.00 33.32 C ATOM 459 CD2 TYR A 29 0.114 -7.050 0.535 1.00 3.35 C ATOM 460 CE1 TYR A 29 2.645 -6.958 -0.560 1.00 63.32 C ATOM 461 CE2 TYR A 29 0.398 -7.779 -0.604 1.00 31.24 C ATOM 462 CZ TYR A 29 1.665 -7.730 -1.147 1.00 12.24 C ATOM 463 OH TYR A 29 1.950 -8.453 -2.282 1.00 22.42 O ATOM 0 H TYR A 29 -0.217 -7.187 3.858 1.00 14.34 H new ATOM 0 HA TYR A 29 2.436 -6.432 3.353 1.00 31.30 H new ATOM 0 HB2 TYR A 29 -0.305 -5.491 2.566 1.00 74.30 H new ATOM 0 HB3 TYR A 29 1.047 -4.429 2.228 1.00 74.30 H new ATOM 0 HD1 TYR A 29 3.124 -5.630 1.036 1.00 33.32 H new ATOM 0 HD2 TYR A 29 -0.879 -7.090 0.957 1.00 3.35 H new ATOM 0 HE1 TYR A 29 3.636 -6.920 -0.988 1.00 63.32 H new ATOM 0 HE2 TYR A 29 -0.368 -8.384 -1.067 1.00 31.24 H new ATOM 0 HH TYR A 29 2.896 -8.709 -2.278 1.00 22.42 H new ATOM 473 N ARG A 30 2.994 -4.305 4.533 1.00 55.03 N ATOM 474 CA ARG A 30 3.395 -3.193 5.386 1.00 55.45 C ATOM 475 C ARG A 30 4.484 -2.360 4.717 1.00 24.24 C ATOM 476 O ARG A 30 5.030 -2.748 3.683 1.00 63.32 O ATOM 477 CB ARG A 30 3.891 -3.712 6.736 1.00 15.55 C ATOM 478 CG ARG A 30 3.106 -3.173 7.921 1.00 10.23 C ATOM 479 CD ARG A 30 2.546 -4.297 8.778 1.00 73.53 C ATOM 480 NE ARG A 30 2.362 -3.889 10.167 1.00 24.43 N ATOM 481 CZ ARG A 30 3.353 -3.821 11.051 1.00 71.32 C ATOM 482 NH1 ARG A 30 4.590 -4.134 10.689 1.00 21.21 N ATOM 483 NH2 ARG A 30 3.107 -3.440 12.297 1.00 32.23 N ATOM 0 H ARG A 30 3.724 -4.638 3.903 1.00 55.03 H new ATOM 0 HA ARG A 30 2.524 -2.558 5.547 1.00 55.45 H new ATOM 0 HB2 ARG A 30 3.836 -4.801 6.740 1.00 15.55 H new ATOM 0 HB3 ARG A 30 4.941 -3.445 6.855 1.00 15.55 H new ATOM 0 HG2 ARG A 30 3.752 -2.539 8.528 1.00 10.23 H new ATOM 0 HG3 ARG A 30 2.289 -2.546 7.563 1.00 10.23 H new ATOM 0 HD2 ARG A 30 1.591 -4.624 8.367 1.00 73.53 H new ATOM 0 HD3 ARG A 30 3.220 -5.153 8.738 1.00 73.53 H new ATOM 0 HE ARG A 30 1.422 -3.643 10.477 1.00 24.43 H new ATOM 0 HH11 ARG A 30 4.782 -4.427 9.731 1.00 21.21 H new ATOM 0 HH12 ARG A 30 5.349 -4.081 11.368 1.00 21.21 H new ATOM 0 HH21 ARG A 30 2.157 -3.199 12.578 1.00 32.23 H new ATOM 0 HH22 ARG A 30 3.868 -3.388 12.974 1.00 32.23 H new ATOM 497 N LEU A 31 4.796 -1.215 5.313 1.00 3.32 N ATOM 498 CA LEU A 31 5.821 -0.327 4.776 1.00 1.01 C ATOM 499 C LEU A 31 7.099 -1.097 4.461 1.00 22.55 C ATOM 500 O LEU A 31 7.811 -0.779 3.509 1.00 50.40 O ATOM 501 CB LEU A 31 6.120 0.798 5.768 1.00 3.32 C ATOM 502 CG LEU A 31 4.988 1.796 6.015 1.00 44.33 C ATOM 503 CD1 LEU A 31 5.006 2.280 7.456 1.00 23.41 C ATOM 504 CD2 LEU A 31 5.095 2.972 5.054 1.00 65.23 C ATOM 0 H LEU A 31 4.354 -0.879 6.169 1.00 3.32 H new ATOM 0 HA LEU A 31 5.443 0.105 3.850 1.00 1.01 H new ATOM 0 HB2 LEU A 31 6.396 0.349 6.722 1.00 3.32 H new ATOM 0 HB3 LEU A 31 6.990 1.348 5.411 1.00 3.32 H new ATOM 0 HG LEU A 31 4.039 1.290 5.836 1.00 44.33 H new ATOM 0 HD11 LEU A 31 4.193 2.989 7.612 1.00 23.41 H new ATOM 0 HD12 LEU A 31 4.880 1.430 8.127 1.00 23.41 H new ATOM 0 HD13 LEU A 31 5.958 2.768 7.664 1.00 23.41 H new ATOM 0 HD21 LEU A 31 4.282 3.672 5.244 1.00 65.23 H new ATOM 0 HD22 LEU A 31 6.050 3.476 5.201 1.00 65.23 H new ATOM 0 HD23 LEU A 31 5.030 2.610 4.028 1.00 65.23 H new ATOM 516 N LYS A 32 7.384 -2.114 5.267 1.00 32.31 N ATOM 517 CA LYS A 32 8.574 -2.934 5.074 1.00 4.24 C ATOM 518 C LYS A 32 8.659 -3.441 3.639 1.00 32.32 C ATOM 519 O LYS A 32 9.735 -3.467 3.042 1.00 52.34 O ATOM 520 CB LYS A 32 8.566 -4.117 6.045 1.00 62.11 C ATOM 521 CG LYS A 32 9.878 -4.883 6.081 1.00 53.31 C ATOM 522 CD LYS A 32 10.904 -4.192 6.963 1.00 52.11 C ATOM 523 CE LYS A 32 12.298 -4.760 6.747 1.00 1.20 C ATOM 524 NZ LYS A 32 12.862 -4.358 5.429 1.00 61.24 N ATOM 0 H LYS A 32 6.806 -2.390 6.061 1.00 32.31 H new ATOM 0 HA LYS A 32 9.448 -2.314 5.273 1.00 4.24 H new ATOM 0 HB2 LYS A 32 8.340 -3.752 7.047 1.00 62.11 H new ATOM 0 HB3 LYS A 32 7.764 -4.800 5.766 1.00 62.11 H new ATOM 0 HG2 LYS A 32 9.701 -5.893 6.451 1.00 53.31 H new ATOM 0 HG3 LYS A 32 10.272 -4.979 5.069 1.00 53.31 H new ATOM 0 HD2 LYS A 32 10.908 -3.123 6.749 1.00 52.11 H new ATOM 0 HD3 LYS A 32 10.622 -4.306 8.010 1.00 52.11 H new ATOM 0 HE2 LYS A 32 12.958 -4.417 7.544 1.00 1.20 H new ATOM 0 HE3 LYS A 32 12.261 -5.848 6.810 1.00 1.20 H new ATOM 0 HZ1 LYS A 32 13.886 -4.541 5.419 1.00 61.24 H new ATOM 0 HZ2 LYS A 32 12.405 -4.908 4.674 1.00 61.24 H new ATOM 0 HZ3 LYS A 32 12.690 -3.344 5.272 1.00 61.24 H new ATOM 538 N HIS A 33 7.517 -3.843 3.090 1.00 55.14 N ATOM 539 CA HIS A 33 7.460 -4.347 1.722 1.00 64.42 C ATOM 540 C HIS A 33 7.567 -3.204 0.717 1.00 42.13 C ATOM 541 O HIS A 33 8.091 -3.453 -0.370 1.00 32.01 O ATOM 542 CB HIS A 33 6.163 -5.122 1.494 1.00 71.53 C ATOM 543 CG HIS A 33 5.935 -6.217 2.491 1.00 64.33 C ATOM 544 ND1 HIS A 33 4.922 -6.187 3.424 1.00 54.00 N ATOM 545 CD2 HIS A 33 6.599 -7.379 2.695 1.00 71.11 C ATOM 546 CE1 HIS A 33 4.971 -7.283 4.160 1.00 22.25 C ATOM 547 NE2 HIS A 33 5.980 -8.023 3.738 1.00 62.13 N ATOM 0 H HIS A 33 6.618 -3.830 3.572 1.00 55.14 H new ATOM 0 HA HIS A 33 8.306 -5.019 1.574 1.00 64.42 H new ATOM 0 HB2 HIS A 33 5.324 -4.428 1.531 1.00 71.53 H new ATOM 0 HB3 HIS A 33 6.178 -5.551 0.492 1.00 71.53 H new ATOM 0 HD2 HIS A 33 7.456 -7.733 2.141 1.00 71.11 H new ATOM 0 HE1 HIS A 33 4.300 -7.531 4.969 1.00 22.25 H new ATOM 0 HE2 HIS A 33 6.255 -8.926 4.124 1.00 62.13 H new ATOM 555 N ILE A 34 7.103 -2.001 1.038 1.00 35.41 N ATOM 556 CA ILE A 34 7.183 -0.880 0.111 1.00 5.30 C ATOM 557 C ILE A 34 8.622 -0.396 -0.043 1.00 2.42 C ATOM 558 O ILE A 34 9.055 -0.038 -1.138 1.00 14.41 O ATOM 559 CB ILE A 34 6.305 0.298 0.573 1.00 21.14 C ATOM 560 CG1 ILE A 34 4.923 -0.205 0.996 1.00 75.02 C ATOM 561 CG2 ILE A 34 6.182 1.334 -0.535 1.00 32.25 C ATOM 562 CD1 ILE A 34 3.978 0.902 1.408 1.00 33.04 C ATOM 0 H ILE A 34 6.668 -1.778 1.933 1.00 35.41 H new ATOM 0 HA ILE A 34 6.817 -1.240 -0.851 1.00 5.30 H new ATOM 0 HB ILE A 34 6.779 0.771 1.433 1.00 21.14 H new ATOM 0 HG12 ILE A 34 4.480 -0.762 0.171 1.00 75.02 H new ATOM 0 HG13 ILE A 34 5.037 -0.902 1.826 1.00 75.02 H new ATOM 0 HG21 ILE A 34 5.559 2.160 -0.193 1.00 32.25 H new ATOM 0 HG22 ILE A 34 7.172 1.709 -0.794 1.00 32.25 H new ATOM 0 HG23 ILE A 34 5.727 0.875 -1.413 1.00 32.25 H new ATOM 0 HD11 ILE A 34 3.018 0.473 1.695 1.00 33.04 H new ATOM 0 HD12 ILE A 34 4.400 1.445 2.254 1.00 33.04 H new ATOM 0 HD13 ILE A 34 3.834 1.587 0.573 1.00 33.04 H new ATOM 574 N VAL A 35 9.359 -0.389 1.063 1.00 21.32 N ATOM 575 CA VAL A 35 10.751 0.048 1.052 1.00 35.44 C ATOM 576 C VAL A 35 11.618 -0.902 0.232 1.00 12.30 C ATOM 577 O VAL A 35 12.534 -0.472 -0.468 1.00 54.13 O ATOM 578 CB VAL A 35 11.320 0.142 2.480 1.00 60.02 C ATOM 579 CG1 VAL A 35 12.786 0.546 2.445 1.00 44.14 C ATOM 580 CG2 VAL A 35 10.509 1.123 3.313 1.00 41.20 C ATOM 0 H VAL A 35 9.016 -0.681 1.978 1.00 21.32 H new ATOM 0 HA VAL A 35 10.770 1.038 0.596 1.00 35.44 H new ATOM 0 HB VAL A 35 11.249 -0.841 2.946 1.00 60.02 H new ATOM 0 HG11 VAL A 35 13.171 0.607 3.463 1.00 44.14 H new ATOM 0 HG12 VAL A 35 13.355 -0.197 1.886 1.00 44.14 H new ATOM 0 HG13 VAL A 35 12.884 1.518 1.961 1.00 44.14 H new ATOM 0 HG21 VAL A 35 10.925 1.177 4.319 1.00 41.20 H new ATOM 0 HG22 VAL A 35 10.546 2.110 2.852 1.00 41.20 H new ATOM 0 HG23 VAL A 35 9.474 0.786 3.366 1.00 41.20 H new ATOM 590 N TRP A 36 11.322 -2.193 0.325 1.00 4.34 N ATOM 591 CA TRP A 36 12.075 -3.203 -0.409 1.00 62.41 C ATOM 592 C TRP A 36 11.718 -3.179 -1.891 1.00 63.11 C ATOM 593 O TRP A 36 12.524 -3.560 -2.739 1.00 72.21 O ATOM 594 CB TRP A 36 11.803 -4.593 0.171 1.00 45.42 C ATOM 595 CG TRP A 36 12.481 -5.695 -0.586 1.00 20.11 C ATOM 596 CD1 TRP A 36 13.640 -6.330 -0.244 1.00 72.44 C ATOM 597 CD2 TRP A 36 12.041 -6.289 -1.812 1.00 12.34 C ATOM 598 NE1 TRP A 36 13.947 -7.284 -1.185 1.00 31.52 N ATOM 599 CE2 TRP A 36 12.981 -7.279 -2.156 1.00 31.55 C ATOM 600 CE3 TRP A 36 10.942 -6.082 -2.651 1.00 63.54 C ATOM 601 CZ2 TRP A 36 12.856 -8.058 -3.303 1.00 2.11 C ATOM 602 CZ3 TRP A 36 10.819 -6.855 -3.790 1.00 24.43 C ATOM 603 CH2 TRP A 36 11.771 -7.835 -4.107 1.00 4.40 C ATOM 0 H TRP A 36 10.567 -2.565 0.901 1.00 4.34 H new ATOM 0 HA TRP A 36 13.136 -2.975 -0.306 1.00 62.41 H new ATOM 0 HB2 TRP A 36 12.135 -4.617 1.209 1.00 45.42 H new ATOM 0 HB3 TRP A 36 10.728 -4.773 0.176 1.00 45.42 H new ATOM 0 HD1 TRP A 36 14.229 -6.115 0.636 1.00 72.44 H new ATOM 0 HE1 TRP A 36 14.762 -7.897 -1.164 1.00 31.52 H new ATOM 0 HE3 TRP A 36 10.203 -5.332 -2.413 1.00 63.54 H new ATOM 0 HZ2 TRP A 36 13.589 -8.812 -3.550 1.00 2.11 H new ATOM 0 HZ3 TRP A 36 9.976 -6.702 -4.447 1.00 24.43 H new ATOM 0 HH2 TRP A 36 11.645 -8.425 -5.003 1.00 4.40 H new ATOM 614 N ALA A 37 10.506 -2.727 -2.195 1.00 53.24 N ATOM 615 CA ALA A 37 10.044 -2.651 -3.576 1.00 41.12 C ATOM 616 C ALA A 37 10.681 -1.472 -4.304 1.00 0.23 C ATOM 617 O ALA A 37 11.285 -1.638 -5.363 1.00 52.43 O ATOM 618 CB ALA A 37 8.527 -2.543 -3.619 1.00 45.34 C ATOM 0 H ALA A 37 9.827 -2.408 -1.504 1.00 53.24 H new ATOM 0 HA ALA A 37 10.347 -3.566 -4.086 1.00 41.12 H new ATOM 0 HB1 ALA A 37 8.195 -2.487 -4.656 1.00 45.34 H new ATOM 0 HB2 ALA A 37 8.086 -3.419 -3.144 1.00 45.34 H new ATOM 0 HB3 ALA A 37 8.211 -1.645 -3.088 1.00 45.34 H new ATOM 624 N ALA A 38 10.543 -0.282 -3.728 1.00 64.12 N ATOM 625 CA ALA A 38 11.107 0.924 -4.322 1.00 73.21 C ATOM 626 C ALA A 38 12.590 0.745 -4.626 1.00 21.44 C ATOM 627 O ALA A 38 13.080 1.194 -5.660 1.00 70.43 O ATOM 628 CB ALA A 38 10.895 2.115 -3.400 1.00 34.04 C ATOM 0 H ALA A 38 10.046 -0.127 -2.851 1.00 64.12 H new ATOM 0 HA ALA A 38 10.591 1.111 -5.264 1.00 73.21 H new ATOM 0 HB1 ALA A 38 11.321 3.009 -3.856 1.00 34.04 H new ATOM 0 HB2 ALA A 38 9.827 2.264 -3.238 1.00 34.04 H new ATOM 0 HB3 ALA A 38 11.384 1.927 -2.444 1.00 34.04 H new ATOM 634 N ASN A 39 13.301 0.086 -3.715 1.00 53.13 N ATOM 635 CA ASN A 39 14.729 -0.152 -3.885 1.00 62.13 C ATOM 636 C ASN A 39 14.996 -1.001 -5.124 1.00 10.12 C ATOM 637 O ASN A 39 16.059 -0.908 -5.738 1.00 3.33 O ATOM 638 CB ASN A 39 15.304 -0.843 -2.646 1.00 51.54 C ATOM 639 CG ASN A 39 16.673 -0.309 -2.271 1.00 15.14 C ATOM 640 OD1 ASN A 39 17.653 -1.052 -2.236 1.00 70.33 O ATOM 641 ND2 ASN A 39 16.745 0.986 -1.984 1.00 72.43 N ATOM 0 H ASN A 39 12.910 -0.292 -2.852 1.00 53.13 H new ATOM 0 HA ASN A 39 15.219 0.813 -4.015 1.00 62.13 H new ATOM 0 HB2 ASN A 39 14.621 -0.707 -1.807 1.00 51.54 H new ATOM 0 HB3 ASN A 39 15.373 -1.915 -2.830 1.00 51.54 H new ATOM 0 HD21 ASN A 39 17.639 1.401 -1.722 1.00 72.43 H new ATOM 0 HD22 ASN A 39 15.906 1.565 -2.026 1.00 72.43 H new ATOM 648 N LYS A 40 14.023 -1.830 -5.488 1.00 1.33 N ATOM 649 CA LYS A 40 14.149 -2.695 -6.654 1.00 64.14 C ATOM 650 C LYS A 40 14.048 -1.887 -7.944 1.00 60.12 C ATOM 651 O LYS A 40 14.802 -2.113 -8.891 1.00 21.12 O ATOM 652 CB LYS A 40 13.069 -3.777 -6.631 1.00 31.41 C ATOM 653 CG LYS A 40 13.617 -5.187 -6.765 1.00 62.43 C ATOM 654 CD LYS A 40 14.058 -5.745 -5.423 1.00 3.14 C ATOM 655 CE LYS A 40 15.561 -5.611 -5.229 1.00 61.33 C ATOM 656 NZ LYS A 40 15.921 -4.339 -4.544 1.00 23.32 N ATOM 0 H LYS A 40 13.137 -1.921 -4.991 1.00 1.33 H new ATOM 0 HA LYS A 40 15.130 -3.169 -6.619 1.00 64.14 H new ATOM 0 HB2 LYS A 40 12.510 -3.701 -5.698 1.00 31.41 H new ATOM 0 HB3 LYS A 40 12.364 -3.592 -7.441 1.00 31.41 H new ATOM 0 HG2 LYS A 40 12.854 -5.835 -7.196 1.00 62.43 H new ATOM 0 HG3 LYS A 40 14.461 -5.186 -7.454 1.00 62.43 H new ATOM 0 HD2 LYS A 40 13.539 -5.220 -4.621 1.00 3.14 H new ATOM 0 HD3 LYS A 40 13.773 -6.795 -5.353 1.00 3.14 H new ATOM 0 HE2 LYS A 40 15.928 -6.455 -4.645 1.00 61.33 H new ATOM 0 HE3 LYS A 40 16.058 -5.654 -6.198 1.00 61.33 H new ATOM 0 HZ1 LYS A 40 16.542 -3.776 -5.160 1.00 23.32 H new ATOM 0 HZ2 LYS A 40 15.056 -3.799 -4.338 1.00 23.32 H new ATOM 0 HZ3 LYS A 40 16.417 -4.552 -3.655 1.00 23.32 H new ATOM 670 N LEU A 41 13.113 -0.944 -7.974 1.00 33.21 N ATOM 671 CA LEU A 41 12.913 -0.102 -9.149 1.00 33.05 C ATOM 672 C LEU A 41 14.171 0.703 -9.460 1.00 50.22 C ATOM 673 O LEU A 41 14.713 0.623 -10.563 1.00 23.14 O ATOM 674 CB LEU A 41 11.730 0.843 -8.927 1.00 5.12 C ATOM 675 CG LEU A 41 10.395 0.180 -8.590 1.00 33.21 C ATOM 676 CD1 LEU A 41 9.347 1.230 -8.254 1.00 60.42 C ATOM 677 CD2 LEU A 41 9.927 -0.692 -9.745 1.00 74.41 C ATOM 0 H LEU A 41 12.481 -0.743 -7.199 1.00 33.21 H new ATOM 0 HA LEU A 41 12.698 -0.749 -9.999 1.00 33.05 H new ATOM 0 HB2 LEU A 41 11.986 1.529 -8.120 1.00 5.12 H new ATOM 0 HB3 LEU A 41 11.597 1.444 -9.827 1.00 5.12 H new ATOM 0 HG LEU A 41 10.537 -0.455 -7.715 1.00 33.21 H new ATOM 0 HD11 LEU A 41 8.403 0.739 -8.017 1.00 60.42 H new ATOM 0 HD12 LEU A 41 9.679 1.813 -7.395 1.00 60.42 H new ATOM 0 HD13 LEU A 41 9.207 1.891 -9.109 1.00 60.42 H new ATOM 0 HD21 LEU A 41 8.975 -1.156 -9.488 1.00 74.41 H new ATOM 0 HD22 LEU A 41 9.802 -0.078 -10.637 1.00 74.41 H new ATOM 0 HD23 LEU A 41 10.668 -1.467 -9.939 1.00 74.41 H new ATOM 689 N ASP A 42 14.630 1.476 -8.483 1.00 4.22 N ATOM 690 CA ASP A 42 15.826 2.294 -8.651 1.00 23.40 C ATOM 691 C ASP A 42 16.986 1.456 -9.181 1.00 12.21 C ATOM 692 O ASP A 42 17.631 1.822 -10.163 1.00 1.32 O ATOM 693 CB ASP A 42 16.216 2.945 -7.324 1.00 70.12 C ATOM 694 CG ASP A 42 15.566 4.301 -7.132 1.00 45.41 C ATOM 695 OD1 ASP A 42 15.941 5.247 -7.858 1.00 34.43 O ATOM 696 OD2 ASP A 42 14.683 4.417 -6.257 1.00 63.10 O ATOM 0 H ASP A 42 14.192 1.554 -7.565 1.00 4.22 H new ATOM 0 HA ASP A 42 15.603 3.075 -9.377 1.00 23.40 H new ATOM 0 HB2 ASP A 42 15.930 2.288 -6.502 1.00 70.12 H new ATOM 0 HB3 ASP A 42 17.300 3.055 -7.281 1.00 70.12 H new ATOM 701 N ARG A 43 17.245 0.331 -8.523 1.00 63.42 N ATOM 702 CA ARG A 43 18.329 -0.558 -8.927 1.00 14.12 C ATOM 703 C ARG A 43 18.100 -1.089 -10.339 1.00 72.30 C ATOM 704 O ARG A 43 18.935 -0.908 -11.224 1.00 64.34 O ATOM 705 CB ARG A 43 18.452 -1.725 -7.945 1.00 51.13 C ATOM 706 CG ARG A 43 19.889 -2.078 -7.597 1.00 43.20 C ATOM 707 CD ARG A 43 20.001 -3.501 -7.073 1.00 31.53 C ATOM 708 NE ARG A 43 19.601 -4.486 -8.074 1.00 24.05 N ATOM 709 CZ ARG A 43 19.883 -5.782 -7.984 1.00 43.44 C ATOM 710 NH1 ARG A 43 20.563 -6.245 -6.944 1.00 74.02 N ATOM 711 NH2 ARG A 43 19.485 -6.616 -8.935 1.00 53.42 N ATOM 0 H ARG A 43 16.720 0.013 -7.708 1.00 63.42 H new ATOM 0 HA ARG A 43 19.257 0.014 -8.919 1.00 14.12 H new ATOM 0 HB2 ARG A 43 17.916 -1.476 -7.029 1.00 51.13 H new ATOM 0 HB3 ARG A 43 17.965 -2.601 -8.372 1.00 51.13 H new ATOM 0 HG2 ARG A 43 20.517 -1.964 -8.480 1.00 43.20 H new ATOM 0 HG3 ARG A 43 20.264 -1.382 -6.847 1.00 43.20 H new ATOM 0 HD2 ARG A 43 21.029 -3.694 -6.765 1.00 31.53 H new ATOM 0 HD3 ARG A 43 19.376 -3.611 -6.186 1.00 31.53 H new ATOM 0 HE ARG A 43 19.077 -4.162 -8.887 1.00 24.05 H new ATOM 0 HH11 ARG A 43 20.871 -5.606 -6.211 1.00 74.02 H new ATOM 0 HH12 ARG A 43 20.778 -7.240 -6.877 1.00 74.02 H new ATOM 0 HH21 ARG A 43 18.962 -6.263 -9.737 1.00 53.42 H new ATOM 0 HH22 ARG A 43 19.702 -7.610 -8.865 1.00 53.42 H new ATOM 725 N PHE A 44 16.961 -1.745 -10.541 1.00 44.45 N ATOM 726 CA PHE A 44 16.622 -2.303 -11.846 1.00 5.05 C ATOM 727 C PHE A 44 16.808 -1.264 -12.947 1.00 51.13 C ATOM 728 O PHE A 44 17.415 -1.541 -13.980 1.00 51.53 O ATOM 729 CB PHE A 44 15.179 -2.812 -11.846 1.00 22.43 C ATOM 730 CG PHE A 44 15.048 -4.243 -11.411 1.00 25.31 C ATOM 731 CD1 PHE A 44 15.779 -5.241 -12.036 1.00 72.12 C ATOM 732 CD2 PHE A 44 14.195 -4.591 -10.375 1.00 61.14 C ATOM 733 CE1 PHE A 44 15.659 -6.559 -11.638 1.00 23.01 C ATOM 734 CE2 PHE A 44 14.072 -5.907 -9.973 1.00 32.34 C ATOM 735 CZ PHE A 44 14.806 -6.893 -10.604 1.00 42.51 C ATOM 0 H PHE A 44 16.258 -1.903 -9.819 1.00 44.45 H new ATOM 0 HA PHE A 44 17.295 -3.138 -12.043 1.00 5.05 H new ATOM 0 HB2 PHE A 44 14.581 -2.184 -11.186 1.00 22.43 H new ATOM 0 HB3 PHE A 44 14.765 -2.706 -12.849 1.00 22.43 H new ATOM 0 HD1 PHE A 44 16.450 -4.986 -12.843 1.00 72.12 H new ATOM 0 HD2 PHE A 44 13.620 -3.825 -9.877 1.00 61.14 H new ATOM 0 HE1 PHE A 44 16.232 -7.328 -12.135 1.00 23.01 H new ATOM 0 HE2 PHE A 44 13.402 -6.165 -9.166 1.00 32.34 H new ATOM 0 HZ PHE A 44 14.713 -7.922 -10.290 1.00 42.51 H new ATOM 745 N GLY A 45 16.278 -0.066 -12.718 1.00 23.33 N ATOM 746 CA GLY A 45 16.395 0.997 -13.700 1.00 22.24 C ATOM 747 C GLY A 45 15.142 1.845 -13.786 1.00 54.43 C ATOM 748 O GLY A 45 15.123 2.870 -14.471 1.00 60.11 O ATOM 0 H GLY A 45 15.770 0.187 -11.871 1.00 23.33 H new ATOM 0 HA2 GLY A 45 17.243 1.632 -13.445 1.00 22.24 H new ATOM 0 HA3 GLY A 45 16.605 0.563 -14.678 1.00 22.24 H new ATOM 752 N LEU A 46 14.091 1.420 -13.093 1.00 62.34 N ATOM 753 CA LEU A 46 12.827 2.148 -13.096 1.00 33.21 C ATOM 754 C LEU A 46 12.781 3.164 -11.960 1.00 44.24 C ATOM 755 O LEU A 46 13.593 3.115 -11.036 1.00 72.12 O ATOM 756 CB LEU A 46 11.655 1.173 -12.970 1.00 62.14 C ATOM 757 CG LEU A 46 11.327 0.353 -14.219 1.00 61.34 C ATOM 758 CD1 LEU A 46 11.248 -1.127 -13.880 1.00 60.41 C ATOM 759 CD2 LEU A 46 10.024 0.830 -14.844 1.00 2.14 C ATOM 0 H LEU A 46 14.089 0.575 -12.522 1.00 62.34 H new ATOM 0 HA LEU A 46 12.747 2.684 -14.042 1.00 33.21 H new ATOM 0 HB2 LEU A 46 11.868 0.484 -12.153 1.00 62.14 H new ATOM 0 HB3 LEU A 46 10.767 1.738 -12.687 1.00 62.14 H new ATOM 0 HG LEU A 46 12.128 0.496 -14.945 1.00 61.34 H new ATOM 0 HD11 LEU A 46 11.014 -1.695 -14.781 1.00 60.41 H new ATOM 0 HD12 LEU A 46 12.206 -1.460 -13.480 1.00 60.41 H new ATOM 0 HD13 LEU A 46 10.468 -1.289 -13.136 1.00 60.41 H new ATOM 0 HD21 LEU A 46 9.807 0.235 -15.731 1.00 2.14 H new ATOM 0 HD22 LEU A 46 9.213 0.718 -14.125 1.00 2.14 H new ATOM 0 HD23 LEU A 46 10.118 1.879 -15.125 1.00 2.14 H new ATOM 771 N ALA A 47 11.825 4.085 -12.035 1.00 60.25 N ATOM 772 CA ALA A 47 11.671 5.110 -11.011 1.00 42.52 C ATOM 773 C ALA A 47 10.806 4.610 -9.859 1.00 54.42 C ATOM 774 O ALA A 47 10.293 3.493 -9.897 1.00 32.02 O ATOM 775 CB ALA A 47 11.072 6.373 -11.615 1.00 21.44 C ATOM 0 H ALA A 47 11.146 4.142 -12.794 1.00 60.25 H new ATOM 0 HA ALA A 47 12.659 5.343 -10.614 1.00 42.52 H new ATOM 0 HB1 ALA A 47 10.962 7.131 -10.839 1.00 21.44 H new ATOM 0 HB2 ALA A 47 11.730 6.749 -12.399 1.00 21.44 H new ATOM 0 HB3 ALA A 47 10.095 6.145 -12.040 1.00 21.44 H new ATOM 781 N GLU A 48 10.649 5.446 -8.837 1.00 2.01 N ATOM 782 CA GLU A 48 9.847 5.087 -7.674 1.00 52.01 C ATOM 783 C GLU A 48 8.480 5.764 -7.724 1.00 45.44 C ATOM 784 O GLU A 48 7.509 5.269 -7.154 1.00 3.31 O ATOM 785 CB GLU A 48 10.573 5.477 -6.385 1.00 24.10 C ATOM 786 CG GLU A 48 10.833 6.968 -6.260 1.00 43.23 C ATOM 787 CD GLU A 48 11.794 7.301 -5.134 1.00 55.54 C ATOM 788 OE1 GLU A 48 12.359 6.361 -4.539 1.00 33.34 O ATOM 789 OE2 GLU A 48 11.978 8.503 -4.849 1.00 41.44 O ATOM 0 H GLU A 48 11.066 6.376 -8.791 1.00 2.01 H new ATOM 0 HA GLU A 48 9.699 4.007 -7.688 1.00 52.01 H new ATOM 0 HB2 GLU A 48 9.982 5.147 -5.531 1.00 24.10 H new ATOM 0 HB3 GLU A 48 11.524 4.946 -6.339 1.00 24.10 H new ATOM 0 HG2 GLU A 48 11.237 7.342 -7.200 1.00 43.23 H new ATOM 0 HG3 GLU A 48 9.888 7.485 -6.091 1.00 43.23 H new ATOM 796 N SER A 49 8.415 6.900 -8.412 1.00 12.22 N ATOM 797 CA SER A 49 7.169 7.648 -8.535 1.00 62.12 C ATOM 798 C SER A 49 6.127 6.845 -9.306 1.00 14.15 C ATOM 799 O SER A 49 4.939 7.171 -9.290 1.00 1.14 O ATOM 800 CB SER A 49 7.420 8.985 -9.235 1.00 12.33 C ATOM 801 OG SER A 49 6.233 9.755 -9.305 1.00 32.13 O ATOM 0 H SER A 49 9.210 7.322 -8.892 1.00 12.22 H new ATOM 0 HA SER A 49 6.787 7.837 -7.532 1.00 62.12 H new ATOM 0 HB2 SER A 49 8.187 9.542 -8.697 1.00 12.33 H new ATOM 0 HB3 SER A 49 7.801 8.807 -10.240 1.00 12.33 H new ATOM 0 HG SER A 49 5.455 9.160 -9.275 1.00 32.13 H new ATOM 807 N LEU A 50 6.579 5.793 -9.979 1.00 52.44 N ATOM 808 CA LEU A 50 5.686 4.941 -10.758 1.00 4.42 C ATOM 809 C LEU A 50 4.840 4.061 -9.843 1.00 70.25 C ATOM 810 O LEU A 50 3.910 3.391 -10.296 1.00 11.55 O ATOM 811 CB LEU A 50 6.492 4.070 -11.722 1.00 23.54 C ATOM 812 CG LEU A 50 7.540 4.795 -12.568 1.00 33.51 C ATOM 813 CD1 LEU A 50 8.650 3.840 -12.977 1.00 33.01 C ATOM 814 CD2 LEU A 50 6.893 5.421 -13.794 1.00 40.13 C ATOM 0 H LEU A 50 7.558 5.509 -10.001 1.00 52.44 H new ATOM 0 HA LEU A 50 5.019 5.584 -11.332 1.00 4.42 H new ATOM 0 HB2 LEU A 50 6.994 3.294 -11.145 1.00 23.54 H new ATOM 0 HB3 LEU A 50 5.796 3.568 -12.394 1.00 23.54 H new ATOM 0 HG LEU A 50 7.979 5.591 -11.966 1.00 33.51 H new ATOM 0 HD11 LEU A 50 9.386 4.374 -13.578 1.00 33.01 H new ATOM 0 HD12 LEU A 50 9.132 3.439 -12.085 1.00 33.01 H new ATOM 0 HD13 LEU A 50 8.229 3.022 -13.561 1.00 33.01 H new ATOM 0 HD21 LEU A 50 7.653 5.933 -14.385 1.00 40.13 H new ATOM 0 HD22 LEU A 50 6.428 4.642 -14.398 1.00 40.13 H new ATOM 0 HD23 LEU A 50 6.134 6.138 -13.479 1.00 40.13 H new ATOM 826 N LEU A 51 5.166 4.069 -8.556 1.00 65.42 N ATOM 827 CA LEU A 51 4.434 3.272 -7.577 1.00 45.41 C ATOM 828 C LEU A 51 3.221 4.033 -7.053 1.00 54.34 C ATOM 829 O LEU A 51 2.367 3.466 -6.374 1.00 30.44 O ATOM 830 CB LEU A 51 5.352 2.889 -6.414 1.00 54.12 C ATOM 831 CG LEU A 51 6.040 1.528 -6.522 1.00 55.13 C ATOM 832 CD1 LEU A 51 7.033 1.340 -5.386 1.00 4.52 C ATOM 833 CD2 LEU A 51 5.009 0.408 -6.523 1.00 22.30 C ATOM 0 H LEU A 51 5.932 4.618 -8.165 1.00 65.42 H new ATOM 0 HA LEU A 51 4.085 2.365 -8.071 1.00 45.41 H new ATOM 0 HB2 LEU A 51 6.121 3.656 -6.317 1.00 54.12 H new ATOM 0 HB3 LEU A 51 4.767 2.906 -5.495 1.00 54.12 H new ATOM 0 HG LEU A 51 6.587 1.492 -7.464 1.00 55.13 H new ATOM 0 HD11 LEU A 51 7.513 0.366 -5.480 1.00 4.52 H new ATOM 0 HD12 LEU A 51 7.790 2.123 -5.431 1.00 4.52 H new ATOM 0 HD13 LEU A 51 6.509 1.396 -4.432 1.00 4.52 H new ATOM 0 HD21 LEU A 51 5.516 -0.554 -6.601 1.00 22.30 H new ATOM 0 HD22 LEU A 51 4.434 0.442 -5.597 1.00 22.30 H new ATOM 0 HD23 LEU A 51 4.337 0.533 -7.372 1.00 22.30 H new ATOM 845 N GLU A 52 3.152 5.321 -7.376 1.00 74.24 N ATOM 846 CA GLU A 52 2.042 6.159 -6.939 1.00 50.10 C ATOM 847 C GLU A 52 1.185 6.591 -8.126 1.00 31.33 C ATOM 848 O GLU A 52 0.501 7.613 -8.073 1.00 62.22 O ATOM 849 CB GLU A 52 2.565 7.393 -6.199 1.00 32.42 C ATOM 850 CG GLU A 52 3.478 8.266 -7.043 1.00 3.44 C ATOM 851 CD GLU A 52 3.689 9.641 -6.440 1.00 44.31 C ATOM 852 OE1 GLU A 52 4.169 9.717 -5.289 1.00 61.03 O ATOM 853 OE2 GLU A 52 3.374 10.641 -7.118 1.00 2.20 O ATOM 0 H GLU A 52 3.851 5.806 -7.938 1.00 74.24 H new ATOM 0 HA GLU A 52 1.423 5.572 -6.260 1.00 50.10 H new ATOM 0 HB2 GLU A 52 1.718 7.989 -5.860 1.00 32.42 H new ATOM 0 HB3 GLU A 52 3.105 7.071 -5.309 1.00 32.42 H new ATOM 0 HG2 GLU A 52 4.443 7.772 -7.158 1.00 3.44 H new ATOM 0 HG3 GLU A 52 3.053 8.372 -8.041 1.00 3.44 H new ATOM 860 N SER A 53 1.228 5.803 -9.196 1.00 54.35 N ATOM 861 CA SER A 53 0.460 6.105 -10.398 1.00 1.20 C ATOM 862 C SER A 53 -0.094 4.828 -11.024 1.00 70.01 C ATOM 863 O SER A 53 0.660 3.944 -11.431 1.00 51.44 O ATOM 864 CB SER A 53 1.331 6.847 -11.413 1.00 73.13 C ATOM 865 OG SER A 53 0.915 6.573 -12.739 1.00 73.33 O ATOM 0 H SER A 53 1.786 4.951 -9.255 1.00 54.35 H new ATOM 0 HA SER A 53 -0.377 6.743 -10.113 1.00 1.20 H new ATOM 0 HB2 SER A 53 1.279 7.920 -11.226 1.00 73.13 H new ATOM 0 HB3 SER A 53 2.373 6.552 -11.287 1.00 73.13 H new ATOM 0 HG SER A 53 1.487 7.060 -13.368 1.00 73.33 H new ATOM 871 N LYS A 54 -1.418 4.738 -11.096 1.00 1.31 N ATOM 872 CA LYS A 54 -2.075 3.572 -11.672 1.00 35.43 C ATOM 873 C LYS A 54 -1.520 3.263 -13.059 1.00 23.12 C ATOM 874 O LYS A 54 -1.272 2.106 -13.394 1.00 63.44 O ATOM 875 CB LYS A 54 -3.586 3.801 -11.756 1.00 31.50 C ATOM 876 CG LYS A 54 -4.351 2.620 -12.327 1.00 65.51 C ATOM 877 CD LYS A 54 -5.844 2.893 -12.378 1.00 2.34 C ATOM 878 CE LYS A 54 -6.524 2.076 -13.465 1.00 64.15 C ATOM 879 NZ LYS A 54 -6.832 2.900 -14.667 1.00 41.24 N ATOM 0 H LYS A 54 -2.057 5.460 -10.762 1.00 1.31 H new ATOM 0 HA LYS A 54 -1.878 2.719 -11.023 1.00 35.43 H new ATOM 0 HB2 LYS A 54 -3.967 4.022 -10.759 1.00 31.50 H new ATOM 0 HB3 LYS A 54 -3.778 4.679 -12.372 1.00 31.50 H new ATOM 0 HG2 LYS A 54 -3.986 2.400 -13.330 1.00 65.51 H new ATOM 0 HG3 LYS A 54 -4.163 1.735 -11.719 1.00 65.51 H new ATOM 0 HD2 LYS A 54 -6.291 2.658 -11.412 1.00 2.34 H new ATOM 0 HD3 LYS A 54 -6.015 3.954 -12.559 1.00 2.34 H new ATOM 0 HE2 LYS A 54 -5.880 1.244 -13.750 1.00 64.15 H new ATOM 0 HE3 LYS A 54 -7.446 1.646 -13.073 1.00 64.15 H new ATOM 0 HZ1 LYS A 54 -7.295 2.307 -15.385 1.00 41.24 H new ATOM 0 HZ2 LYS A 54 -7.467 3.680 -14.400 1.00 41.24 H new ATOM 0 HZ3 LYS A 54 -5.950 3.290 -15.056 1.00 41.24 H new ATOM 893 N GLU A 55 -1.327 4.308 -13.859 1.00 63.50 N ATOM 894 CA GLU A 55 -0.800 4.147 -15.210 1.00 23.51 C ATOM 895 C GLU A 55 0.662 3.710 -15.175 1.00 31.41 C ATOM 896 O GLU A 55 1.096 2.892 -15.984 1.00 73.32 O ATOM 897 CB GLU A 55 -0.935 5.455 -15.992 1.00 63.54 C ATOM 898 CG GLU A 55 -0.864 5.272 -17.499 1.00 71.04 C ATOM 899 CD GLU A 55 -0.086 6.378 -18.185 1.00 62.14 C ATOM 900 OE1 GLU A 55 -0.153 7.532 -17.714 1.00 31.30 O ATOM 901 OE2 GLU A 55 0.591 6.088 -19.194 1.00 22.32 O ATOM 0 H GLU A 55 -1.527 5.273 -13.596 1.00 63.50 H new ATOM 0 HA GLU A 55 -1.381 3.372 -15.710 1.00 23.51 H new ATOM 0 HB2 GLU A 55 -1.884 5.926 -15.736 1.00 63.54 H new ATOM 0 HB3 GLU A 55 -0.146 6.139 -15.680 1.00 63.54 H new ATOM 0 HG2 GLU A 55 -0.398 4.312 -17.723 1.00 71.04 H new ATOM 0 HG3 GLU A 55 -1.875 5.238 -17.905 1.00 71.04 H new ATOM 908 N GLY A 56 1.416 4.264 -14.231 1.00 5.05 N ATOM 909 CA GLY A 56 2.821 3.921 -14.107 1.00 61.43 C ATOM 910 C GLY A 56 3.032 2.484 -13.672 1.00 14.21 C ATOM 911 O GLY A 56 3.807 1.750 -14.285 1.00 63.34 O ATOM 0 H GLY A 56 1.079 4.944 -13.550 1.00 5.05 H new ATOM 0 HA2 GLY A 56 3.317 4.084 -15.064 1.00 61.43 H new ATOM 0 HA3 GLY A 56 3.292 4.588 -13.386 1.00 61.43 H new ATOM 915 N CYS A 57 2.340 2.082 -12.611 1.00 42.14 N ATOM 916 CA CYS A 57 2.457 0.723 -12.093 1.00 0.44 C ATOM 917 C CYS A 57 2.147 -0.301 -13.179 1.00 35.02 C ATOM 918 O CYS A 57 2.613 -1.439 -13.122 1.00 33.11 O ATOM 919 CB CYS A 57 1.515 0.527 -10.904 1.00 44.22 C ATOM 920 SG CYS A 57 2.358 0.364 -9.313 1.00 0.04 S ATOM 0 H CYS A 57 1.693 2.677 -12.093 1.00 42.14 H new ATOM 0 HA CYS A 57 3.484 0.573 -11.762 1.00 0.44 H new ATOM 0 HB2 CYS A 57 0.829 1.373 -10.855 1.00 44.22 H new ATOM 0 HB3 CYS A 57 0.911 -0.364 -11.076 1.00 44.22 H new ATOM 0 HG CYS A 57 1.822 1.178 -8.453 1.00 0.04 H new ATOM 926 N GLN A 58 1.356 0.109 -14.164 1.00 54.42 N ATOM 927 CA GLN A 58 0.980 -0.774 -15.262 1.00 21.51 C ATOM 928 C GLN A 58 2.161 -1.008 -16.200 1.00 33.14 C ATOM 929 O GLN A 58 2.295 -2.079 -16.790 1.00 72.45 O ATOM 930 CB GLN A 58 -0.196 -0.184 -16.040 1.00 62.53 C ATOM 931 CG GLN A 58 -0.757 -1.122 -17.097 1.00 34.00 C ATOM 932 CD GLN A 58 -0.830 -0.481 -18.468 1.00 45.34 C ATOM 933 OE1 GLN A 58 -0.954 0.739 -18.591 1.00 32.53 O ATOM 934 NE2 GLN A 58 -0.751 -1.300 -19.510 1.00 64.04 N ATOM 0 H GLN A 58 0.962 1.048 -14.225 1.00 54.42 H new ATOM 0 HA GLN A 58 0.680 -1.732 -14.838 1.00 21.51 H new ATOM 0 HB2 GLN A 58 -0.990 0.078 -15.340 1.00 62.53 H new ATOM 0 HB3 GLN A 58 0.124 0.741 -16.520 1.00 62.53 H new ATOM 0 HG2 GLN A 58 -0.135 -2.016 -17.151 1.00 34.00 H new ATOM 0 HG3 GLN A 58 -1.754 -1.445 -16.798 1.00 34.00 H new ATOM 0 HE21 GLN A 58 -0.649 -2.304 -19.363 1.00 64.04 H new ATOM 0 HE22 GLN A 58 -0.793 -0.925 -20.458 1.00 64.04 H new ATOM 943 N LYS A 59 3.013 0.002 -16.332 1.00 24.13 N ATOM 944 CA LYS A 59 4.183 -0.093 -17.197 1.00 63.21 C ATOM 945 C LYS A 59 5.283 -0.917 -16.536 1.00 60.50 C ATOM 946 O LYS A 59 6.237 -1.336 -17.193 1.00 43.11 O ATOM 947 CB LYS A 59 4.711 1.304 -17.531 1.00 15.41 C ATOM 948 CG LYS A 59 5.273 1.422 -18.937 1.00 53.31 C ATOM 949 CD LYS A 59 5.730 2.840 -19.238 1.00 54.20 C ATOM 950 CE LYS A 59 5.632 3.153 -20.723 1.00 54.23 C ATOM 951 NZ LYS A 59 6.146 4.515 -21.037 1.00 4.21 N ATOM 0 H LYS A 59 2.916 0.896 -15.851 1.00 24.13 H new ATOM 0 HA LYS A 59 3.882 -0.592 -18.118 1.00 63.21 H new ATOM 0 HB2 LYS A 59 3.904 2.027 -17.409 1.00 15.41 H new ATOM 0 HB3 LYS A 59 5.488 1.570 -16.815 1.00 15.41 H new ATOM 0 HG2 LYS A 59 6.112 0.736 -19.053 1.00 53.31 H new ATOM 0 HG3 LYS A 59 4.514 1.122 -19.660 1.00 53.31 H new ATOM 0 HD2 LYS A 59 5.121 3.547 -18.675 1.00 54.20 H new ATOM 0 HD3 LYS A 59 6.760 2.970 -18.905 1.00 54.20 H new ATOM 0 HE2 LYS A 59 6.197 2.412 -21.289 1.00 54.23 H new ATOM 0 HE3 LYS A 59 4.593 3.074 -21.043 1.00 54.23 H new ATOM 0 HZ1 LYS A 59 6.062 4.691 -22.059 1.00 4.21 H new ATOM 0 HZ2 LYS A 59 5.591 5.224 -20.517 1.00 4.21 H new ATOM 0 HZ3 LYS A 59 7.145 4.583 -20.755 1.00 4.21 H new ATOM 965 N ILE A 60 5.143 -1.149 -15.235 1.00 54.03 N ATOM 966 CA ILE A 60 6.124 -1.926 -14.487 1.00 74.34 C ATOM 967 C ILE A 60 5.762 -3.407 -14.480 1.00 74.02 C ATOM 968 O ILE A 60 6.620 -4.269 -14.677 1.00 52.42 O ATOM 969 CB ILE A 60 6.245 -1.432 -13.034 1.00 51.31 C ATOM 970 CG1 ILE A 60 6.422 0.088 -13.002 1.00 73.31 C ATOM 971 CG2 ILE A 60 7.407 -2.120 -12.335 1.00 71.44 C ATOM 972 CD1 ILE A 60 6.375 0.672 -11.608 1.00 4.43 C ATOM 0 H ILE A 60 4.359 -0.810 -14.677 1.00 54.03 H new ATOM 0 HA ILE A 60 7.082 -1.791 -14.989 1.00 74.34 H new ATOM 0 HB ILE A 60 5.327 -1.684 -12.503 1.00 51.31 H new ATOM 0 HG12 ILE A 60 7.376 0.344 -13.463 1.00 73.31 H new ATOM 0 HG13 ILE A 60 5.642 0.549 -13.607 1.00 73.31 H new ATOM 0 HG21 ILE A 60 7.479 -1.760 -11.309 1.00 71.44 H new ATOM 0 HG22 ILE A 60 7.243 -3.198 -12.331 1.00 71.44 H new ATOM 0 HG23 ILE A 60 8.334 -1.897 -12.864 1.00 71.44 H new ATOM 0 HD11 ILE A 60 6.507 1.753 -11.662 1.00 4.43 H new ATOM 0 HD12 ILE A 60 5.411 0.447 -11.151 1.00 4.43 H new ATOM 0 HD13 ILE A 60 7.173 0.238 -11.005 1.00 4.43 H new ATOM 984 N LEU A 61 4.484 -3.697 -14.254 1.00 64.30 N ATOM 985 CA LEU A 61 4.007 -5.075 -14.223 1.00 11.14 C ATOM 986 C LEU A 61 4.095 -5.713 -15.605 1.00 44.01 C ATOM 987 O LEU A 61 4.180 -6.936 -15.734 1.00 5.31 O ATOM 988 CB LEU A 61 2.564 -5.124 -13.718 1.00 43.13 C ATOM 989 CG LEU A 61 2.355 -4.765 -12.246 1.00 42.03 C ATOM 990 CD1 LEU A 61 0.901 -4.407 -11.985 1.00 74.11 C ATOM 991 CD2 LEU A 61 2.792 -5.915 -11.350 1.00 41.42 C ATOM 0 H LEU A 61 3.761 -2.996 -14.090 1.00 64.30 H new ATOM 0 HA LEU A 61 4.644 -5.639 -13.542 1.00 11.14 H new ATOM 0 HB2 LEU A 61 1.965 -4.446 -14.325 1.00 43.13 H new ATOM 0 HB3 LEU A 61 2.176 -6.129 -13.885 1.00 43.13 H new ATOM 0 HG LEU A 61 2.969 -3.895 -12.013 1.00 42.03 H new ATOM 0 HD11 LEU A 61 0.772 -4.155 -10.933 1.00 74.11 H new ATOM 0 HD12 LEU A 61 0.621 -3.552 -12.600 1.00 74.11 H new ATOM 0 HD13 LEU A 61 0.266 -5.257 -12.235 1.00 74.11 H new ATOM 0 HD21 LEU A 61 2.636 -5.642 -10.306 1.00 41.42 H new ATOM 0 HD22 LEU A 61 2.205 -6.803 -11.585 1.00 41.42 H new ATOM 0 HD23 LEU A 61 3.849 -6.125 -11.517 1.00 41.42 H new ATOM 1003 N THR A 62 4.079 -4.878 -16.639 1.00 53.13 N ATOM 1004 CA THR A 62 4.158 -5.360 -18.013 1.00 34.12 C ATOM 1005 C THR A 62 5.559 -5.863 -18.339 1.00 24.12 C ATOM 1006 O THR A 62 5.730 -6.776 -19.148 1.00 1.44 O ATOM 1007 CB THR A 62 3.774 -4.258 -19.018 1.00 64.11 C ATOM 1008 OG1 THR A 62 3.466 -4.841 -20.290 1.00 12.43 O ATOM 1009 CG2 THR A 62 4.904 -3.253 -19.177 1.00 11.54 C ATOM 0 H THR A 62 4.012 -3.864 -16.551 1.00 53.13 H new ATOM 0 HA THR A 62 3.449 -6.184 -18.100 1.00 34.12 H new ATOM 0 HB THR A 62 2.897 -3.737 -18.635 1.00 64.11 H new ATOM 0 HG1 THR A 62 3.221 -4.134 -20.923 1.00 12.43 H new ATOM 0 HG21 THR A 62 4.610 -2.484 -19.892 1.00 11.54 H new ATOM 0 HG22 THR A 62 5.117 -2.790 -18.214 1.00 11.54 H new ATOM 0 HG23 THR A 62 5.796 -3.763 -19.540 1.00 11.54 H new ATOM 1017 N VAL A 63 6.561 -5.263 -17.704 1.00 24.25 N ATOM 1018 CA VAL A 63 7.949 -5.652 -17.925 1.00 34.55 C ATOM 1019 C VAL A 63 8.357 -6.786 -16.992 1.00 22.23 C ATOM 1020 O VAL A 63 9.257 -7.567 -17.303 1.00 32.41 O ATOM 1021 CB VAL A 63 8.906 -4.462 -17.718 1.00 54.23 C ATOM 1022 CG1 VAL A 63 10.352 -4.911 -17.852 1.00 63.02 C ATOM 1023 CG2 VAL A 63 8.590 -3.348 -18.704 1.00 21.11 C ATOM 0 H VAL A 63 6.437 -4.505 -17.032 1.00 24.25 H new ATOM 0 HA VAL A 63 8.022 -5.991 -18.958 1.00 34.55 H new ATOM 0 HB VAL A 63 8.764 -4.074 -16.709 1.00 54.23 H new ATOM 0 HG11 VAL A 63 11.013 -4.057 -17.703 1.00 63.02 H new ATOM 0 HG12 VAL A 63 10.567 -5.672 -17.102 1.00 63.02 H new ATOM 0 HG13 VAL A 63 10.514 -5.326 -18.847 1.00 63.02 H new ATOM 0 HG21 VAL A 63 9.275 -2.515 -18.544 1.00 21.11 H new ATOM 0 HG22 VAL A 63 8.703 -3.720 -19.722 1.00 21.11 H new ATOM 0 HG23 VAL A 63 7.565 -3.009 -18.553 1.00 21.11 H new ATOM 1033 N LEU A 64 7.690 -6.872 -15.846 1.00 5.43 N ATOM 1034 CA LEU A 64 7.982 -7.911 -14.866 1.00 4.12 C ATOM 1035 C LEU A 64 7.146 -9.159 -15.129 1.00 61.13 C ATOM 1036 O LEU A 64 7.524 -10.265 -14.741 1.00 75.31 O ATOM 1037 CB LEU A 64 7.717 -7.395 -13.450 1.00 54.12 C ATOM 1038 CG LEU A 64 8.481 -6.135 -13.040 1.00 40.55 C ATOM 1039 CD1 LEU A 64 7.794 -5.452 -11.868 1.00 73.23 C ATOM 1040 CD2 LEU A 64 9.922 -6.475 -12.693 1.00 41.31 C ATOM 0 H LEU A 64 6.943 -6.234 -15.573 1.00 5.43 H new ATOM 0 HA LEU A 64 9.035 -8.176 -14.958 1.00 4.12 H new ATOM 0 HB2 LEU A 64 6.650 -7.197 -13.351 1.00 54.12 H new ATOM 0 HB3 LEU A 64 7.961 -8.189 -12.744 1.00 54.12 H new ATOM 0 HG LEU A 64 8.485 -5.445 -13.884 1.00 40.55 H new ATOM 0 HD11 LEU A 64 8.352 -4.558 -11.590 1.00 73.23 H new ATOM 0 HD12 LEU A 64 6.780 -5.173 -12.153 1.00 73.23 H new ATOM 0 HD13 LEU A 64 7.758 -6.135 -11.019 1.00 73.23 H new ATOM 0 HD21 LEU A 64 10.451 -5.567 -12.404 1.00 41.31 H new ATOM 0 HD22 LEU A 64 9.939 -7.184 -11.865 1.00 41.31 H new ATOM 0 HD23 LEU A 64 10.410 -6.918 -13.561 1.00 41.31 H new ATOM 1052 N ASP A 65 6.011 -8.974 -15.793 1.00 34.34 N ATOM 1053 CA ASP A 65 5.121 -10.085 -16.111 1.00 42.21 C ATOM 1054 C ASP A 65 5.849 -11.144 -16.934 1.00 71.01 C ATOM 1055 O ASP A 65 5.987 -12.297 -16.524 1.00 54.44 O ATOM 1056 CB ASP A 65 3.895 -9.582 -16.874 1.00 62.42 C ATOM 1057 CG ASP A 65 3.369 -10.604 -17.864 1.00 21.24 C ATOM 1058 OD1 ASP A 65 3.182 -11.774 -17.466 1.00 25.22 O ATOM 1059 OD2 ASP A 65 3.143 -10.234 -19.034 1.00 70.21 O ATOM 0 H ASP A 65 5.685 -8.065 -16.122 1.00 34.34 H new ATOM 0 HA ASP A 65 4.795 -10.538 -15.175 1.00 42.21 H new ATOM 0 HB2 ASP A 65 3.107 -9.329 -16.164 1.00 62.42 H new ATOM 0 HB3 ASP A 65 4.152 -8.665 -17.405 1.00 62.42 H new ATOM 1064 N PRO A 66 6.324 -10.746 -18.123 1.00 64.13 N ATOM 1065 CA PRO A 66 7.046 -11.646 -19.029 1.00 71.31 C ATOM 1066 C PRO A 66 8.423 -12.025 -18.495 1.00 32.13 C ATOM 1067 O PRO A 66 9.049 -12.966 -18.980 1.00 2.52 O ATOM 1068 CB PRO A 66 7.179 -10.824 -20.314 1.00 73.40 C ATOM 1069 CG PRO A 66 7.118 -9.405 -19.864 1.00 34.54 C ATOM 1070 CD PRO A 66 6.196 -9.387 -18.676 1.00 24.03 C ATOM 0 HA PRO A 66 6.523 -12.593 -19.164 1.00 71.31 H new ATOM 0 HB2 PRO A 66 8.118 -11.037 -20.825 1.00 73.40 H new ATOM 0 HB3 PRO A 66 6.376 -11.052 -21.015 1.00 73.40 H new ATOM 0 HG2 PRO A 66 8.108 -9.038 -19.595 1.00 34.54 H new ATOM 0 HG3 PRO A 66 6.744 -8.759 -20.658 1.00 34.54 H new ATOM 0 HD2 PRO A 66 6.490 -8.629 -17.950 1.00 24.03 H new ATOM 0 HD3 PRO A 66 5.169 -9.167 -18.968 1.00 24.03 H new ATOM 1078 N MET A 67 8.887 -11.287 -17.491 1.00 61.44 N ATOM 1079 CA MET A 67 10.189 -11.548 -16.890 1.00 25.44 C ATOM 1080 C MET A 67 10.042 -12.351 -15.601 1.00 62.13 C ATOM 1081 O MET A 67 11.033 -12.693 -14.955 1.00 33.23 O ATOM 1082 CB MET A 67 10.917 -10.233 -16.605 1.00 55.21 C ATOM 1083 CG MET A 67 12.423 -10.320 -16.785 1.00 61.14 C ATOM 1084 SD MET A 67 12.990 -9.521 -18.299 1.00 50.22 S ATOM 1085 CE MET A 67 12.445 -10.703 -19.530 1.00 23.22 C ATOM 0 H MET A 67 8.381 -10.504 -17.077 1.00 61.44 H new ATOM 0 HA MET A 67 10.776 -12.134 -17.597 1.00 25.44 H new ATOM 0 HB2 MET A 67 10.525 -9.460 -17.265 1.00 55.21 H new ATOM 0 HB3 MET A 67 10.699 -9.921 -15.584 1.00 55.21 H new ATOM 0 HG2 MET A 67 12.914 -9.858 -15.929 1.00 61.14 H new ATOM 0 HG3 MET A 67 12.723 -11.368 -16.797 1.00 61.14 H new ATOM 0 HE1 MET A 67 12.723 -10.349 -20.523 1.00 23.22 H new ATOM 0 HE2 MET A 67 12.917 -11.667 -19.343 1.00 23.22 H new ATOM 0 HE3 MET A 67 11.362 -10.813 -19.475 1.00 23.22 H new ATOM 1095 N VAL A 68 8.800 -12.648 -15.232 1.00 52.14 N ATOM 1096 CA VAL A 68 8.524 -13.411 -14.021 1.00 75.02 C ATOM 1097 C VAL A 68 9.340 -14.698 -13.984 1.00 24.03 C ATOM 1098 O VAL A 68 10.132 -14.934 -13.071 1.00 53.33 O ATOM 1099 CB VAL A 68 7.029 -13.761 -13.907 1.00 14.11 C ATOM 1100 CG1 VAL A 68 6.840 -15.054 -13.129 1.00 30.41 C ATOM 1101 CG2 VAL A 68 6.262 -12.621 -13.254 1.00 3.42 C ATOM 0 H VAL A 68 7.969 -12.372 -15.755 1.00 52.14 H new ATOM 0 HA VAL A 68 8.807 -12.780 -13.178 1.00 75.02 H new ATOM 0 HB VAL A 68 6.632 -13.908 -14.912 1.00 14.11 H new ATOM 0 HG11 VAL A 68 5.777 -15.285 -13.059 1.00 30.41 H new ATOM 0 HG12 VAL A 68 7.354 -15.866 -13.643 1.00 30.41 H new ATOM 0 HG13 VAL A 68 7.253 -14.939 -12.127 1.00 30.41 H new ATOM 0 HG21 VAL A 68 5.207 -12.886 -13.182 1.00 3.42 H new ATOM 0 HG22 VAL A 68 6.660 -12.440 -12.255 1.00 3.42 H new ATOM 0 HG23 VAL A 68 6.369 -11.719 -13.856 1.00 3.42 H new ATOM 1111 N PRO A 69 9.145 -15.552 -14.999 1.00 64.03 N ATOM 1112 CA PRO A 69 9.855 -16.830 -15.106 1.00 43.43 C ATOM 1113 C PRO A 69 11.337 -16.645 -15.417 1.00 20.11 C ATOM 1114 O PRO A 69 12.195 -17.283 -14.805 1.00 44.34 O ATOM 1115 CB PRO A 69 9.149 -17.532 -16.269 1.00 42.13 C ATOM 1116 CG PRO A 69 8.582 -16.426 -17.090 1.00 52.33 C ATOM 1117 CD PRO A 69 8.217 -15.335 -16.121 1.00 74.45 C ATOM 0 HA PRO A 69 9.828 -17.391 -14.172 1.00 43.43 H new ATOM 0 HB2 PRO A 69 9.846 -18.138 -16.848 1.00 42.13 H new ATOM 0 HB3 PRO A 69 8.366 -18.201 -15.911 1.00 42.13 H new ATOM 0 HG2 PRO A 69 9.308 -16.071 -17.821 1.00 52.33 H new ATOM 0 HG3 PRO A 69 7.707 -16.762 -17.647 1.00 52.33 H new ATOM 0 HD2 PRO A 69 8.344 -14.346 -16.562 1.00 74.45 H new ATOM 0 HD3 PRO A 69 7.177 -15.411 -15.803 1.00 74.45 H new ATOM 1125 N THR A 70 11.632 -15.768 -16.372 1.00 64.31 N ATOM 1126 CA THR A 70 13.010 -15.500 -16.764 1.00 65.31 C ATOM 1127 C THR A 70 13.635 -14.429 -15.878 1.00 44.31 C ATOM 1128 O THR A 70 14.520 -13.690 -16.310 1.00 75.35 O ATOM 1129 CB THR A 70 13.098 -15.052 -18.235 1.00 3.44 C ATOM 1130 OG1 THR A 70 11.925 -15.464 -18.944 1.00 2.30 O ATOM 1131 CG2 THR A 70 14.334 -15.633 -18.905 1.00 1.21 C ATOM 0 H THR A 70 10.935 -15.231 -16.888 1.00 64.31 H new ATOM 0 HA THR A 70 13.561 -16.433 -16.643 1.00 65.31 H new ATOM 0 HB THR A 70 13.171 -13.965 -18.257 1.00 3.44 H new ATOM 0 HG1 THR A 70 11.988 -15.174 -19.878 1.00 2.30 H new ATOM 0 HG21 THR A 70 14.374 -15.303 -19.943 1.00 1.21 H new ATOM 0 HG22 THR A 70 15.227 -15.292 -18.381 1.00 1.21 H new ATOM 0 HG23 THR A 70 14.288 -16.722 -18.872 1.00 1.21 H new ATOM 1139 N GLY A 71 13.170 -14.348 -14.636 1.00 21.34 N ATOM 1140 CA GLY A 71 13.696 -13.364 -13.708 1.00 45.03 C ATOM 1141 C GLY A 71 13.970 -13.946 -12.337 1.00 33.43 C ATOM 1142 O GLY A 71 13.186 -14.748 -11.827 1.00 53.30 O ATOM 0 H GLY A 71 12.437 -14.947 -14.255 1.00 21.34 H new ATOM 0 HA2 GLY A 71 14.618 -12.945 -14.112 1.00 45.03 H new ATOM 0 HA3 GLY A 71 12.986 -12.542 -13.615 1.00 45.03 H new ATOM 1146 N SER A 72 15.086 -13.546 -11.736 1.00 63.34 N ATOM 1147 CA SER A 72 15.464 -14.038 -10.417 1.00 21.02 C ATOM 1148 C SER A 72 14.337 -13.820 -9.412 1.00 34.42 C ATOM 1149 O SER A 72 13.362 -13.126 -9.699 1.00 70.31 O ATOM 1150 CB SER A 72 16.736 -13.339 -9.934 1.00 62.32 C ATOM 1151 OG SER A 72 16.514 -11.953 -9.738 1.00 71.55 O ATOM 0 H SER A 72 15.745 -12.882 -12.142 1.00 63.34 H new ATOM 0 HA SER A 72 15.654 -15.108 -10.496 1.00 21.02 H new ATOM 0 HB2 SER A 72 17.072 -13.792 -9.001 1.00 62.32 H new ATOM 0 HB3 SER A 72 17.533 -13.483 -10.663 1.00 62.32 H new ATOM 0 HG SER A 72 17.372 -11.480 -9.743 1.00 71.55 H new ATOM 1157 N GLU A 73 14.480 -14.418 -8.233 1.00 74.24 N ATOM 1158 CA GLU A 73 13.474 -14.290 -7.186 1.00 14.12 C ATOM 1159 C GLU A 73 13.309 -12.832 -6.764 1.00 24.50 C ATOM 1160 O GLU A 73 12.230 -12.413 -6.350 1.00 71.41 O ATOM 1161 CB GLU A 73 13.855 -15.144 -5.975 1.00 10.34 C ATOM 1162 CG GLU A 73 12.997 -16.386 -5.811 1.00 70.01 C ATOM 1163 CD GLU A 73 13.797 -17.668 -5.936 1.00 55.33 C ATOM 1164 OE1 GLU A 73 14.487 -17.838 -6.964 1.00 12.45 O ATOM 1165 OE2 GLU A 73 13.733 -18.501 -5.009 1.00 21.41 O ATOM 0 H GLU A 73 15.282 -14.995 -7.980 1.00 74.24 H new ATOM 0 HA GLU A 73 12.524 -14.643 -7.586 1.00 14.12 H new ATOM 0 HB2 GLU A 73 14.899 -15.444 -6.067 1.00 10.34 H new ATOM 0 HB3 GLU A 73 13.776 -14.537 -5.073 1.00 10.34 H new ATOM 0 HG2 GLU A 73 12.509 -16.360 -4.837 1.00 70.01 H new ATOM 0 HG3 GLU A 73 12.208 -16.380 -6.563 1.00 70.01 H new ATOM 1172 N ASN A 74 14.390 -12.066 -6.873 1.00 74.22 N ATOM 1173 CA ASN A 74 14.367 -10.656 -6.502 1.00 55.13 C ATOM 1174 C ASN A 74 13.384 -9.880 -7.374 1.00 13.20 C ATOM 1175 O ASN A 74 12.873 -8.834 -6.971 1.00 43.23 O ATOM 1176 CB ASN A 74 15.766 -10.051 -6.630 1.00 10.13 C ATOM 1177 CG ASN A 74 16.819 -10.870 -5.908 1.00 13.33 C ATOM 1178 OD1 ASN A 74 16.797 -10.986 -4.682 1.00 64.21 O ATOM 1179 ND2 ASN A 74 17.746 -11.442 -6.666 1.00 71.25 N ATOM 0 H ASN A 74 15.292 -12.398 -7.215 1.00 74.22 H new ATOM 0 HA ASN A 74 14.040 -10.584 -5.465 1.00 55.13 H new ATOM 0 HB2 ASN A 74 16.030 -9.973 -7.685 1.00 10.13 H new ATOM 0 HB3 ASN A 74 15.759 -9.038 -6.228 1.00 10.13 H new ATOM 0 HD21 ASN A 74 18.480 -12.005 -6.236 1.00 71.25 H new ATOM 0 HD22 ASN A 74 17.725 -11.318 -7.678 1.00 71.25 H new ATOM 1186 N LEU A 75 13.123 -10.401 -8.567 1.00 50.43 N ATOM 1187 CA LEU A 75 12.200 -9.757 -9.496 1.00 51.25 C ATOM 1188 C LEU A 75 10.775 -10.258 -9.283 1.00 41.24 C ATOM 1189 O LEU A 75 9.843 -9.468 -9.132 1.00 51.33 O ATOM 1190 CB LEU A 75 12.633 -10.019 -10.940 1.00 70.22 C ATOM 1191 CG LEU A 75 11.923 -9.195 -12.015 1.00 32.01 C ATOM 1192 CD1 LEU A 75 12.787 -9.085 -13.261 1.00 54.00 C ATOM 1193 CD2 LEU A 75 10.572 -9.811 -12.351 1.00 41.55 C ATOM 0 H LEU A 75 13.536 -11.266 -8.914 1.00 50.43 H new ATOM 0 HA LEU A 75 12.221 -8.684 -9.305 1.00 51.25 H new ATOM 0 HB2 LEU A 75 13.704 -9.832 -11.016 1.00 70.22 H new ATOM 0 HB3 LEU A 75 12.477 -11.075 -11.159 1.00 70.22 H new ATOM 0 HG LEU A 75 11.756 -8.191 -11.626 1.00 32.01 H new ATOM 0 HD11 LEU A 75 12.265 -8.495 -14.015 1.00 54.00 H new ATOM 0 HD12 LEU A 75 13.729 -8.599 -13.009 1.00 54.00 H new ATOM 0 HD13 LEU A 75 12.987 -10.082 -13.654 1.00 54.00 H new ATOM 0 HD21 LEU A 75 10.080 -9.213 -13.118 1.00 41.55 H new ATOM 0 HD22 LEU A 75 10.717 -10.826 -12.721 1.00 41.55 H new ATOM 0 HD23 LEU A 75 9.951 -9.836 -11.456 1.00 41.55 H new ATOM 1205 N LYS A 76 10.612 -11.576 -9.269 1.00 62.31 N ATOM 1206 CA LYS A 76 9.302 -12.185 -9.070 1.00 3.14 C ATOM 1207 C LYS A 76 8.629 -11.629 -7.819 1.00 51.20 C ATOM 1208 O LYS A 76 7.409 -11.468 -7.779 1.00 32.30 O ATOM 1209 CB LYS A 76 9.435 -13.705 -8.956 1.00 65.05 C ATOM 1210 CG LYS A 76 8.209 -14.460 -9.441 1.00 22.35 C ATOM 1211 CD LYS A 76 8.133 -15.850 -8.831 1.00 43.21 C ATOM 1212 CE LYS A 76 9.343 -16.692 -9.210 1.00 15.52 C ATOM 1213 NZ LYS A 76 10.254 -16.907 -8.052 1.00 51.54 N ATOM 0 H LYS A 76 11.372 -12.245 -9.393 1.00 62.31 H new ATOM 0 HA LYS A 76 8.682 -11.944 -9.934 1.00 3.14 H new ATOM 0 HB2 LYS A 76 10.302 -14.030 -9.531 1.00 65.05 H new ATOM 0 HB3 LYS A 76 9.625 -13.968 -7.915 1.00 65.05 H new ATOM 0 HG2 LYS A 76 7.310 -13.899 -9.184 1.00 22.35 H new ATOM 0 HG3 LYS A 76 8.236 -14.539 -10.528 1.00 22.35 H new ATOM 0 HD2 LYS A 76 8.070 -15.769 -7.746 1.00 43.21 H new ATOM 0 HD3 LYS A 76 7.223 -16.347 -9.167 1.00 43.21 H new ATOM 0 HE2 LYS A 76 9.009 -17.656 -9.593 1.00 15.52 H new ATOM 0 HE3 LYS A 76 9.889 -16.201 -10.015 1.00 15.52 H new ATOM 0 HZ1 LYS A 76 11.161 -17.288 -8.390 1.00 51.54 H new ATOM 0 HZ2 LYS A 76 10.418 -16.002 -7.567 1.00 51.54 H new ATOM 0 HZ3 LYS A 76 9.820 -17.581 -7.390 1.00 51.54 H new ATOM 1227 N SER A 77 9.431 -11.334 -6.802 1.00 11.01 N ATOM 1228 CA SER A 77 8.912 -10.798 -5.549 1.00 14.53 C ATOM 1229 C SER A 77 8.250 -9.441 -5.772 1.00 41.44 C ATOM 1230 O SER A 77 7.083 -9.243 -5.433 1.00 44.53 O ATOM 1231 CB SER A 77 10.037 -10.666 -4.520 1.00 12.11 C ATOM 1232 OG SER A 77 10.343 -11.921 -3.938 1.00 64.11 O ATOM 0 H SER A 77 10.443 -11.457 -6.821 1.00 11.01 H new ATOM 0 HA SER A 77 8.162 -11.492 -5.169 1.00 14.53 H new ATOM 0 HB2 SER A 77 10.926 -10.257 -4.999 1.00 12.11 H new ATOM 0 HB3 SER A 77 9.742 -9.962 -3.742 1.00 12.11 H new ATOM 0 HG SER A 77 10.972 -12.404 -4.514 1.00 64.11 H new ATOM 1238 N LEU A 78 9.004 -8.509 -6.345 1.00 25.12 N ATOM 1239 CA LEU A 78 8.494 -7.170 -6.614 1.00 52.02 C ATOM 1240 C LEU A 78 7.239 -7.229 -7.479 1.00 33.21 C ATOM 1241 O LEU A 78 6.315 -6.434 -7.306 1.00 73.45 O ATOM 1242 CB LEU A 78 9.564 -6.324 -7.307 1.00 25.14 C ATOM 1243 CG LEU A 78 9.094 -4.989 -7.887 1.00 33.51 C ATOM 1244 CD1 LEU A 78 8.662 -4.046 -6.775 1.00 42.42 C ATOM 1245 CD2 LEU A 78 10.192 -4.358 -8.729 1.00 22.11 C ATOM 0 H LEU A 78 9.971 -8.657 -6.632 1.00 25.12 H new ATOM 0 HA LEU A 78 8.236 -6.709 -5.661 1.00 52.02 H new ATOM 0 HB2 LEU A 78 10.361 -6.125 -6.591 1.00 25.14 H new ATOM 0 HB3 LEU A 78 9.999 -6.914 -8.113 1.00 25.14 H new ATOM 0 HG LEU A 78 8.234 -5.176 -8.530 1.00 33.51 H new ATOM 0 HD11 LEU A 78 8.331 -3.102 -7.207 1.00 42.42 H new ATOM 0 HD12 LEU A 78 7.842 -4.496 -6.214 1.00 42.42 H new ATOM 0 HD13 LEU A 78 9.503 -3.864 -6.105 1.00 42.42 H new ATOM 0 HD21 LEU A 78 9.840 -3.409 -9.134 1.00 22.11 H new ATOM 0 HD22 LEU A 78 11.072 -4.184 -8.109 1.00 22.11 H new ATOM 0 HD23 LEU A 78 10.452 -5.028 -9.549 1.00 22.11 H new ATOM 1257 N PHE A 79 7.212 -8.179 -8.409 1.00 41.51 N ATOM 1258 CA PHE A 79 6.070 -8.343 -9.301 1.00 74.40 C ATOM 1259 C PHE A 79 4.790 -8.583 -8.505 1.00 52.32 C ATOM 1260 O PHE A 79 3.700 -8.206 -8.935 1.00 42.31 O ATOM 1261 CB PHE A 79 6.311 -9.508 -10.263 1.00 42.11 C ATOM 1262 CG PHE A 79 5.127 -9.823 -11.132 1.00 3.33 C ATOM 1263 CD1 PHE A 79 4.625 -8.876 -12.010 1.00 72.31 C ATOM 1264 CD2 PHE A 79 4.516 -11.065 -11.070 1.00 51.12 C ATOM 1265 CE1 PHE A 79 3.535 -9.162 -12.812 1.00 24.13 C ATOM 1266 CE2 PHE A 79 3.427 -11.357 -11.870 1.00 11.32 C ATOM 1267 CZ PHE A 79 2.935 -10.404 -12.740 1.00 44.41 C ATOM 0 H PHE A 79 7.968 -8.846 -8.564 1.00 41.51 H new ATOM 0 HA PHE A 79 5.954 -7.424 -9.876 1.00 74.40 H new ATOM 0 HB2 PHE A 79 7.165 -9.274 -10.898 1.00 42.11 H new ATOM 0 HB3 PHE A 79 6.575 -10.395 -9.688 1.00 42.11 H new ATOM 0 HD1 PHE A 79 5.090 -7.903 -12.069 1.00 72.31 H new ATOM 0 HD2 PHE A 79 4.895 -11.813 -10.389 1.00 51.12 H new ATOM 0 HE1 PHE A 79 3.154 -8.416 -13.493 1.00 24.13 H new ATOM 0 HE2 PHE A 79 2.961 -12.330 -11.815 1.00 11.32 H new ATOM 0 HZ PHE A 79 2.082 -10.630 -13.363 1.00 44.41 H new ATOM 1277 N ASN A 80 4.930 -9.213 -7.344 1.00 42.33 N ATOM 1278 CA ASN A 80 3.786 -9.504 -6.489 1.00 0.02 C ATOM 1279 C ASN A 80 3.330 -8.252 -5.744 1.00 45.13 C ATOM 1280 O ASN A 80 2.134 -8.028 -5.556 1.00 72.03 O ATOM 1281 CB ASN A 80 4.138 -10.605 -5.488 1.00 33.41 C ATOM 1282 CG ASN A 80 4.054 -11.991 -6.099 1.00 22.31 C ATOM 1283 OD1 ASN A 80 5.012 -12.763 -6.047 1.00 74.42 O ATOM 1284 ND2 ASN A 80 2.905 -12.311 -6.683 1.00 63.01 N ATOM 0 H ASN A 80 5.825 -9.532 -6.973 1.00 42.33 H new ATOM 0 HA ASN A 80 2.968 -9.846 -7.124 1.00 0.02 H new ATOM 0 HB2 ASN A 80 5.146 -10.439 -5.109 1.00 33.41 H new ATOM 0 HB3 ASN A 80 3.463 -10.546 -4.634 1.00 33.41 H new ATOM 0 HD21 ASN A 80 2.789 -13.229 -7.113 1.00 63.01 H new ATOM 0 HD22 ASN A 80 2.138 -11.639 -6.702 1.00 63.01 H new ATOM 1291 N THR A 81 4.293 -7.437 -5.323 1.00 30.40 N ATOM 1292 CA THR A 81 3.992 -6.209 -4.599 1.00 62.25 C ATOM 1293 C THR A 81 3.346 -5.175 -5.514 1.00 61.35 C ATOM 1294 O THR A 81 2.297 -4.616 -5.194 1.00 72.11 O ATOM 1295 CB THR A 81 5.261 -5.601 -3.972 1.00 13.42 C ATOM 1296 OG1 THR A 81 6.032 -6.626 -3.336 1.00 22.53 O ATOM 1297 CG2 THR A 81 4.901 -4.526 -2.958 1.00 31.00 C ATOM 0 H THR A 81 5.288 -7.606 -5.471 1.00 30.40 H new ATOM 0 HA THR A 81 3.294 -6.474 -3.805 1.00 62.25 H new ATOM 0 HB THR A 81 5.851 -5.145 -4.767 1.00 13.42 H new ATOM 0 HG1 THR A 81 6.838 -6.232 -2.941 1.00 22.53 H new ATOM 0 HG21 THR A 81 5.813 -4.111 -2.528 1.00 31.00 H new ATOM 0 HG22 THR A 81 4.339 -3.733 -3.452 1.00 31.00 H new ATOM 0 HG23 THR A 81 4.293 -4.962 -2.166 1.00 31.00 H new ATOM 1305 N VAL A 82 3.979 -4.926 -6.657 1.00 3.01 N ATOM 1306 CA VAL A 82 3.464 -3.961 -7.621 1.00 43.03 C ATOM 1307 C VAL A 82 2.019 -4.271 -7.992 1.00 22.34 C ATOM 1308 O VAL A 82 1.237 -3.368 -8.295 1.00 20.33 O ATOM 1309 CB VAL A 82 4.318 -3.938 -8.902 1.00 63.25 C ATOM 1310 CG1 VAL A 82 3.863 -2.819 -9.827 1.00 61.54 C ATOM 1311 CG2 VAL A 82 5.792 -3.788 -8.557 1.00 62.55 C ATOM 0 H VAL A 82 4.849 -5.379 -6.937 1.00 3.01 H new ATOM 0 HA VAL A 82 3.511 -2.982 -7.144 1.00 43.03 H new ATOM 0 HB VAL A 82 4.185 -4.886 -9.424 1.00 63.25 H new ATOM 0 HG11 VAL A 82 4.478 -2.818 -10.727 1.00 61.54 H new ATOM 0 HG12 VAL A 82 2.819 -2.975 -10.101 1.00 61.54 H new ATOM 0 HG13 VAL A 82 3.965 -1.861 -9.317 1.00 61.54 H new ATOM 0 HG21 VAL A 82 6.381 -3.774 -9.474 1.00 62.55 H new ATOM 0 HG22 VAL A 82 5.945 -2.856 -8.013 1.00 62.55 H new ATOM 0 HG23 VAL A 82 6.108 -4.627 -7.936 1.00 62.55 H new ATOM 1321 N CYS A 83 1.670 -5.553 -7.967 1.00 1.34 N ATOM 1322 CA CYS A 83 0.317 -5.983 -8.300 1.00 53.10 C ATOM 1323 C CYS A 83 -0.690 -5.445 -7.289 1.00 73.33 C ATOM 1324 O CYS A 83 -1.818 -5.099 -7.644 1.00 22.04 O ATOM 1325 CB CYS A 83 0.242 -7.510 -8.349 1.00 64.23 C ATOM 1326 SG CYS A 83 0.454 -8.206 -10.004 1.00 62.34 S ATOM 0 H CYS A 83 2.305 -6.312 -7.720 1.00 1.34 H new ATOM 0 HA CYS A 83 0.067 -5.582 -9.282 1.00 53.10 H new ATOM 0 HB2 CYS A 83 1.008 -7.922 -7.692 1.00 64.23 H new ATOM 0 HB3 CYS A 83 -0.722 -7.829 -7.953 1.00 64.23 H new ATOM 0 HG CYS A 83 1.710 -8.474 -10.204 1.00 62.34 H new ATOM 1332 N VAL A 84 -0.277 -5.380 -6.028 1.00 3.35 N ATOM 1333 CA VAL A 84 -1.143 -4.884 -4.964 1.00 31.23 C ATOM 1334 C VAL A 84 -1.231 -3.363 -4.990 1.00 63.11 C ATOM 1335 O VAL A 84 -2.290 -2.788 -4.739 1.00 31.51 O ATOM 1336 CB VAL A 84 -0.642 -5.335 -3.578 1.00 14.52 C ATOM 1337 CG1 VAL A 84 -1.512 -4.743 -2.479 1.00 73.42 C ATOM 1338 CG2 VAL A 84 -0.616 -6.853 -3.489 1.00 61.13 C ATOM 0 H VAL A 84 0.652 -5.664 -5.717 1.00 3.35 H new ATOM 0 HA VAL A 84 -2.133 -5.304 -5.140 1.00 31.23 H new ATOM 0 HB VAL A 84 0.376 -4.969 -3.441 1.00 14.52 H new ATOM 0 HG11 VAL A 84 -1.144 -5.072 -1.507 1.00 73.42 H new ATOM 0 HG12 VAL A 84 -1.475 -3.655 -2.532 1.00 73.42 H new ATOM 0 HG13 VAL A 84 -2.541 -5.078 -2.610 1.00 73.42 H new ATOM 0 HG21 VAL A 84 -0.260 -7.154 -2.504 1.00 61.13 H new ATOM 0 HG22 VAL A 84 -1.621 -7.244 -3.646 1.00 61.13 H new ATOM 0 HG23 VAL A 84 0.052 -7.251 -4.253 1.00 61.13 H new ATOM 1348 N ILE A 85 -0.112 -2.716 -5.297 1.00 40.14 N ATOM 1349 CA ILE A 85 -0.064 -1.260 -5.358 1.00 65.15 C ATOM 1350 C ILE A 85 -1.035 -0.722 -6.403 1.00 11.43 C ATOM 1351 O ILE A 85 -1.852 0.153 -6.112 1.00 62.25 O ATOM 1352 CB ILE A 85 1.356 -0.758 -5.686 1.00 55.32 C ATOM 1353 CG1 ILE A 85 2.353 -1.265 -4.644 1.00 65.44 C ATOM 1354 CG2 ILE A 85 1.376 0.762 -5.751 1.00 41.12 C ATOM 1355 CD1 ILE A 85 2.190 -0.620 -3.286 1.00 11.34 C ATOM 0 H ILE A 85 0.773 -3.177 -5.507 1.00 40.14 H new ATOM 0 HA ILE A 85 -0.353 -0.892 -4.374 1.00 65.15 H new ATOM 0 HB ILE A 85 1.649 -1.149 -6.660 1.00 55.32 H new ATOM 0 HG12 ILE A 85 2.240 -2.344 -4.540 1.00 65.44 H new ATOM 0 HG13 ILE A 85 3.366 -1.084 -5.004 1.00 65.44 H new ATOM 0 HG21 ILE A 85 2.385 1.103 -5.983 1.00 41.12 H new ATOM 0 HG22 ILE A 85 0.690 1.102 -6.527 1.00 41.12 H new ATOM 0 HG23 ILE A 85 1.067 1.171 -4.789 1.00 41.12 H new ATOM 0 HD11 ILE A 85 2.930 -1.028 -2.598 1.00 11.34 H new ATOM 0 HD12 ILE A 85 2.332 0.457 -3.375 1.00 11.34 H new ATOM 0 HD13 ILE A 85 1.189 -0.823 -2.904 1.00 11.34 H new ATOM 1367 N TRP A 86 -0.943 -1.250 -7.618 1.00 21.35 N ATOM 1368 CA TRP A 86 -1.817 -0.824 -8.705 1.00 25.22 C ATOM 1369 C TRP A 86 -3.283 -0.970 -8.315 1.00 45.05 C ATOM 1370 O TRP A 86 -4.100 -0.090 -8.595 1.00 24.52 O ATOM 1371 CB TRP A 86 -1.528 -1.639 -9.967 1.00 43.01 C ATOM 1372 CG TRP A 86 -2.373 -1.237 -11.139 1.00 64.21 C ATOM 1373 CD1 TRP A 86 -2.013 -0.407 -12.162 1.00 32.21 C ATOM 1374 CD2 TRP A 86 -3.718 -1.648 -11.405 1.00 50.50 C ATOM 1375 NE1 TRP A 86 -3.055 -0.277 -13.050 1.00 22.13 N ATOM 1376 CE2 TRP A 86 -4.112 -1.028 -12.608 1.00 71.40 C ATOM 1377 CE3 TRP A 86 -4.628 -2.479 -10.747 1.00 34.04 C ATOM 1378 CZ2 TRP A 86 -5.376 -1.215 -13.162 1.00 62.21 C ATOM 1379 CZ3 TRP A 86 -5.882 -2.662 -11.298 1.00 72.42 C ATOM 1380 CH2 TRP A 86 -6.246 -2.034 -12.496 1.00 72.03 C ATOM 0 H TRP A 86 -0.272 -1.974 -7.875 1.00 21.35 H new ATOM 0 HA TRP A 86 -1.618 0.229 -8.907 1.00 25.22 H new ATOM 0 HB2 TRP A 86 -0.476 -1.527 -10.231 1.00 43.01 H new ATOM 0 HB3 TRP A 86 -1.692 -2.695 -9.755 1.00 43.01 H new ATOM 0 HD1 TRP A 86 -1.052 0.076 -12.259 1.00 32.21 H new ATOM 0 HE1 TRP A 86 -3.043 0.287 -13.900 1.00 22.13 H new ATOM 0 HE3 TRP A 86 -4.356 -2.970 -9.824 1.00 34.04 H new ATOM 0 HZ2 TRP A 86 -5.659 -0.731 -14.085 1.00 62.21 H new ATOM 0 HZ3 TRP A 86 -6.594 -3.300 -10.796 1.00 72.42 H new ATOM 0 HH2 TRP A 86 -7.233 -2.200 -12.902 1.00 72.03 H new ATOM 1391 N CYS A 87 -3.611 -2.083 -7.669 1.00 3.42 N ATOM 1392 CA CYS A 87 -4.980 -2.343 -7.240 1.00 75.43 C ATOM 1393 C CYS A 87 -5.502 -1.207 -6.367 1.00 34.13 C ATOM 1394 O CYS A 87 -6.527 -0.596 -6.672 1.00 41.45 O ATOM 1395 CB CYS A 87 -5.056 -3.666 -6.477 1.00 3.32 C ATOM 1396 SG CYS A 87 -5.484 -5.089 -7.506 1.00 61.35 S ATOM 0 H CYS A 87 -2.947 -2.820 -7.431 1.00 3.42 H new ATOM 0 HA CYS A 87 -5.606 -2.410 -8.130 1.00 75.43 H new ATOM 0 HB2 CYS A 87 -4.094 -3.853 -5.999 1.00 3.32 H new ATOM 0 HB3 CYS A 87 -5.795 -3.572 -5.681 1.00 3.32 H new ATOM 0 HG CYS A 87 -5.521 -6.161 -6.771 1.00 61.35 H new ATOM 1402 N ILE A 88 -4.792 -0.931 -5.278 1.00 0.50 N ATOM 1403 CA ILE A 88 -5.185 0.131 -4.360 1.00 2.22 C ATOM 1404 C ILE A 88 -5.482 1.425 -5.110 1.00 73.23 C ATOM 1405 O ILE A 88 -6.393 2.170 -4.748 1.00 2.31 O ATOM 1406 CB ILE A 88 -4.090 0.400 -3.310 1.00 0.22 C ATOM 1407 CG1 ILE A 88 -3.797 -0.872 -2.511 1.00 3.53 C ATOM 1408 CG2 ILE A 88 -4.513 1.529 -2.382 1.00 44.35 C ATOM 1409 CD1 ILE A 88 -2.428 -0.877 -1.867 1.00 62.50 C ATOM 0 H ILE A 88 -3.942 -1.428 -5.010 1.00 0.50 H new ATOM 0 HA ILE A 88 -6.089 -0.208 -3.854 1.00 2.22 H new ATOM 0 HB ILE A 88 -3.178 0.702 -3.825 1.00 0.22 H new ATOM 0 HG12 ILE A 88 -4.555 -0.988 -1.736 1.00 3.53 H new ATOM 0 HG13 ILE A 88 -3.882 -1.735 -3.172 1.00 3.53 H new ATOM 0 HG21 ILE A 88 -3.729 1.708 -1.646 1.00 44.35 H new ATOM 0 HG22 ILE A 88 -4.678 2.436 -2.964 1.00 44.35 H new ATOM 0 HG23 ILE A 88 -5.435 1.253 -1.871 1.00 44.35 H new ATOM 0 HD11 ILE A 88 -2.288 -1.808 -1.317 1.00 62.50 H new ATOM 0 HD12 ILE A 88 -1.663 -0.793 -2.639 1.00 62.50 H new ATOM 0 HD13 ILE A 88 -2.346 -0.034 -1.181 1.00 62.50 H new ATOM 1421 N HIS A 89 -4.709 1.685 -6.160 1.00 30.41 N ATOM 1422 CA HIS A 89 -4.890 2.888 -6.965 1.00 20.12 C ATOM 1423 C HIS A 89 -6.116 2.758 -7.866 1.00 43.02 C ATOM 1424 O HIS A 89 -6.746 3.785 -8.114 1.00 32.01 O ATOM 1425 CB HIS A 89 -3.646 3.153 -7.814 1.00 21.13 C ATOM 1426 CG HIS A 89 -2.426 3.472 -7.004 1.00 60.20 C ATOM 1427 ND1 HIS A 89 -2.477 4.136 -5.796 1.00 11.10 N ATOM 1428 CD2 HIS A 89 -1.118 3.213 -7.234 1.00 50.33 C ATOM 1429 CE1 HIS A 89 -1.253 4.273 -5.320 1.00 25.31 C ATOM 1430 NE2 HIS A 89 -0.409 3.720 -6.174 1.00 2.44 N ATOM 0 H HIS A 89 -3.951 1.078 -6.473 1.00 30.41 H new ATOM 0 HA HIS A 89 -5.044 3.728 -6.288 1.00 20.12 H new ATOM 0 HB2 HIS A 89 -3.444 2.278 -8.431 1.00 21.13 H new ATOM 0 HB3 HIS A 89 -3.849 3.982 -8.493 1.00 21.13 H new ATOM 0 HD2 HIS A 89 -0.708 2.702 -8.093 1.00 50.33 H new ATOM 0 HE1 HIS A 89 -0.987 4.755 -4.391 1.00 25.31 H new ATOM 0 HE2 HIS A 89 0.604 3.677 -6.063 1.00 2.44 H new ATOM 1438 N ALA A 90 -6.456 1.566 -8.345 1.00 63.30 N ATOM 1439 CA ALA A 90 -7.618 1.393 -9.208 1.00 34.43 C ATOM 1440 C ALA A 90 -8.871 1.102 -8.388 1.00 14.52 C ATOM 1441 O ALA A 90 -9.874 0.628 -8.919 1.00 14.22 O ATOM 1442 CB ALA A 90 -7.370 0.275 -10.209 1.00 72.13 C ATOM 0 H ALA A 90 -5.943 0.706 -8.150 1.00 63.30 H new ATOM 0 HA ALA A 90 -7.778 2.324 -9.752 1.00 34.43 H new ATOM 0 HB1 ALA A 90 -8.246 0.157 -10.847 1.00 72.13 H new ATOM 0 HB2 ALA A 90 -6.504 0.522 -10.823 1.00 72.13 H new ATOM 0 HB3 ALA A 90 -7.182 -0.656 -9.675 1.00 72.13 H new ATOM 1448 N GLU A 91 -8.804 1.390 -7.092 1.00 33.14 N ATOM 1449 CA GLU A 91 -9.935 1.158 -6.199 1.00 64.12 C ATOM 1450 C GLU A 91 -10.243 -0.332 -6.089 1.00 24.21 C ATOM 1451 O GLU A 91 -11.308 -0.723 -5.613 1.00 1.22 O ATOM 1452 CB GLU A 91 -11.171 1.909 -6.698 1.00 44.45 C ATOM 1453 CG GLU A 91 -12.141 2.287 -5.593 1.00 42.41 C ATOM 1454 CD GLU A 91 -11.738 3.557 -4.871 1.00 4.12 C ATOM 1455 OE1 GLU A 91 -10.939 4.333 -5.438 1.00 21.11 O ATOM 1456 OE2 GLU A 91 -12.218 3.776 -3.739 1.00 51.42 O ATOM 0 H GLU A 91 -7.980 1.784 -6.637 1.00 33.14 H new ATOM 0 HA GLU A 91 -9.667 1.531 -5.211 1.00 64.12 H new ATOM 0 HB2 GLU A 91 -10.852 2.814 -7.215 1.00 44.45 H new ATOM 0 HB3 GLU A 91 -11.690 1.291 -7.430 1.00 44.45 H new ATOM 0 HG2 GLU A 91 -13.137 2.415 -6.017 1.00 42.41 H new ATOM 0 HG3 GLU A 91 -12.204 1.470 -4.875 1.00 42.41 H new ATOM 1463 N GLU A 92 -9.302 -1.160 -6.532 1.00 25.22 N ATOM 1464 CA GLU A 92 -9.473 -2.608 -6.483 1.00 41.24 C ATOM 1465 C GLU A 92 -9.171 -3.144 -5.088 1.00 34.42 C ATOM 1466 O GLU A 92 -8.211 -2.725 -4.442 1.00 23.23 O ATOM 1467 CB GLU A 92 -8.563 -3.286 -7.510 1.00 13.30 C ATOM 1468 CG GLU A 92 -8.993 -3.057 -8.950 1.00 15.33 C ATOM 1469 CD GLU A 92 -10.249 -3.825 -9.312 1.00 70.51 C ATOM 1470 OE1 GLU A 92 -10.866 -4.418 -8.403 1.00 33.54 O ATOM 1471 OE2 GLU A 92 -10.616 -3.833 -10.506 1.00 42.22 O ATOM 0 H GLU A 92 -8.414 -0.853 -6.929 1.00 25.22 H new ATOM 0 HA GLU A 92 -10.512 -2.834 -6.723 1.00 41.24 H new ATOM 0 HB2 GLU A 92 -7.545 -2.917 -7.381 1.00 13.30 H new ATOM 0 HB3 GLU A 92 -8.541 -4.358 -7.312 1.00 13.30 H new ATOM 0 HG2 GLU A 92 -9.164 -1.992 -9.109 1.00 15.33 H new ATOM 0 HG3 GLU A 92 -8.185 -3.354 -9.618 1.00 15.33 H new ATOM 1478 N LYS A 93 -10.000 -4.075 -4.626 1.00 73.44 N ATOM 1479 CA LYS A 93 -9.825 -4.672 -3.308 1.00 63.20 C ATOM 1480 C LYS A 93 -9.608 -6.177 -3.417 1.00 23.24 C ATOM 1481 O LYS A 93 -10.339 -6.871 -4.125 1.00 4.05 O ATOM 1482 CB LYS A 93 -11.044 -4.384 -2.428 1.00 44.43 C ATOM 1483 CG LYS A 93 -10.686 -3.863 -1.046 1.00 74.12 C ATOM 1484 CD LYS A 93 -11.870 -3.946 -0.097 1.00 32.12 C ATOM 1485 CE LYS A 93 -12.639 -2.635 -0.048 1.00 31.30 C ATOM 1486 NZ LYS A 93 -13.983 -2.802 0.570 1.00 21.35 N ATOM 0 H LYS A 93 -10.801 -4.432 -5.147 1.00 73.44 H new ATOM 0 HA LYS A 93 -8.941 -4.227 -2.850 1.00 63.20 H new ATOM 0 HB2 LYS A 93 -11.679 -3.654 -2.929 1.00 44.43 H new ATOM 0 HB3 LYS A 93 -11.630 -5.297 -2.323 1.00 44.43 H new ATOM 0 HG2 LYS A 93 -9.854 -4.440 -0.643 1.00 74.12 H new ATOM 0 HG3 LYS A 93 -10.350 -2.829 -1.121 1.00 74.12 H new ATOM 0 HD2 LYS A 93 -12.536 -4.748 -0.414 1.00 32.12 H new ATOM 0 HD3 LYS A 93 -11.519 -4.200 0.903 1.00 32.12 H new ATOM 0 HE2 LYS A 93 -12.068 -1.900 0.519 1.00 31.30 H new ATOM 0 HE3 LYS A 93 -12.750 -2.242 -1.058 1.00 31.30 H new ATOM 0 HZ1 LYS A 93 -14.475 -1.886 0.584 1.00 21.35 H new ATOM 0 HZ2 LYS A 93 -14.538 -3.484 0.015 1.00 21.35 H new ATOM 0 HZ3 LYS A 93 -13.876 -3.153 1.543 1.00 21.35 H new ATOM 1500 N VAL A 94 -8.600 -6.679 -2.709 1.00 13.53 N ATOM 1501 CA VAL A 94 -8.290 -8.103 -2.724 1.00 4.41 C ATOM 1502 C VAL A 94 -7.986 -8.614 -1.320 1.00 51.14 C ATOM 1503 O VAL A 94 -7.567 -7.853 -0.448 1.00 33.33 O ATOM 1504 CB VAL A 94 -7.088 -8.406 -3.640 1.00 12.11 C ATOM 1505 CG1 VAL A 94 -7.397 -8.009 -5.075 1.00 75.43 C ATOM 1506 CG2 VAL A 94 -5.842 -7.691 -3.138 1.00 34.35 C ATOM 0 H VAL A 94 -7.985 -6.120 -2.118 1.00 13.53 H new ATOM 0 HA VAL A 94 -9.171 -8.615 -3.111 1.00 4.41 H new ATOM 0 HB VAL A 94 -6.898 -9.479 -3.617 1.00 12.11 H new ATOM 0 HG11 VAL A 94 -6.537 -8.230 -5.707 1.00 75.43 H new ATOM 0 HG12 VAL A 94 -8.262 -8.570 -5.430 1.00 75.43 H new ATOM 0 HG13 VAL A 94 -7.614 -6.942 -5.119 1.00 75.43 H new ATOM 0 HG21 VAL A 94 -5.003 -7.916 -3.797 1.00 34.35 H new ATOM 0 HG22 VAL A 94 -6.018 -6.615 -3.130 1.00 34.35 H new ATOM 0 HG23 VAL A 94 -5.611 -8.029 -2.128 1.00 34.35 H new ATOM 1516 N LYS A 95 -8.199 -9.909 -1.109 1.00 0.51 N ATOM 1517 CA LYS A 95 -7.947 -10.524 0.189 1.00 42.40 C ATOM 1518 C LYS A 95 -6.480 -10.919 0.328 1.00 4.43 C ATOM 1519 O LYS A 95 -5.883 -10.760 1.393 1.00 12.32 O ATOM 1520 CB LYS A 95 -8.837 -11.755 0.373 1.00 20.45 C ATOM 1521 CG LYS A 95 -10.255 -11.421 0.803 1.00 43.05 C ATOM 1522 CD LYS A 95 -10.579 -12.010 2.166 1.00 30.20 C ATOM 1523 CE LYS A 95 -11.594 -11.160 2.913 1.00 13.42 C ATOM 1524 NZ LYS A 95 -12.419 -11.975 3.848 1.00 24.04 N ATOM 0 H LYS A 95 -8.546 -10.553 -1.820 1.00 0.51 H new ATOM 0 HA LYS A 95 -8.183 -9.793 0.962 1.00 42.40 H new ATOM 0 HB2 LYS A 95 -8.872 -12.311 -0.564 1.00 20.45 H new ATOM 0 HB3 LYS A 95 -8.386 -12.411 1.117 1.00 20.45 H new ATOM 0 HG2 LYS A 95 -10.381 -10.339 0.834 1.00 43.05 H new ATOM 0 HG3 LYS A 95 -10.960 -11.803 0.064 1.00 43.05 H new ATOM 0 HD2 LYS A 95 -10.969 -13.020 2.044 1.00 30.20 H new ATOM 0 HD3 LYS A 95 -9.666 -12.090 2.755 1.00 30.20 H new ATOM 0 HE2 LYS A 95 -11.075 -10.381 3.471 1.00 13.42 H new ATOM 0 HE3 LYS A 95 -12.245 -10.659 2.197 1.00 13.42 H new ATOM 0 HZ1 LYS A 95 -13.099 -11.359 4.338 1.00 24.04 H new ATOM 0 HZ2 LYS A 95 -12.934 -12.702 3.312 1.00 24.04 H new ATOM 0 HZ3 LYS A 95 -11.801 -12.433 4.547 1.00 24.04 H new ATOM 1538 N ASP A 96 -5.905 -11.432 -0.754 1.00 14.13 N ATOM 1539 CA ASP A 96 -4.507 -11.847 -0.753 1.00 14.13 C ATOM 1540 C ASP A 96 -3.784 -11.324 -1.990 1.00 54.20 C ATOM 1541 O ASP A 96 -4.378 -10.648 -2.831 1.00 42.22 O ATOM 1542 CB ASP A 96 -4.405 -13.372 -0.694 1.00 11.13 C ATOM 1543 CG ASP A 96 -5.225 -14.048 -1.775 1.00 65.34 C ATOM 1544 OD1 ASP A 96 -4.777 -14.057 -2.942 1.00 31.34 O ATOM 1545 OD2 ASP A 96 -6.312 -14.570 -1.455 1.00 34.34 O ATOM 0 H ASP A 96 -6.385 -11.570 -1.643 1.00 14.13 H new ATOM 0 HA ASP A 96 -4.029 -11.424 0.131 1.00 14.13 H new ATOM 0 HB2 ASP A 96 -3.361 -13.668 -0.795 1.00 11.13 H new ATOM 0 HB3 ASP A 96 -4.741 -13.718 0.283 1.00 11.13 H new ATOM 1550 N THR A 97 -2.497 -11.639 -2.096 1.00 22.44 N ATOM 1551 CA THR A 97 -1.693 -11.201 -3.228 1.00 45.53 C ATOM 1552 C THR A 97 -2.128 -11.894 -4.514 1.00 2.42 C ATOM 1553 O THR A 97 -2.311 -11.248 -5.546 1.00 21.24 O ATOM 1554 CB THR A 97 -0.195 -11.473 -2.993 1.00 24.41 C ATOM 1555 OG1 THR A 97 0.257 -10.761 -1.837 1.00 23.14 O ATOM 1556 CG2 THR A 97 0.628 -11.059 -4.204 1.00 15.10 C ATOM 0 H THR A 97 -1.989 -12.197 -1.410 1.00 22.44 H new ATOM 0 HA THR A 97 -1.848 -10.127 -3.328 1.00 45.53 H new ATOM 0 HB THR A 97 -0.064 -12.543 -2.834 1.00 24.41 H new ATOM 0 HG1 THR A 97 0.805 -9.998 -2.116 1.00 23.14 H new ATOM 0 HG21 THR A 97 1.682 -11.261 -4.014 1.00 15.10 H new ATOM 0 HG22 THR A 97 0.302 -11.625 -5.076 1.00 15.10 H new ATOM 0 HG23 THR A 97 0.490 -9.994 -4.391 1.00 15.10 H new ATOM 1564 N GLU A 98 -2.292 -13.211 -4.444 1.00 52.32 N ATOM 1565 CA GLU A 98 -2.708 -13.990 -5.605 1.00 24.14 C ATOM 1566 C GLU A 98 -3.962 -13.397 -6.239 1.00 40.21 C ATOM 1567 O GLU A 98 -4.135 -13.439 -7.456 1.00 63.33 O ATOM 1568 CB GLU A 98 -2.964 -15.444 -5.205 1.00 74.50 C ATOM 1569 CG GLU A 98 -1.705 -16.198 -4.806 1.00 74.25 C ATOM 1570 CD GLU A 98 -1.642 -17.588 -5.411 1.00 12.23 C ATOM 1571 OE1 GLU A 98 -2.639 -18.331 -5.295 1.00 64.22 O ATOM 1572 OE2 GLU A 98 -0.595 -17.930 -5.999 1.00 20.52 O ATOM 0 H GLU A 98 -2.144 -13.760 -3.598 1.00 52.32 H new ATOM 0 HA GLU A 98 -1.903 -13.958 -6.339 1.00 24.14 H new ATOM 0 HB2 GLU A 98 -3.668 -15.464 -4.373 1.00 74.50 H new ATOM 0 HB3 GLU A 98 -3.439 -15.963 -6.038 1.00 74.50 H new ATOM 0 HG2 GLU A 98 -0.830 -15.629 -5.120 1.00 74.25 H new ATOM 0 HG3 GLU A 98 -1.661 -16.276 -3.720 1.00 74.25 H new ATOM 1579 N GLY A 99 -4.835 -12.843 -5.403 1.00 61.05 N ATOM 1580 CA GLY A 99 -6.063 -12.250 -5.900 1.00 60.13 C ATOM 1581 C GLY A 99 -5.810 -11.019 -6.748 1.00 20.40 C ATOM 1582 O GLY A 99 -6.460 -10.821 -7.774 1.00 44.41 O ATOM 0 H GLY A 99 -4.714 -12.794 -4.391 1.00 61.05 H new ATOM 0 HA2 GLY A 99 -6.607 -12.988 -6.490 1.00 60.13 H new ATOM 0 HA3 GLY A 99 -6.701 -11.982 -5.057 1.00 60.13 H new ATOM 1586 N ALA A 100 -4.865 -10.190 -6.318 1.00 52.33 N ATOM 1587 CA ALA A 100 -4.528 -8.972 -7.046 1.00 63.20 C ATOM 1588 C ALA A 100 -3.896 -9.297 -8.395 1.00 10.31 C ATOM 1589 O ALA A 100 -4.147 -8.616 -9.389 1.00 45.42 O ATOM 1590 CB ALA A 100 -3.592 -8.105 -6.217 1.00 40.02 C ATOM 0 H ALA A 100 -4.319 -10.339 -5.469 1.00 52.33 H new ATOM 0 HA ALA A 100 -5.450 -8.420 -7.230 1.00 63.20 H new ATOM 0 HB1 ALA A 100 -3.348 -7.199 -6.772 1.00 40.02 H new ATOM 0 HB2 ALA A 100 -4.079 -7.836 -5.280 1.00 40.02 H new ATOM 0 HB3 ALA A 100 -2.677 -8.658 -6.005 1.00 40.02 H new ATOM 1596 N LYS A 101 -3.075 -10.340 -8.424 1.00 25.43 N ATOM 1597 CA LYS A 101 -2.406 -10.756 -9.651 1.00 14.25 C ATOM 1598 C LYS A 101 -3.423 -11.168 -10.710 1.00 70.33 C ATOM 1599 O LYS A 101 -3.174 -11.030 -11.908 1.00 31.00 O ATOM 1600 CB LYS A 101 -1.450 -11.917 -9.367 1.00 3.41 C ATOM 1601 CG LYS A 101 -0.021 -11.648 -9.807 1.00 73.44 C ATOM 1602 CD LYS A 101 0.641 -12.906 -10.346 1.00 43.12 C ATOM 1603 CE LYS A 101 0.329 -13.113 -11.820 1.00 34.40 C ATOM 1604 NZ LYS A 101 0.343 -14.555 -12.192 1.00 43.13 N ATOM 0 H LYS A 101 -2.856 -10.914 -7.610 1.00 25.43 H new ATOM 0 HA LYS A 101 -1.835 -9.909 -10.030 1.00 14.25 H new ATOM 0 HB2 LYS A 101 -1.458 -12.131 -8.298 1.00 3.41 H new ATOM 0 HB3 LYS A 101 -1.816 -12.810 -9.874 1.00 3.41 H new ATOM 0 HG2 LYS A 101 -0.015 -10.875 -10.575 1.00 73.44 H new ATOM 0 HG3 LYS A 101 0.555 -11.265 -8.964 1.00 73.44 H new ATOM 0 HD2 LYS A 101 1.720 -12.838 -10.208 1.00 43.12 H new ATOM 0 HD3 LYS A 101 0.300 -13.770 -9.776 1.00 43.12 H new ATOM 0 HE2 LYS A 101 -0.649 -12.689 -12.047 1.00 34.40 H new ATOM 0 HE3 LYS A 101 1.059 -12.575 -12.425 1.00 34.40 H new ATOM 0 HZ1 LYS A 101 0.126 -14.655 -13.204 1.00 43.13 H new ATOM 0 HZ2 LYS A 101 1.284 -14.954 -11.999 1.00 43.13 H new ATOM 0 HZ3 LYS A 101 -0.371 -15.065 -11.633 1.00 43.13 H new ATOM 1618 N GLN A 102 -4.567 -11.673 -10.262 1.00 51.42 N ATOM 1619 CA GLN A 102 -5.622 -12.104 -11.173 1.00 45.35 C ATOM 1620 C GLN A 102 -6.364 -10.905 -11.753 1.00 41.02 C ATOM 1621 O GLN A 102 -6.604 -10.835 -12.959 1.00 60.22 O ATOM 1622 CB GLN A 102 -6.604 -13.026 -10.450 1.00 61.34 C ATOM 1623 CG GLN A 102 -6.204 -14.493 -10.490 1.00 55.53 C ATOM 1624 CD GLN A 102 -6.980 -15.336 -9.498 1.00 32.41 C ATOM 1625 OE1 GLN A 102 -6.485 -15.656 -8.416 1.00 54.15 O ATOM 1626 NE2 GLN A 102 -8.204 -15.702 -9.861 1.00 13.44 N ATOM 0 H GLN A 102 -4.788 -11.794 -9.274 1.00 51.42 H new ATOM 0 HA GLN A 102 -5.158 -12.652 -11.993 1.00 45.35 H new ATOM 0 HB2 GLN A 102 -6.689 -12.709 -9.410 1.00 61.34 H new ATOM 0 HB3 GLN A 102 -7.591 -12.915 -10.898 1.00 61.34 H new ATOM 0 HG2 GLN A 102 -6.364 -14.882 -11.495 1.00 55.53 H new ATOM 0 HG3 GLN A 102 -5.138 -14.581 -10.280 1.00 55.53 H new ATOM 0 HE21 GLN A 102 -8.575 -15.415 -10.767 1.00 13.44 H new ATOM 0 HE22 GLN A 102 -8.773 -16.270 -9.234 1.00 13.44 H new ATOM 1635 N ILE A 103 -6.725 -9.963 -10.888 1.00 24.42 N ATOM 1636 CA ILE A 103 -7.438 -8.767 -11.315 1.00 54.40 C ATOM 1637 C ILE A 103 -6.588 -7.928 -12.263 1.00 72.53 C ATOM 1638 O ILE A 103 -7.049 -7.516 -13.328 1.00 21.10 O ATOM 1639 CB ILE A 103 -7.853 -7.899 -10.112 1.00 11.11 C ATOM 1640 CG1 ILE A 103 -8.737 -8.703 -9.156 1.00 34.11 C ATOM 1641 CG2 ILE A 103 -8.578 -6.648 -10.586 1.00 2.12 C ATOM 1642 CD1 ILE A 103 -9.002 -8.001 -7.843 1.00 31.43 C ATOM 0 H ILE A 103 -6.535 -10.006 -9.887 1.00 24.42 H new ATOM 0 HA ILE A 103 -8.334 -9.104 -11.836 1.00 54.40 H new ATOM 0 HB ILE A 103 -6.954 -7.594 -9.576 1.00 11.11 H new ATOM 0 HG12 ILE A 103 -9.688 -8.914 -9.644 1.00 34.11 H new ATOM 0 HG13 ILE A 103 -8.262 -9.663 -8.956 1.00 34.11 H new ATOM 0 HG21 ILE A 103 -8.865 -6.045 -9.724 1.00 2.12 H new ATOM 0 HG22 ILE A 103 -7.919 -6.068 -11.231 1.00 2.12 H new ATOM 0 HG23 ILE A 103 -9.471 -6.934 -11.142 1.00 2.12 H new ATOM 0 HD11 ILE A 103 -9.635 -8.629 -7.216 1.00 31.43 H new ATOM 0 HD12 ILE A 103 -8.057 -7.814 -7.333 1.00 31.43 H new ATOM 0 HD13 ILE A 103 -9.506 -7.053 -8.032 1.00 31.43 H new ATOM 1654 N VAL A 104 -5.343 -7.680 -11.870 1.00 22.03 N ATOM 1655 CA VAL A 104 -4.426 -6.893 -12.686 1.00 12.22 C ATOM 1656 C VAL A 104 -4.165 -7.570 -14.026 1.00 44.33 C ATOM 1657 O VAL A 104 -4.278 -6.944 -15.082 1.00 20.53 O ATOM 1658 CB VAL A 104 -3.084 -6.669 -11.965 1.00 25.12 C ATOM 1659 CG1 VAL A 104 -2.117 -5.910 -12.861 1.00 24.13 C ATOM 1660 CG2 VAL A 104 -3.300 -5.930 -10.653 1.00 33.44 C ATOM 0 H VAL A 104 -4.946 -8.013 -10.991 1.00 22.03 H new ATOM 0 HA VAL A 104 -4.903 -5.928 -12.857 1.00 12.22 H new ATOM 0 HB VAL A 104 -2.646 -7.641 -11.739 1.00 25.12 H new ATOM 0 HG11 VAL A 104 -1.174 -5.761 -12.335 1.00 24.13 H new ATOM 0 HG12 VAL A 104 -1.938 -6.483 -13.771 1.00 24.13 H new ATOM 0 HG13 VAL A 104 -2.545 -4.942 -13.120 1.00 24.13 H new ATOM 0 HG21 VAL A 104 -2.341 -5.781 -10.157 1.00 33.44 H new ATOM 0 HG22 VAL A 104 -3.760 -4.962 -10.852 1.00 33.44 H new ATOM 0 HG23 VAL A 104 -3.954 -6.517 -10.008 1.00 33.44 H new ATOM 1670 N ARG A 105 -3.815 -8.850 -13.978 1.00 72.55 N ATOM 1671 CA ARG A 105 -3.536 -9.613 -15.189 1.00 30.33 C ATOM 1672 C ARG A 105 -4.682 -9.483 -16.189 1.00 21.13 C ATOM 1673 O ARG A 105 -4.466 -9.154 -17.355 1.00 42.53 O ATOM 1674 CB ARG A 105 -3.306 -11.087 -14.849 1.00 14.33 C ATOM 1675 CG ARG A 105 -2.907 -11.933 -16.046 1.00 25.44 C ATOM 1676 CD ARG A 105 -3.662 -13.253 -16.071 1.00 74.14 C ATOM 1677 NE ARG A 105 -3.047 -14.218 -16.980 1.00 15.33 N ATOM 1678 CZ ARG A 105 -3.425 -15.488 -17.067 1.00 42.13 C ATOM 1679 NH1 ARG A 105 -4.409 -15.944 -16.306 1.00 60.32 N ATOM 1680 NH2 ARG A 105 -2.817 -16.304 -17.919 1.00 62.32 N ATOM 0 H ARG A 105 -3.718 -9.382 -13.113 1.00 72.55 H new ATOM 0 HA ARG A 105 -2.632 -9.208 -15.643 1.00 30.33 H new ATOM 0 HB2 ARG A 105 -2.528 -11.159 -14.089 1.00 14.33 H new ATOM 0 HB3 ARG A 105 -4.217 -11.497 -14.413 1.00 14.33 H new ATOM 0 HG2 ARG A 105 -3.105 -11.382 -16.965 1.00 25.44 H new ATOM 0 HG3 ARG A 105 -1.835 -12.126 -16.015 1.00 25.44 H new ATOM 0 HD2 ARG A 105 -3.694 -13.672 -15.065 1.00 74.14 H new ATOM 0 HD3 ARG A 105 -4.694 -13.075 -16.375 1.00 74.14 H new ATOM 0 HE ARG A 105 -2.286 -13.899 -17.580 1.00 15.33 H new ATOM 0 HH11 ARG A 105 -4.879 -15.319 -15.651 1.00 60.32 H new ATOM 0 HH12 ARG A 105 -4.697 -16.920 -16.375 1.00 60.32 H new ATOM 0 HH21 ARG A 105 -2.060 -15.956 -18.507 1.00 62.32 H new ATOM 0 HH22 ARG A 105 -3.107 -17.280 -17.986 1.00 62.32 H new ATOM 1694 N ARG A 106 -5.898 -9.746 -15.724 1.00 13.22 N ATOM 1695 CA ARG A 106 -7.078 -9.660 -16.577 1.00 1.52 C ATOM 1696 C ARG A 106 -7.208 -8.267 -17.186 1.00 34.24 C ATOM 1697 O ARG A 106 -7.513 -8.122 -18.370 1.00 43.12 O ATOM 1698 CB ARG A 106 -8.337 -9.999 -15.778 1.00 12.44 C ATOM 1699 CG ARG A 106 -8.992 -11.304 -16.198 1.00 74.24 C ATOM 1700 CD ARG A 106 -9.875 -11.115 -17.422 1.00 41.54 C ATOM 1701 NE ARG A 106 -9.990 -12.340 -18.209 1.00 34.01 N ATOM 1702 CZ ARG A 106 -10.366 -12.362 -19.483 1.00 34.42 C ATOM 1703 NH1 ARG A 106 -10.661 -11.233 -20.111 1.00 13.31 N ATOM 1704 NH2 ARG A 106 -10.447 -13.517 -20.131 1.00 63.42 N ATOM 0 H ARG A 106 -6.093 -10.021 -14.761 1.00 13.22 H new ATOM 0 HA ARG A 106 -6.964 -10.382 -17.386 1.00 1.52 H new ATOM 0 HB2 ARG A 106 -8.081 -10.055 -14.720 1.00 12.44 H new ATOM 0 HB3 ARG A 106 -9.057 -9.188 -15.890 1.00 12.44 H new ATOM 0 HG2 ARG A 106 -8.223 -12.046 -16.414 1.00 74.24 H new ATOM 0 HG3 ARG A 106 -9.589 -11.695 -15.374 1.00 74.24 H new ATOM 0 HD2 ARG A 106 -10.867 -10.792 -17.107 1.00 41.54 H new ATOM 0 HD3 ARG A 106 -9.465 -10.321 -18.046 1.00 41.54 H new ATOM 0 HE ARG A 106 -9.770 -13.227 -17.756 1.00 34.01 H new ATOM 0 HH11 ARG A 106 -10.600 -10.343 -19.616 1.00 13.31 H new ATOM 0 HH12 ARG A 106 -10.949 -11.254 -21.089 1.00 13.31 H new ATOM 0 HH21 ARG A 106 -10.221 -14.388 -19.651 1.00 63.42 H new ATOM 0 HH22 ARG A 106 -10.736 -13.534 -21.109 1.00 63.42 H new ATOM 1718 N HIS A 107 -6.976 -7.245 -16.368 1.00 10.53 N ATOM 1719 CA HIS A 107 -7.068 -5.862 -16.825 1.00 62.14 C ATOM 1720 C HIS A 107 -6.047 -5.587 -17.926 1.00 53.11 C ATOM 1721 O HIS A 107 -6.430 -4.946 -18.906 1.00 1.41 O ATOM 1722 CB HIS A 107 -6.847 -4.901 -15.657 1.00 52.23 C ATOM 1723 CG HIS A 107 -8.077 -4.664 -14.836 1.00 41.23 C ATOM 1724 ND1 HIS A 107 -9.310 -4.390 -15.389 1.00 5.51 N ATOM 1725 CD2 HIS A 107 -8.259 -4.662 -13.495 1.00 14.25 C ATOM 1726 CE1 HIS A 107 -10.197 -4.228 -14.423 1.00 71.53 C ATOM 1727 NE2 HIS A 107 -9.585 -4.390 -13.264 1.00 3.23 N ATOM 0 H HIS A 107 -6.723 -7.348 -15.385 1.00 10.53 H new ATOM 0 HA HIS A 107 -8.067 -5.704 -17.231 1.00 62.14 H new ATOM 0 HB2 HIS A 107 -6.062 -5.298 -15.014 1.00 52.23 H new ATOM 0 HB3 HIS A 107 -6.489 -3.947 -16.045 1.00 52.23 H new ATOM 0 HD2 HIS A 107 -7.502 -4.841 -12.746 1.00 14.25 H new ATOM 0 HE1 HIS A 107 -11.244 -4.002 -14.558 1.00 71.53 H new ATOM 0 HE2 HIS A 107 -10.026 -4.324 -12.346 1.00 3.23 H new ATOM 1735 N LEU A 108 -4.804 -6.037 -17.798 1.00 20.31 N ATOM 1736 CA LEU A 108 -3.795 -5.799 -18.823 1.00 41.23 C ATOM 1737 C LEU A 108 -4.192 -6.455 -20.141 1.00 43.14 C ATOM 1738 O LEU A 108 -4.175 -5.817 -21.195 1.00 15.23 O ATOM 1739 CB LEU A 108 -2.437 -6.333 -18.364 1.00 64.01 C ATOM 1740 CG LEU A 108 -1.852 -5.688 -17.106 1.00 34.44 C ATOM 1741 CD1 LEU A 108 -0.650 -6.477 -16.611 1.00 35.23 C ATOM 1742 CD2 LEU A 108 -1.469 -4.241 -17.377 1.00 70.25 C ATOM 0 H LEU A 108 -4.471 -6.569 -16.994 1.00 20.31 H new ATOM 0 HA LEU A 108 -3.721 -4.723 -18.981 1.00 41.23 H new ATOM 0 HB2 LEU A 108 -2.531 -7.405 -18.188 1.00 64.01 H new ATOM 0 HB3 LEU A 108 -1.724 -6.205 -19.179 1.00 64.01 H new ATOM 0 HG LEU A 108 -2.614 -5.700 -16.327 1.00 34.44 H new ATOM 0 HD11 LEU A 108 -0.247 -6.003 -15.716 1.00 35.23 H new ATOM 0 HD12 LEU A 108 -0.956 -7.496 -16.376 1.00 35.23 H new ATOM 0 HD13 LEU A 108 0.116 -6.498 -17.386 1.00 35.23 H new ATOM 0 HD21 LEU A 108 -1.055 -3.798 -16.471 1.00 70.25 H new ATOM 0 HD22 LEU A 108 -0.724 -4.205 -18.172 1.00 70.25 H new ATOM 0 HD23 LEU A 108 -2.353 -3.682 -17.682 1.00 70.25 H new