USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 834 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 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 36 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Set 2.1: A 32 HIS : no HD1:sc= -1.2 X(o=-0.74,f=-0.69) USER MOD Set 2.2: A 33 THR OG1 : rot -137:sc= 0.459 USER MOD Single : A 13 THR OG1 : rot 47:sc= 0.0754 USER MOD Single : A 24 GLN : amide:sc= -0.428 K(o=-0.43,f=-2!) USER MOD Single : A 29 CYS SG : rot 138:sc= -4.02! USER MOD Single : A 30 HIS : no HD1:sc= -1.98! K(o=-2!,f=-0.74) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot -20:sc= -4.14! USER MOD Single : A 42 SER OG : rot -68:sc= 0.705 USER MOD Single : A 51 GLN : amide:sc= -1.16 K(o=-1.2,f=-4.5!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.799 USER MOD Single : A 62 LYS NZ :NH3+ -142:sc= -1.11! (180deg=-2.66!) USER MOD Single : A 63 LYS NZ :NH3+ -152:sc= -0.902 (180deg=-1.6!) USER MOD Single : A 65 MET CE :methyl -177:sc= -6.1! (180deg=-6.73!) USER MOD Single : A 70 GLN : amide:sc= -0.387 X(o=-0.39,f=-0.38) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -3.62! C(o=-3.6!,f=-3.5!) USER MOD Single : A 76 GLN : amide:sc= -0.201 K(o=-0.2,f=-2.1!) USER MOD Single : A 84 HIS : no HD1:sc= -4.39! C(o=-4.4!,f=-2.1!) USER MOD Single : A 86 SER OG : rot 74:sc= 1.06 USER MOD Single : A 88 MET CE :methyl 143:sc= -0.0121 (180deg=-0.205) USER MOD Single : A 91 HIS : no HE2:sc= -3.6! C(o=-3.6!,f=-6.4!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -65:sc= -2.14! USER MOD Single : A 97 GLN : amide:sc= -3.96! K(o=-4!,f=-0.2) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N THR A 13 -4.493 11.765 7.057 1.00 0.00 N ATOM 143 CA THR A 13 -3.963 10.431 7.281 1.00 0.00 C ATOM 144 C THR A 13 -2.482 10.502 7.658 1.00 0.00 C ATOM 145 O THR A 13 -1.718 11.250 7.050 1.00 0.00 O ATOM 146 CB THR A 13 -4.230 9.599 6.025 1.00 0.00 C ATOM 147 OG1 THR A 13 -5.638 9.382 6.046 1.00 0.00 O ATOM 148 CG2 THR A 13 -3.635 8.193 6.116 1.00 0.00 C ATOM 0 HA THR A 13 -4.458 9.945 8.122 1.00 0.00 H new ATOM 0 HB THR A 13 -3.818 10.112 5.156 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.097 10.227 6.234 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.853 7.645 5.199 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.555 8.263 6.249 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.072 7.667 6.965 1.00 0.00 H new ATOM 156 N LEU A 14 -2.121 9.714 8.660 1.00 0.00 N ATOM 157 CA LEU A 14 -0.745 9.678 9.126 1.00 0.00 C ATOM 158 C LEU A 14 -0.015 8.513 8.456 1.00 0.00 C ATOM 159 O LEU A 14 -0.628 7.501 8.120 1.00 0.00 O ATOM 160 CB LEU A 14 -0.698 9.635 10.655 1.00 0.00 C ATOM 161 CG LEU A 14 -1.484 10.729 11.381 1.00 0.00 C ATOM 162 CD1 LEU A 14 -2.185 10.170 12.621 1.00 0.00 C ATOM 163 CD2 LEU A 14 -0.583 11.918 11.720 1.00 0.00 C ATOM 0 H LEU A 14 -2.758 9.095 9.162 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.222 10.590 8.839 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.074 8.666 10.983 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.344 9.695 10.969 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.261 11.094 10.709 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.736 10.968 13.118 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.877 9.382 12.324 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.442 9.761 13.306 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.166 12.681 12.235 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.230 11.586 12.365 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.170 12.335 10.801 1.00 0.00 H new ATOM 175 N ILE A 15 1.286 8.694 8.280 1.00 0.00 N ATOM 176 CA ILE A 15 2.107 7.671 7.656 1.00 0.00 C ATOM 177 C ILE A 15 2.066 6.400 8.507 1.00 0.00 C ATOM 178 O ILE A 15 1.807 5.313 7.994 1.00 0.00 O ATOM 179 CB ILE A 15 3.522 8.198 7.406 1.00 0.00 C ATOM 180 CG1 ILE A 15 4.327 7.219 6.548 1.00 0.00 C ATOM 181 CG2 ILE A 15 4.228 8.521 8.724 1.00 0.00 C ATOM 182 CD1 ILE A 15 5.671 7.826 6.140 1.00 0.00 C ATOM 0 H ILE A 15 1.792 9.535 8.559 1.00 0.00 H new ATOM 0 HA ILE A 15 1.710 7.411 6.675 1.00 0.00 H new ATOM 0 HB ILE A 15 3.446 9.130 6.846 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.494 6.296 7.103 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.757 6.957 5.657 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.231 8.893 8.518 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.662 9.281 9.263 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.294 7.619 9.332 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.224 7.110 5.531 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.500 8.736 5.565 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.249 8.065 7.033 1.00 0.00 H new ATOM 194 N GLU A 16 2.325 6.580 9.794 1.00 0.00 N ATOM 195 CA GLU A 16 2.321 5.461 10.722 1.00 0.00 C ATOM 196 C GLU A 16 0.933 4.818 10.771 1.00 0.00 C ATOM 197 O GLU A 16 0.780 3.702 11.264 1.00 0.00 O ATOM 198 CB GLU A 16 2.770 5.903 12.116 1.00 0.00 C ATOM 199 CG GLU A 16 4.231 6.356 12.103 1.00 0.00 C ATOM 200 CD GLU A 16 4.639 6.932 13.461 1.00 0.00 C ATOM 201 OE1 GLU A 16 3.767 7.567 14.092 1.00 0.00 O ATOM 202 OE2 GLU A 16 5.813 6.725 13.836 1.00 0.00 O ATOM 0 H GLU A 16 2.539 7.484 10.216 1.00 0.00 H new ATOM 0 HA GLU A 16 3.033 4.716 10.366 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.136 6.718 12.465 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.647 5.080 12.820 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.875 5.512 11.854 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.375 7.108 11.327 1.00 0.00 H new ATOM 209 N ASP A 17 -0.042 5.550 10.253 1.00 0.00 N ATOM 210 CA ASP A 17 -1.411 5.065 10.231 1.00 0.00 C ATOM 211 C ASP A 17 -1.620 4.194 8.991 1.00 0.00 C ATOM 212 O ASP A 17 -2.426 3.264 9.009 1.00 0.00 O ATOM 213 CB ASP A 17 -2.406 6.225 10.167 1.00 0.00 C ATOM 214 CG ASP A 17 -3.231 6.441 11.437 1.00 0.00 C ATOM 215 OD1 ASP A 17 -2.667 6.205 12.527 1.00 0.00 O ATOM 216 OD2 ASP A 17 -4.407 6.838 11.290 1.00 0.00 O ATOM 0 H ASP A 17 0.089 6.476 9.845 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.580 4.495 11.144 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.859 7.142 9.947 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.088 6.053 9.334 1.00 0.00 H new ATOM 221 N VAL A 18 -0.880 4.525 7.943 1.00 0.00 N ATOM 222 CA VAL A 18 -0.974 3.785 6.696 1.00 0.00 C ATOM 223 C VAL A 18 0.132 2.729 6.650 1.00 0.00 C ATOM 224 O VAL A 18 0.042 1.764 5.894 1.00 0.00 O ATOM 225 CB VAL A 18 -0.929 4.750 5.510 1.00 0.00 C ATOM 226 CG1 VAL A 18 -1.069 3.998 4.185 1.00 0.00 C ATOM 227 CG2 VAL A 18 -2.002 5.832 5.642 1.00 0.00 C ATOM 0 H VAL A 18 -0.212 5.296 7.932 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.927 3.260 6.634 1.00 0.00 H new ATOM 0 HB VAL A 18 0.044 5.241 5.515 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.034 4.708 3.358 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.252 3.283 4.084 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.021 3.467 4.167 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.948 6.504 4.786 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.987 5.366 5.675 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.837 6.398 6.559 1.00 0.00 H new ATOM 237 N LEU A 19 1.150 2.949 7.470 1.00 0.00 N ATOM 238 CA LEU A 19 2.272 2.028 7.532 1.00 0.00 C ATOM 239 C LEU A 19 1.987 0.953 8.583 1.00 0.00 C ATOM 240 O LEU A 19 2.325 -0.214 8.390 1.00 0.00 O ATOM 241 CB LEU A 19 3.577 2.790 7.771 1.00 0.00 C ATOM 242 CG LEU A 19 4.278 3.328 6.522 1.00 0.00 C ATOM 243 CD1 LEU A 19 5.262 2.301 5.960 1.00 0.00 C ATOM 244 CD2 LEU A 19 3.259 3.780 5.474 1.00 0.00 C ATOM 0 H LEU A 19 1.221 3.751 8.096 1.00 0.00 H new ATOM 0 HA LEU A 19 2.398 1.516 6.578 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.369 3.628 8.436 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.268 2.131 8.296 1.00 0.00 H new ATOM 0 HG LEU A 19 4.858 4.206 6.807 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.746 2.709 5.073 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.017 2.071 6.712 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.725 1.390 5.694 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.783 4.158 4.596 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.633 2.935 5.187 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.634 4.569 5.891 1.00 0.00 H new ATOM 256 N ARG A 20 1.366 1.384 9.671 1.00 0.00 N ATOM 257 CA ARG A 20 1.031 0.473 10.752 1.00 0.00 C ATOM 258 C ARG A 20 0.583 -0.877 10.189 1.00 0.00 C ATOM 259 O ARG A 20 1.108 -1.920 10.575 1.00 0.00 O ATOM 260 CB ARG A 20 -0.083 1.047 11.631 1.00 0.00 C ATOM 261 CG ARG A 20 0.449 1.421 13.016 1.00 0.00 C ATOM 262 CD ARG A 20 0.876 0.175 13.794 1.00 0.00 C ATOM 263 NE ARG A 20 1.640 0.567 14.999 1.00 0.00 N ATOM 264 CZ ARG A 20 1.771 -0.200 16.089 1.00 0.00 C ATOM 265 NH1 ARG A 20 1.188 -1.406 16.133 1.00 0.00 N ATOM 266 NH2 ARG A 20 2.483 0.238 17.136 1.00 0.00 N ATOM 0 H ARG A 20 1.086 2.352 9.827 1.00 0.00 H new ATOM 0 HA ARG A 20 1.925 0.338 11.361 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.512 1.927 11.152 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.885 0.316 11.731 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.297 2.098 12.913 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.320 1.956 13.573 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.002 -0.402 14.082 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.486 -0.468 13.160 1.00 0.00 H new ATOM 0 HE ARG A 20 2.096 1.479 15.000 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.645 -1.739 15.337 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.287 -1.991 16.963 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.926 1.156 17.103 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.582 -0.347 17.966 1.00 0.00 H new ATOM 280 N PRO A 21 -0.410 -0.811 9.262 1.00 0.00 N ATOM 281 CA PRO A 21 -0.935 -2.016 8.642 1.00 0.00 C ATOM 282 C PRO A 21 0.044 -2.571 7.605 1.00 0.00 C ATOM 283 O PRO A 21 0.485 -3.714 7.712 1.00 0.00 O ATOM 284 CB PRO A 21 -2.267 -1.600 8.038 1.00 0.00 C ATOM 285 CG PRO A 21 -2.222 -0.083 7.937 1.00 0.00 C ATOM 286 CD PRO A 21 -1.057 0.406 8.781 1.00 0.00 C ATOM 0 HA PRO A 21 -1.072 -2.829 9.354 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.410 -2.053 7.057 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.098 -1.926 8.663 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.098 0.227 6.899 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.158 0.351 8.290 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.370 1.014 8.193 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.401 1.025 9.609 1.00 0.00 H new ATOM 294 N LEU A 22 0.355 -1.734 6.626 1.00 0.00 N ATOM 295 CA LEU A 22 1.274 -2.127 5.570 1.00 0.00 C ATOM 296 C LEU A 22 2.487 -2.823 6.190 1.00 0.00 C ATOM 297 O LEU A 22 3.136 -3.642 5.540 1.00 0.00 O ATOM 298 CB LEU A 22 1.635 -0.922 4.699 1.00 0.00 C ATOM 299 CG LEU A 22 0.701 -0.644 3.519 1.00 0.00 C ATOM 300 CD1 LEU A 22 1.023 0.704 2.872 1.00 0.00 C ATOM 301 CD2 LEU A 22 0.740 -1.790 2.507 1.00 0.00 C ATOM 0 H LEU A 22 -0.012 -0.786 6.541 1.00 0.00 H new ATOM 0 HA LEU A 22 0.801 -2.845 4.900 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.661 -0.036 5.333 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.644 -1.067 4.312 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.320 -0.584 3.897 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.345 0.878 2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.903 1.499 3.608 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.051 0.698 2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.067 -1.567 1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.755 -1.907 2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.425 -2.714 2.992 1.00 0.00 H new ATOM 313 N GLU A 23 2.757 -2.473 7.439 1.00 0.00 N ATOM 314 CA GLU A 23 3.881 -3.055 8.153 1.00 0.00 C ATOM 315 C GLU A 23 3.442 -4.319 8.895 1.00 0.00 C ATOM 316 O GLU A 23 4.177 -5.304 8.939 1.00 0.00 O ATOM 317 CB GLU A 23 4.502 -2.041 9.116 1.00 0.00 C ATOM 318 CG GLU A 23 5.377 -1.035 8.365 1.00 0.00 C ATOM 319 CD GLU A 23 6.523 -0.539 9.249 1.00 0.00 C ATOM 320 OE1 GLU A 23 7.138 -1.398 9.916 1.00 0.00 O ATOM 321 OE2 GLU A 23 6.758 0.689 9.236 1.00 0.00 O ATOM 0 H GLU A 23 2.217 -1.794 7.975 1.00 0.00 H new ATOM 0 HA GLU A 23 4.645 -3.332 7.426 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.713 -1.513 9.652 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.101 -2.563 9.863 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.781 -1.499 7.466 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.770 -0.189 8.042 1.00 0.00 H new ATOM 328 N GLN A 24 2.245 -4.249 9.459 1.00 0.00 N ATOM 329 CA GLN A 24 1.700 -5.376 10.197 1.00 0.00 C ATOM 330 C GLN A 24 1.434 -6.550 9.253 1.00 0.00 C ATOM 331 O GLN A 24 1.506 -7.708 9.661 1.00 0.00 O ATOM 332 CB GLN A 24 0.427 -4.976 10.946 1.00 0.00 C ATOM 333 CG GLN A 24 -0.818 -5.262 10.104 1.00 0.00 C ATOM 334 CD GLN A 24 -2.092 -4.879 10.860 1.00 0.00 C ATOM 335 OE1 GLN A 24 -2.350 -3.721 11.146 1.00 0.00 O ATOM 336 NE2 GLN A 24 -2.870 -5.913 11.167 1.00 0.00 N ATOM 0 H GLN A 24 1.638 -3.430 9.420 1.00 0.00 H new ATOM 0 HA GLN A 24 2.435 -5.690 10.938 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.367 -5.523 11.887 1.00 0.00 H new ATOM 0 HB3 GLN A 24 0.466 -3.916 11.196 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.765 -4.705 9.169 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.850 -6.320 9.843 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.594 -6.857 10.897 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.743 -5.762 11.672 1.00 0.00 H new ATOM 345 N ALA A 25 1.133 -6.211 8.008 1.00 0.00 N ATOM 346 CA ALA A 25 0.857 -7.223 7.002 1.00 0.00 C ATOM 347 C ALA A 25 2.136 -8.011 6.714 1.00 0.00 C ATOM 348 O ALA A 25 2.134 -9.241 6.755 1.00 0.00 O ATOM 349 CB ALA A 25 0.288 -6.555 5.749 1.00 0.00 C ATOM 0 H ALA A 25 1.074 -5.249 7.673 1.00 0.00 H new ATOM 0 HA ALA A 25 0.109 -7.929 7.362 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.081 -7.314 4.994 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.635 -6.033 6.002 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.012 -5.841 5.357 1.00 0.00 H new ATOM 355 N LEU A 26 3.197 -7.271 6.427 1.00 0.00 N ATOM 356 CA LEU A 26 4.480 -7.886 6.131 1.00 0.00 C ATOM 357 C LEU A 26 4.780 -8.959 7.179 1.00 0.00 C ATOM 358 O LEU A 26 5.167 -10.076 6.836 1.00 0.00 O ATOM 359 CB LEU A 26 5.570 -6.819 6.013 1.00 0.00 C ATOM 360 CG LEU A 26 6.929 -7.303 5.503 1.00 0.00 C ATOM 361 CD1 LEU A 26 6.765 -8.217 4.287 1.00 0.00 C ATOM 362 CD2 LEU A 26 7.857 -6.122 5.211 1.00 0.00 C ATOM 0 H LEU A 26 3.195 -6.252 6.393 1.00 0.00 H new ATOM 0 HA LEU A 26 4.449 -8.386 5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.212 -6.034 5.346 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.713 -6.364 6.993 1.00 0.00 H new ATOM 0 HG LEU A 26 7.398 -7.895 6.289 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.746 -8.547 3.945 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.166 -9.085 4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.266 -7.671 3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.816 -6.493 4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.406 -5.484 4.451 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.011 -5.546 6.124 1.00 0.00 H new ATOM 374 N GLU A 27 4.590 -8.584 8.435 1.00 0.00 N ATOM 375 CA GLU A 27 4.836 -9.500 9.536 1.00 0.00 C ATOM 376 C GLU A 27 4.210 -10.865 9.240 1.00 0.00 C ATOM 377 O GLU A 27 4.736 -11.896 9.655 1.00 0.00 O ATOM 378 CB GLU A 27 4.308 -8.929 10.853 1.00 0.00 C ATOM 379 CG GLU A 27 5.375 -8.083 11.550 1.00 0.00 C ATOM 380 CD GLU A 27 5.551 -8.513 13.008 1.00 0.00 C ATOM 381 OE1 GLU A 27 4.834 -7.944 13.858 1.00 0.00 O ATOM 382 OE2 GLU A 27 6.399 -9.402 13.238 1.00 0.00 O ATOM 0 H GLU A 27 4.268 -7.658 8.715 1.00 0.00 H new ATOM 0 HA GLU A 27 5.913 -9.630 9.641 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.424 -8.321 10.661 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.999 -9.743 11.509 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.323 -8.180 11.022 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.094 -7.031 11.509 1.00 0.00 H new ATOM 389 N ASP A 28 3.095 -10.826 8.525 1.00 0.00 N ATOM 390 CA ASP A 28 2.391 -12.047 8.169 1.00 0.00 C ATOM 391 C ASP A 28 3.210 -12.817 7.131 1.00 0.00 C ATOM 392 O ASP A 28 3.286 -14.044 7.182 1.00 0.00 O ATOM 393 CB ASP A 28 1.024 -11.736 7.557 1.00 0.00 C ATOM 394 CG ASP A 28 -0.133 -12.577 8.099 1.00 0.00 C ATOM 395 OD1 ASP A 28 0.101 -13.285 9.102 1.00 0.00 O ATOM 396 OD2 ASP A 28 -1.226 -12.494 7.497 1.00 0.00 O ATOM 0 H ASP A 28 2.662 -9.968 8.183 1.00 0.00 H new ATOM 0 HA ASP A 28 2.254 -12.635 9.077 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.798 -10.683 7.726 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.084 -11.880 6.478 1.00 0.00 H new ATOM 401 N CYS A 29 3.801 -12.066 6.213 1.00 0.00 N ATOM 402 CA CYS A 29 4.611 -12.663 5.165 1.00 0.00 C ATOM 403 C CYS A 29 5.964 -13.050 5.765 1.00 0.00 C ATOM 404 O CYS A 29 6.551 -14.060 5.381 1.00 0.00 O ATOM 405 CB CYS A 29 4.765 -11.726 3.966 1.00 0.00 C ATOM 406 SG CYS A 29 6.335 -12.078 3.094 1.00 0.00 S ATOM 0 H CYS A 29 3.735 -11.049 6.173 1.00 0.00 H new ATOM 0 HA CYS A 29 4.116 -13.556 4.783 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.924 -11.853 3.284 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.750 -10.689 4.300 1.00 0.00 H new ATOM 0 HG CYS A 29 6.134 -12.048 1.810 1.00 0.00 H new ATOM 412 N HIS A 30 6.420 -12.225 6.696 1.00 0.00 N ATOM 413 CA HIS A 30 7.693 -12.469 7.353 1.00 0.00 C ATOM 414 C HIS A 30 7.656 -13.826 8.058 1.00 0.00 C ATOM 415 O HIS A 30 8.699 -14.424 8.316 1.00 0.00 O ATOM 416 CB HIS A 30 8.045 -11.318 8.299 1.00 0.00 C ATOM 417 CG HIS A 30 8.669 -11.762 9.600 1.00 0.00 C ATOM 418 ND1 HIS A 30 9.945 -11.389 9.985 1.00 0.00 N ATOM 419 CD2 HIS A 30 8.180 -12.550 10.600 1.00 0.00 C ATOM 420 CE1 HIS A 30 10.202 -11.934 11.165 1.00 0.00 C ATOM 421 NE2 HIS A 30 9.107 -12.654 11.544 1.00 0.00 N ATOM 0 H HIS A 30 5.931 -11.387 7.011 1.00 0.00 H new ATOM 0 HA HIS A 30 8.489 -12.508 6.609 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.732 -10.641 7.791 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.140 -10.751 8.517 1.00 0.00 H new ATOM 0 HD2 HIS A 30 7.204 -13.011 10.620 1.00 0.00 H new ATOM 0 HE1 HIS A 30 11.117 -11.827 11.728 1.00 0.00 H new ATOM 0 HE2 HIS A 30 9.016 -13.185 12.410 1.00 0.00 H new ATOM 429 N GLY A 31 6.443 -14.271 8.351 1.00 0.00 N ATOM 430 CA GLY A 31 6.256 -15.547 9.022 1.00 0.00 C ATOM 431 C GLY A 31 5.309 -16.449 8.229 1.00 0.00 C ATOM 432 O GLY A 31 4.430 -17.090 8.804 1.00 0.00 O ATOM 0 H GLY A 31 5.580 -13.771 8.136 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.219 -16.043 9.144 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.854 -15.381 10.022 1.00 0.00 H new ATOM 436 N HIS A 32 5.520 -16.471 6.921 1.00 0.00 N ATOM 437 CA HIS A 32 4.696 -17.285 6.043 1.00 0.00 C ATOM 438 C HIS A 32 5.355 -17.383 4.666 1.00 0.00 C ATOM 439 O HIS A 32 5.923 -18.418 4.319 1.00 0.00 O ATOM 440 CB HIS A 32 3.267 -16.739 5.979 1.00 0.00 C ATOM 441 CG HIS A 32 2.382 -17.452 4.985 1.00 0.00 C ATOM 442 ND1 HIS A 32 1.380 -18.327 5.367 1.00 0.00 N ATOM 443 CD2 HIS A 32 2.358 -17.409 3.622 1.00 0.00 C ATOM 444 CE1 HIS A 32 0.787 -18.785 4.274 1.00 0.00 C ATOM 445 NE2 HIS A 32 1.394 -18.215 3.194 1.00 0.00 N ATOM 0 H HIS A 32 6.250 -15.938 6.448 1.00 0.00 H new ATOM 0 HA HIS A 32 4.620 -18.296 6.444 1.00 0.00 H new ATOM 0 HB2 HIS A 32 2.816 -16.812 6.969 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.305 -15.680 5.723 1.00 0.00 H new ATOM 0 HD2 HIS A 32 3.012 -16.819 2.997 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -0.033 -19.487 4.244 1.00 0.00 H new ATOM 0 HE2 HIS A 32 1.148 -18.381 2.218 1.00 0.00 H new ATOM 453 N THR A 33 5.257 -16.293 3.920 1.00 0.00 N ATOM 454 CA THR A 33 5.837 -16.244 2.588 1.00 0.00 C ATOM 455 C THR A 33 7.365 -16.267 2.670 1.00 0.00 C ATOM 456 O THR A 33 7.944 -15.815 3.657 1.00 0.00 O ATOM 457 CB THR A 33 5.285 -15.007 1.878 1.00 0.00 C ATOM 458 OG1 THR A 33 4.186 -15.503 1.119 1.00 0.00 O ATOM 459 CG2 THR A 33 6.249 -14.459 0.823 1.00 0.00 C ATOM 0 H THR A 33 4.785 -15.437 4.212 1.00 0.00 H new ATOM 0 HA THR A 33 5.561 -17.122 2.004 1.00 0.00 H new ATOM 0 HB THR A 33 5.072 -14.231 2.614 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.198 -15.101 0.225 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.809 -13.582 0.349 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.190 -14.181 1.299 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.436 -15.223 0.069 1.00 0.00 H new ATOM 467 N LYS A 34 7.974 -16.799 1.621 1.00 0.00 N ATOM 468 CA LYS A 34 9.423 -16.887 1.562 1.00 0.00 C ATOM 469 C LYS A 34 10.029 -15.552 2.002 1.00 0.00 C ATOM 470 O LYS A 34 9.385 -14.510 1.898 1.00 0.00 O ATOM 471 CB LYS A 34 9.876 -17.340 0.173 1.00 0.00 C ATOM 472 CG LYS A 34 9.023 -18.507 -0.329 1.00 0.00 C ATOM 473 CD LYS A 34 9.888 -19.556 -1.031 1.00 0.00 C ATOM 474 CE LYS A 34 9.856 -19.367 -2.548 1.00 0.00 C ATOM 475 NZ LYS A 34 10.975 -20.096 -3.185 1.00 0.00 N ATOM 0 H LYS A 34 7.490 -17.174 0.805 1.00 0.00 H new ATOM 0 HA LYS A 34 9.787 -17.646 2.254 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.806 -16.507 -0.526 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.924 -17.639 0.208 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.498 -18.965 0.509 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.263 -18.137 -1.017 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.915 -19.484 -0.674 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.532 -20.555 -0.778 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.907 -19.727 -2.945 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.921 -18.306 -2.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.938 -19.957 -4.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.878 -19.734 -2.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.896 -21.110 -2.970 1.00 0.00 H new ATOM 489 N LYS A 35 11.261 -15.629 2.484 1.00 0.00 N ATOM 490 CA LYS A 35 11.961 -14.440 2.940 1.00 0.00 C ATOM 491 C LYS A 35 12.304 -13.562 1.735 1.00 0.00 C ATOM 492 O LYS A 35 12.092 -12.351 1.764 1.00 0.00 O ATOM 493 CB LYS A 35 13.176 -14.825 3.786 1.00 0.00 C ATOM 494 CG LYS A 35 14.086 -13.618 4.019 1.00 0.00 C ATOM 495 CD LYS A 35 15.119 -13.485 2.898 1.00 0.00 C ATOM 496 CE LYS A 35 16.452 -12.964 3.439 1.00 0.00 C ATOM 497 NZ LYS A 35 17.543 -13.235 2.476 1.00 0.00 N ATOM 0 H LYS A 35 11.792 -16.496 2.569 1.00 0.00 H new ATOM 0 HA LYS A 35 11.321 -13.848 3.594 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.844 -15.225 4.744 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.736 -15.616 3.287 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.485 -12.710 4.074 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.595 -13.722 4.977 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.270 -14.453 2.421 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.744 -12.807 2.131 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.382 -11.892 3.626 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.675 -13.440 4.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.441 -12.875 2.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.620 -14.260 2.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.336 -12.760 1.574 1.00 0.00 H new ATOM 511 N GLN A 36 12.829 -14.207 0.703 1.00 0.00 N ATOM 512 CA GLN A 36 13.204 -13.500 -0.510 1.00 0.00 C ATOM 513 C GLN A 36 12.081 -12.554 -0.941 1.00 0.00 C ATOM 514 O GLN A 36 12.329 -11.389 -1.248 1.00 0.00 O ATOM 515 CB GLN A 36 13.556 -14.481 -1.630 1.00 0.00 C ATOM 516 CG GLN A 36 12.409 -15.462 -1.880 1.00 0.00 C ATOM 517 CD GLN A 36 12.891 -16.678 -2.674 1.00 0.00 C ATOM 518 OE1 GLN A 36 13.879 -17.314 -2.346 1.00 0.00 O ATOM 519 NE2 GLN A 36 12.141 -16.963 -3.734 1.00 0.00 N ATOM 0 H GLN A 36 13.003 -15.212 0.682 1.00 0.00 H new ATOM 0 HA GLN A 36 14.093 -12.905 -0.301 1.00 0.00 H new ATOM 0 HB2 GLN A 36 13.774 -13.931 -2.545 1.00 0.00 H new ATOM 0 HB3 GLN A 36 14.459 -15.031 -1.366 1.00 0.00 H new ATOM 0 HG2 GLN A 36 11.990 -15.788 -0.928 1.00 0.00 H new ATOM 0 HG3 GLN A 36 11.609 -14.961 -2.425 1.00 0.00 H new ATOM 0 HE21 GLN A 36 11.327 -16.389 -3.952 1.00 0.00 H new ATOM 0 HE22 GLN A 36 12.380 -17.756 -4.330 1.00 0.00 H new ATOM 528 N VAL A 37 10.870 -13.092 -0.952 1.00 0.00 N ATOM 529 CA VAL A 37 9.708 -12.311 -1.341 1.00 0.00 C ATOM 530 C VAL A 37 9.502 -11.175 -0.337 1.00 0.00 C ATOM 531 O VAL A 37 9.150 -10.060 -0.719 1.00 0.00 O ATOM 532 CB VAL A 37 8.485 -13.222 -1.472 1.00 0.00 C ATOM 533 CG1 VAL A 37 7.273 -12.441 -1.983 1.00 0.00 C ATOM 534 CG2 VAL A 37 8.788 -14.418 -2.376 1.00 0.00 C ATOM 0 H VAL A 37 10.668 -14.059 -0.698 1.00 0.00 H new ATOM 0 HA VAL A 37 9.864 -11.856 -2.319 1.00 0.00 H new ATOM 0 HB VAL A 37 8.243 -13.604 -0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.417 -13.111 -2.067 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.037 -11.638 -1.285 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.499 -12.017 -2.961 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.903 -15.050 -2.453 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.067 -14.063 -3.368 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.610 -14.995 -1.953 1.00 0.00 H new ATOM 544 N CYS A 38 9.731 -11.498 0.928 1.00 0.00 N ATOM 545 CA CYS A 38 9.575 -10.518 1.990 1.00 0.00 C ATOM 546 C CYS A 38 10.610 -9.411 1.778 1.00 0.00 C ATOM 547 O CYS A 38 10.261 -8.233 1.727 1.00 0.00 O ATOM 548 CB CYS A 38 9.701 -11.160 3.373 1.00 0.00 C ATOM 549 SG CYS A 38 9.431 -9.900 4.674 1.00 0.00 S ATOM 0 H CYS A 38 10.023 -12.424 1.241 1.00 0.00 H new ATOM 0 HA CYS A 38 8.574 -10.090 1.950 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.973 -11.965 3.477 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.689 -11.607 3.487 1.00 0.00 H new ATOM 0 HG CYS A 38 9.617 -8.714 4.175 1.00 0.00 H new ATOM 555 N ASP A 39 11.861 -9.830 1.660 1.00 0.00 N ATOM 556 CA ASP A 39 12.949 -8.888 1.454 1.00 0.00 C ATOM 557 C ASP A 39 12.589 -7.942 0.307 1.00 0.00 C ATOM 558 O ASP A 39 13.097 -6.824 0.237 1.00 0.00 O ATOM 559 CB ASP A 39 14.243 -9.614 1.081 1.00 0.00 C ATOM 560 CG ASP A 39 15.477 -8.717 0.963 1.00 0.00 C ATOM 561 OD1 ASP A 39 15.624 -7.837 1.838 1.00 0.00 O ATOM 562 OD2 ASP A 39 16.245 -8.932 0.000 1.00 0.00 O ATOM 0 H ASP A 39 12.146 -10.808 1.703 1.00 0.00 H new ATOM 0 HA ASP A 39 13.099 -8.338 2.383 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.440 -10.381 1.830 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.093 -10.127 0.131 1.00 0.00 H new ATOM 567 N ASP A 40 11.715 -8.425 -0.564 1.00 0.00 N ATOM 568 CA ASP A 40 11.282 -7.637 -1.705 1.00 0.00 C ATOM 569 C ASP A 40 10.276 -6.583 -1.238 1.00 0.00 C ATOM 570 O ASP A 40 10.501 -5.386 -1.409 1.00 0.00 O ATOM 571 CB ASP A 40 10.594 -8.515 -2.752 1.00 0.00 C ATOM 572 CG ASP A 40 10.850 -8.109 -4.205 1.00 0.00 C ATOM 573 OD1 ASP A 40 11.984 -8.351 -4.670 1.00 0.00 O ATOM 574 OD2 ASP A 40 9.905 -7.566 -4.817 1.00 0.00 O ATOM 0 H ASP A 40 11.295 -9.352 -0.502 1.00 0.00 H new ATOM 0 HA ASP A 40 12.163 -7.172 -2.147 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.924 -9.545 -2.615 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.520 -8.498 -2.570 1.00 0.00 H new ATOM 579 N ILE A 41 9.187 -7.066 -0.657 1.00 0.00 N ATOM 580 CA ILE A 41 8.146 -6.180 -0.164 1.00 0.00 C ATOM 581 C ILE A 41 8.766 -5.148 0.780 1.00 0.00 C ATOM 582 O ILE A 41 8.670 -3.945 0.539 1.00 0.00 O ATOM 583 CB ILE A 41 7.011 -6.988 0.468 1.00 0.00 C ATOM 584 CG1 ILE A 41 6.376 -7.934 -0.553 1.00 0.00 C ATOM 585 CG2 ILE A 41 5.976 -6.065 1.115 1.00 0.00 C ATOM 586 CD1 ILE A 41 5.371 -8.872 0.119 1.00 0.00 C ATOM 0 H ILE A 41 9.003 -8.059 -0.517 1.00 0.00 H new ATOM 0 HA ILE A 41 7.693 -5.628 -0.988 1.00 0.00 H new ATOM 0 HB ILE A 41 7.432 -7.606 1.261 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.875 -7.355 -1.329 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.153 -8.520 -1.044 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.180 -6.664 1.557 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.455 -5.469 1.892 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.555 -5.404 0.358 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.934 -9.534 -0.629 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.880 -9.467 0.877 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.582 -8.284 0.588 1.00 0.00 H new ATOM 598 N SER A 42 9.388 -5.655 1.834 1.00 0.00 N ATOM 599 CA SER A 42 10.023 -4.791 2.815 1.00 0.00 C ATOM 600 C SER A 42 10.769 -3.657 2.109 1.00 0.00 C ATOM 601 O SER A 42 10.482 -2.483 2.339 1.00 0.00 O ATOM 602 CB SER A 42 10.982 -5.582 3.706 1.00 0.00 C ATOM 603 OG SER A 42 11.892 -6.370 2.944 1.00 0.00 O ATOM 0 H SER A 42 9.466 -6.653 2.030 1.00 0.00 H new ATOM 0 HA SER A 42 9.246 -4.366 3.450 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.541 -4.892 4.338 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.409 -6.230 4.370 1.00 0.00 H new ATOM 0 HG SER A 42 11.403 -7.091 2.494 1.00 0.00 H new ATOM 609 N ARG A 43 11.711 -4.047 1.263 1.00 0.00 N ATOM 610 CA ARG A 43 12.500 -3.078 0.522 1.00 0.00 C ATOM 611 C ARG A 43 11.600 -1.970 -0.027 1.00 0.00 C ATOM 612 O ARG A 43 11.923 -0.788 0.086 1.00 0.00 O ATOM 613 CB ARG A 43 13.244 -3.744 -0.637 1.00 0.00 C ATOM 614 CG ARG A 43 14.756 -3.566 -0.493 1.00 0.00 C ATOM 615 CD ARG A 43 15.448 -3.622 -1.857 1.00 0.00 C ATOM 616 NE ARG A 43 15.844 -2.260 -2.280 1.00 0.00 N ATOM 617 CZ ARG A 43 16.765 -1.517 -1.652 1.00 0.00 C ATOM 618 NH1 ARG A 43 17.391 -1.999 -0.569 1.00 0.00 N ATOM 619 NH2 ARG A 43 17.061 -0.292 -2.107 1.00 0.00 N ATOM 0 H ARG A 43 11.946 -5.022 1.074 1.00 0.00 H new ATOM 0 HA ARG A 43 13.230 -2.650 1.209 1.00 0.00 H new ATOM 0 HB2 ARG A 43 13.001 -4.806 -0.667 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.912 -3.314 -1.582 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.969 -2.611 -0.012 1.00 0.00 H new ATOM 0 HG3 ARG A 43 15.157 -4.346 0.155 1.00 0.00 H new ATOM 0 HD2 ARG A 43 16.327 -4.265 -1.802 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.778 -4.061 -2.596 1.00 0.00 H new ATOM 0 HE ARG A 43 15.387 -1.862 -3.101 1.00 0.00 H new ATOM 0 HH11 ARG A 43 17.166 -2.932 -0.223 1.00 0.00 H new ATOM 0 HH12 ARG A 43 18.092 -1.433 -0.091 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.585 0.075 -2.931 1.00 0.00 H new ATOM 0 HH22 ARG A 43 17.762 0.274 -1.629 1.00 0.00 H new ATOM 633 N ARG A 44 10.487 -2.390 -0.612 1.00 0.00 N ATOM 634 CA ARG A 44 9.538 -1.448 -1.179 1.00 0.00 C ATOM 635 C ARG A 44 8.966 -0.546 -0.084 1.00 0.00 C ATOM 636 O ARG A 44 8.802 0.656 -0.288 1.00 0.00 O ATOM 637 CB ARG A 44 8.390 -2.178 -1.880 1.00 0.00 C ATOM 638 CG ARG A 44 8.918 -3.097 -2.984 1.00 0.00 C ATOM 639 CD ARG A 44 9.296 -2.294 -4.231 1.00 0.00 C ATOM 640 NE ARG A 44 10.144 -3.116 -5.124 1.00 0.00 N ATOM 641 CZ ARG A 44 11.471 -3.246 -4.990 1.00 0.00 C ATOM 642 NH1 ARG A 44 12.110 -2.609 -3.999 1.00 0.00 N ATOM 643 NH2 ARG A 44 12.159 -4.013 -5.847 1.00 0.00 N ATOM 0 H ARG A 44 10.222 -3.371 -0.705 1.00 0.00 H new ATOM 0 HA ARG A 44 10.070 -0.842 -1.912 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.828 -2.763 -1.152 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.699 -1.451 -2.306 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.788 -3.644 -2.622 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.160 -3.837 -3.240 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.395 -1.980 -4.759 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.829 -1.388 -3.943 1.00 0.00 H new ATOM 0 HE ARG A 44 9.690 -3.615 -5.889 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.586 -2.025 -3.347 1.00 0.00 H new ATOM 0 HH12 ARG A 44 13.120 -2.708 -3.897 1.00 0.00 H new ATOM 0 HH21 ARG A 44 11.673 -4.498 -6.601 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.169 -4.112 -5.745 1.00 0.00 H new ATOM 657 N LEU A 45 8.678 -1.161 1.054 1.00 0.00 N ATOM 658 CA LEU A 45 8.128 -0.428 2.182 1.00 0.00 C ATOM 659 C LEU A 45 9.038 0.759 2.506 1.00 0.00 C ATOM 660 O LEU A 45 8.594 1.906 2.502 1.00 0.00 O ATOM 661 CB LEU A 45 7.894 -1.366 3.368 1.00 0.00 C ATOM 662 CG LEU A 45 6.930 -2.529 3.123 1.00 0.00 C ATOM 663 CD1 LEU A 45 6.387 -3.078 4.444 1.00 0.00 C ATOM 664 CD2 LEU A 45 5.807 -2.118 2.169 1.00 0.00 C ATOM 0 H LEU A 45 8.815 -2.158 1.219 1.00 0.00 H new ATOM 0 HA LEU A 45 7.149 -0.020 1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.856 -1.776 3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.516 -0.776 4.203 1.00 0.00 H new ATOM 0 HG LEU A 45 7.483 -3.336 2.642 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.704 -3.903 4.242 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.215 -3.433 5.058 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.855 -2.289 4.975 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.136 -2.962 2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.249 -1.287 2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.235 -1.812 1.214 1.00 0.00 H new ATOM 676 N ALA A 46 10.295 0.442 2.781 1.00 0.00 N ATOM 677 CA ALA A 46 11.271 1.467 3.107 1.00 0.00 C ATOM 678 C ALA A 46 11.051 2.681 2.203 1.00 0.00 C ATOM 679 O ALA A 46 11.052 3.818 2.672 1.00 0.00 O ATOM 680 CB ALA A 46 12.682 0.890 2.975 1.00 0.00 C ATOM 0 H ALA A 46 10.660 -0.511 2.785 1.00 0.00 H new ATOM 0 HA ALA A 46 11.149 1.798 4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.414 1.660 3.220 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.797 0.049 3.659 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.842 0.550 1.952 1.00 0.00 H new ATOM 686 N LEU A 47 10.867 2.399 0.921 1.00 0.00 N ATOM 687 CA LEU A 47 10.646 3.454 -0.053 1.00 0.00 C ATOM 688 C LEU A 47 9.309 4.139 0.238 1.00 0.00 C ATOM 689 O LEU A 47 9.265 5.345 0.476 1.00 0.00 O ATOM 690 CB LEU A 47 10.756 2.901 -1.476 1.00 0.00 C ATOM 691 CG LEU A 47 11.465 3.799 -2.491 1.00 0.00 C ATOM 692 CD1 LEU A 47 11.700 3.057 -3.809 1.00 0.00 C ATOM 693 CD2 LEU A 47 10.697 5.106 -2.698 1.00 0.00 C ATOM 0 H LEU A 47 10.867 1.455 0.535 1.00 0.00 H new ATOM 0 HA LEU A 47 11.420 4.217 0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.282 1.947 -1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.751 2.695 -1.843 1.00 0.00 H new ATOM 0 HG LEU A 47 12.444 4.061 -2.090 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.205 3.718 -4.513 1.00 0.00 H new ATOM 0 HD12 LEU A 47 12.319 2.179 -3.627 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.743 2.745 -4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 47 11.223 5.726 -3.424 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.695 4.885 -3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.625 5.640 -1.750 1.00 0.00 H new ATOM 705 N LEU A 48 8.252 3.341 0.210 1.00 0.00 N ATOM 706 CA LEU A 48 6.918 3.855 0.468 1.00 0.00 C ATOM 707 C LEU A 48 6.979 4.865 1.616 1.00 0.00 C ATOM 708 O LEU A 48 6.493 5.987 1.487 1.00 0.00 O ATOM 709 CB LEU A 48 5.938 2.706 0.711 1.00 0.00 C ATOM 710 CG LEU A 48 4.563 3.101 1.253 1.00 0.00 C ATOM 711 CD1 LEU A 48 3.990 4.291 0.481 1.00 0.00 C ATOM 712 CD2 LEU A 48 3.609 1.904 1.251 1.00 0.00 C ATOM 0 H LEU A 48 8.293 2.341 0.012 1.00 0.00 H new ATOM 0 HA LEU A 48 6.539 4.386 -0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.796 2.171 -0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.395 2.007 1.411 1.00 0.00 H new ATOM 0 HG LEU A 48 4.682 3.417 2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.012 4.551 0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.661 5.144 0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.888 4.027 -0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.639 2.211 1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.490 1.535 0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.018 1.112 1.878 1.00 0.00 H new ATOM 724 N ARG A 49 7.580 4.429 2.713 1.00 0.00 N ATOM 725 CA ARG A 49 7.711 5.280 3.884 1.00 0.00 C ATOM 726 C ARG A 49 8.583 6.495 3.562 1.00 0.00 C ATOM 727 O ARG A 49 8.122 7.633 3.638 1.00 0.00 O ATOM 728 CB ARG A 49 8.328 4.514 5.056 1.00 0.00 C ATOM 729 CG ARG A 49 8.426 5.400 6.299 1.00 0.00 C ATOM 730 CD ARG A 49 9.090 4.651 7.456 1.00 0.00 C ATOM 731 NE ARG A 49 10.456 5.173 7.681 1.00 0.00 N ATOM 732 CZ ARG A 49 11.275 4.743 8.650 1.00 0.00 C ATOM 733 NH1 ARG A 49 10.872 3.780 9.490 1.00 0.00 N ATOM 734 NH2 ARG A 49 12.498 5.275 8.779 1.00 0.00 N ATOM 0 H ARG A 49 7.982 3.497 2.816 1.00 0.00 H new ATOM 0 HA ARG A 49 6.712 5.610 4.167 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.724 3.635 5.279 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.320 4.157 4.780 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.999 6.297 6.066 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.430 5.726 6.597 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.495 4.764 8.362 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.132 3.585 7.233 1.00 0.00 H new ATOM 0 HE ARG A 49 10.796 5.907 7.059 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.941 3.374 9.392 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.496 3.453 10.228 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.806 6.008 8.139 1.00 0.00 H new ATOM 0 HH22 ARG A 49 13.121 4.947 9.517 1.00 0.00 H new ATOM 748 N GLU A 50 9.829 6.212 3.208 1.00 0.00 N ATOM 749 CA GLU A 50 10.770 7.268 2.874 1.00 0.00 C ATOM 750 C GLU A 50 10.106 8.301 1.962 1.00 0.00 C ATOM 751 O GLU A 50 10.173 9.501 2.226 1.00 0.00 O ATOM 752 CB GLU A 50 12.030 6.693 2.225 1.00 0.00 C ATOM 753 CG GLU A 50 12.907 5.987 3.261 1.00 0.00 C ATOM 754 CD GLU A 50 14.036 5.207 2.584 1.00 0.00 C ATOM 755 OE1 GLU A 50 13.789 4.709 1.464 1.00 0.00 O ATOM 756 OE2 GLU A 50 15.120 5.127 3.201 1.00 0.00 O ATOM 0 H GLU A 50 10.208 5.267 3.145 1.00 0.00 H new ATOM 0 HA GLU A 50 11.071 7.766 3.796 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.751 5.990 1.440 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.596 7.494 1.749 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.328 6.722 3.947 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.297 5.308 3.857 1.00 0.00 H new ATOM 763 N GLN A 51 9.481 7.798 0.908 1.00 0.00 N ATOM 764 CA GLN A 51 8.805 8.663 -0.045 1.00 0.00 C ATOM 765 C GLN A 51 7.606 9.347 0.616 1.00 0.00 C ATOM 766 O GLN A 51 7.331 10.516 0.352 1.00 0.00 O ATOM 767 CB GLN A 51 8.375 7.880 -1.287 1.00 0.00 C ATOM 768 CG GLN A 51 9.259 8.226 -2.487 1.00 0.00 C ATOM 769 CD GLN A 51 8.427 8.337 -3.766 1.00 0.00 C ATOM 770 OE1 GLN A 51 7.682 9.281 -3.973 1.00 0.00 O ATOM 771 NE2 GLN A 51 8.596 7.324 -4.611 1.00 0.00 N ATOM 0 H GLN A 51 9.428 6.802 0.692 1.00 0.00 H new ATOM 0 HA GLN A 51 9.505 9.434 -0.367 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.433 6.810 -1.085 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.334 8.105 -1.521 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.777 9.167 -2.303 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.025 7.460 -2.612 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.236 6.565 -4.376 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.086 7.306 -5.494 1.00 0.00 H new ATOM 780 N TRP A 52 6.926 8.588 1.462 1.00 0.00 N ATOM 781 CA TRP A 52 5.763 9.106 2.162 1.00 0.00 C ATOM 782 C TRP A 52 6.230 10.232 3.086 1.00 0.00 C ATOM 783 O TRP A 52 5.833 11.384 2.916 1.00 0.00 O ATOM 784 CB TRP A 52 5.028 7.988 2.906 1.00 0.00 C ATOM 785 CG TRP A 52 3.729 8.437 3.578 1.00 0.00 C ATOM 786 CD1 TRP A 52 3.546 9.468 4.415 1.00 0.00 C ATOM 787 CD2 TRP A 52 2.430 7.825 3.433 1.00 0.00 C ATOM 788 NE1 TRP A 52 2.230 9.563 4.819 1.00 0.00 N ATOM 789 CE2 TRP A 52 1.530 8.532 4.203 1.00 0.00 C ATOM 790 CE3 TRP A 52 2.029 6.709 2.677 1.00 0.00 C ATOM 791 CZ2 TRP A 52 0.172 8.204 4.292 1.00 0.00 C ATOM 792 CZ3 TRP A 52 0.669 6.393 2.776 1.00 0.00 C ATOM 793 CH2 TRP A 52 -0.250 7.096 3.547 1.00 0.00 C ATOM 0 H TRP A 52 7.158 7.619 1.679 1.00 0.00 H new ATOM 0 HA TRP A 52 5.038 9.512 1.457 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.803 7.185 2.204 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.692 7.572 3.664 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.330 10.140 4.733 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.842 10.261 5.453 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.716 6.141 2.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.513 8.774 4.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 0.308 5.544 2.214 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.285 6.789 3.571 1.00 0.00 H new ATOM 804 N ALA A 53 7.067 9.860 4.044 1.00 0.00 N ATOM 805 CA ALA A 53 7.592 10.825 4.995 1.00 0.00 C ATOM 806 C ALA A 53 8.315 11.941 4.236 1.00 0.00 C ATOM 807 O ALA A 53 7.979 13.115 4.384 1.00 0.00 O ATOM 808 CB ALA A 53 8.506 10.112 5.993 1.00 0.00 C ATOM 0 H ALA A 53 7.394 8.904 4.182 1.00 0.00 H new ATOM 0 HA ALA A 53 6.783 11.283 5.564 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.900 10.836 6.707 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.938 9.349 6.526 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.332 9.642 5.459 1.00 0.00 H new ATOM 814 N GLY A 54 9.293 11.534 3.441 1.00 0.00 N ATOM 815 CA GLY A 54 10.066 12.485 2.660 1.00 0.00 C ATOM 816 C GLY A 54 9.173 13.602 2.117 1.00 0.00 C ATOM 817 O GLY A 54 9.607 14.748 2.002 1.00 0.00 O ATOM 0 H GLY A 54 9.568 10.559 3.321 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.855 12.913 3.279 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.554 11.970 1.833 1.00 0.00 H new ATOM 821 N GLY A 55 7.943 13.230 1.797 1.00 0.00 N ATOM 822 CA GLY A 55 6.985 14.187 1.268 1.00 0.00 C ATOM 823 C GLY A 55 6.948 14.139 -0.260 1.00 0.00 C ATOM 824 O GLY A 55 6.482 15.078 -0.903 1.00 0.00 O ATOM 0 H GLY A 55 7.587 12.279 1.894 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.993 13.972 1.666 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.250 15.192 1.597 1.00 0.00 H new ATOM 828 N LYS A 56 7.446 13.035 -0.798 1.00 0.00 N ATOM 829 CA LYS A 56 7.477 12.852 -2.239 1.00 0.00 C ATOM 830 C LYS A 56 6.124 12.313 -2.709 1.00 0.00 C ATOM 831 O LYS A 56 5.828 12.324 -3.903 1.00 0.00 O ATOM 832 CB LYS A 56 8.663 11.974 -2.643 1.00 0.00 C ATOM 833 CG LYS A 56 9.902 12.825 -2.930 1.00 0.00 C ATOM 834 CD LYS A 56 10.158 12.930 -4.435 1.00 0.00 C ATOM 835 CE LYS A 56 11.191 14.016 -4.740 1.00 0.00 C ATOM 836 NZ LYS A 56 12.092 13.583 -5.832 1.00 0.00 N ATOM 0 H LYS A 56 7.831 12.258 -0.261 1.00 0.00 H new ATOM 0 HA LYS A 56 7.632 13.807 -2.741 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.882 11.263 -1.846 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.404 11.392 -3.527 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.768 13.822 -2.510 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.771 12.386 -2.439 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.510 11.971 -4.816 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.225 13.155 -4.952 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.684 14.939 -5.023 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.773 14.234 -3.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.787 14.332 -6.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.589 12.715 -5.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.534 13.398 -6.690 1.00 0.00 H new ATOM 850 N LEU A 57 5.339 11.853 -1.746 1.00 0.00 N ATOM 851 CA LEU A 57 4.025 11.310 -2.046 1.00 0.00 C ATOM 852 C LEU A 57 2.984 12.427 -1.954 1.00 0.00 C ATOM 853 O LEU A 57 3.015 13.235 -1.027 1.00 0.00 O ATOM 854 CB LEU A 57 3.722 10.111 -1.145 1.00 0.00 C ATOM 855 CG LEU A 57 4.717 8.951 -1.216 1.00 0.00 C ATOM 856 CD1 LEU A 57 4.214 7.748 -0.415 1.00 0.00 C ATOM 857 CD2 LEU A 57 5.027 8.583 -2.668 1.00 0.00 C ATOM 0 H LEU A 57 5.588 11.845 -0.757 1.00 0.00 H new ATOM 0 HA LEU A 57 3.994 10.928 -3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.674 10.460 -0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.733 9.731 -1.400 1.00 0.00 H new ATOM 0 HG LEU A 57 5.652 9.274 -0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.940 6.937 -0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.085 8.034 0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.259 7.414 -0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.737 7.756 -2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.107 8.286 -3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.458 9.445 -3.178 1.00 0.00 H new ATOM 869 N SER A 58 2.087 12.438 -2.929 1.00 0.00 N ATOM 870 CA SER A 58 1.038 13.442 -2.970 1.00 0.00 C ATOM 871 C SER A 58 0.059 13.224 -1.814 1.00 0.00 C ATOM 872 O SER A 58 0.006 12.140 -1.237 1.00 0.00 O ATOM 873 CB SER A 58 0.296 13.410 -4.307 1.00 0.00 C ATOM 874 OG SER A 58 -0.122 14.709 -4.718 1.00 0.00 O ATOM 0 H SER A 58 2.065 11.767 -3.697 1.00 0.00 H new ATOM 0 HA SER A 58 1.501 14.424 -2.866 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.944 12.979 -5.071 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.574 12.759 -4.223 1.00 0.00 H new ATOM 0 HG SER A 58 -0.590 14.646 -5.577 1.00 0.00 H new ATOM 880 N ILE A 59 -0.692 14.273 -1.511 1.00 0.00 N ATOM 881 CA ILE A 59 -1.666 14.210 -0.435 1.00 0.00 C ATOM 882 C ILE A 59 -2.788 13.245 -0.824 1.00 0.00 C ATOM 883 O ILE A 59 -3.211 12.421 -0.014 1.00 0.00 O ATOM 884 CB ILE A 59 -2.159 15.613 -0.075 1.00 0.00 C ATOM 885 CG1 ILE A 59 -1.009 16.486 0.429 1.00 0.00 C ATOM 886 CG2 ILE A 59 -3.313 15.549 0.928 1.00 0.00 C ATOM 887 CD1 ILE A 59 -0.682 17.596 -0.572 1.00 0.00 C ATOM 0 H ILE A 59 -0.645 15.171 -1.992 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.206 13.816 0.472 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.545 16.081 -0.980 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.276 16.926 1.390 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.126 15.869 0.595 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.644 16.560 1.167 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.141 14.989 0.494 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.977 15.053 1.838 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.139 18.202 -0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.392 17.153 -1.525 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.560 18.225 -0.717 1.00 0.00 H new ATOM 899 N PRO A 60 -3.249 13.382 -2.095 1.00 0.00 N ATOM 900 CA PRO A 60 -4.313 12.532 -2.601 1.00 0.00 C ATOM 901 C PRO A 60 -3.794 11.126 -2.906 1.00 0.00 C ATOM 902 O PRO A 60 -4.570 10.234 -3.245 1.00 0.00 O ATOM 903 CB PRO A 60 -4.838 13.251 -3.834 1.00 0.00 C ATOM 904 CG PRO A 60 -3.751 14.233 -4.239 1.00 0.00 C ATOM 905 CD PRO A 60 -2.772 14.347 -3.082 1.00 0.00 C ATOM 0 HA PRO A 60 -5.111 12.380 -1.874 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.046 12.545 -4.638 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.771 13.770 -3.616 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.241 13.888 -5.138 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.183 15.206 -4.471 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.755 14.118 -3.400 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.758 15.357 -2.673 1.00 0.00 H new ATOM 913 N VAL A 61 -2.485 10.972 -2.773 1.00 0.00 N ATOM 914 CA VAL A 61 -1.853 9.689 -3.029 1.00 0.00 C ATOM 915 C VAL A 61 -1.827 8.870 -1.737 1.00 0.00 C ATOM 916 O VAL A 61 -1.689 7.648 -1.774 1.00 0.00 O ATOM 917 CB VAL A 61 -0.461 9.901 -3.629 1.00 0.00 C ATOM 918 CG1 VAL A 61 0.462 8.726 -3.304 1.00 0.00 C ATOM 919 CG2 VAL A 61 -0.545 10.131 -5.139 1.00 0.00 C ATOM 0 H VAL A 61 -1.845 11.714 -2.491 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.426 9.122 -3.762 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.034 10.796 -3.176 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.444 8.903 -3.742 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.559 8.628 -2.223 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.041 7.808 -3.715 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.457 10.279 -5.541 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.002 9.263 -5.614 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.150 11.015 -5.339 1.00 0.00 H new ATOM 929 N LYS A 62 -1.963 9.576 -0.624 1.00 0.00 N ATOM 930 CA LYS A 62 -1.957 8.931 0.678 1.00 0.00 C ATOM 931 C LYS A 62 -3.398 8.644 1.106 1.00 0.00 C ATOM 932 O LYS A 62 -3.704 7.547 1.572 1.00 0.00 O ATOM 933 CB LYS A 62 -1.170 9.768 1.688 1.00 0.00 C ATOM 934 CG LYS A 62 -0.351 10.851 0.983 1.00 0.00 C ATOM 935 CD LYS A 62 0.671 11.473 1.936 1.00 0.00 C ATOM 936 CE LYS A 62 1.752 12.230 1.163 1.00 0.00 C ATOM 937 NZ LYS A 62 1.387 13.658 1.023 1.00 0.00 N ATOM 0 H LYS A 62 -2.078 10.589 -0.597 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.442 7.972 0.626 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.857 10.230 2.397 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.507 9.122 2.263 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.163 10.421 0.123 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.017 11.625 0.602 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.166 12.153 2.623 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.131 10.692 2.541 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.707 12.142 1.681 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.882 11.784 0.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.672 13.999 0.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.359 13.766 1.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.874 14.214 1.755 1.00 0.00 H new ATOM 951 N LYS A 63 -4.244 9.649 0.933 1.00 0.00 N ATOM 952 CA LYS A 63 -5.645 9.518 1.296 1.00 0.00 C ATOM 953 C LYS A 63 -6.238 8.297 0.591 1.00 0.00 C ATOM 954 O LYS A 63 -7.093 7.609 1.147 1.00 0.00 O ATOM 955 CB LYS A 63 -6.396 10.820 1.009 1.00 0.00 C ATOM 956 CG LYS A 63 -6.641 11.608 2.298 1.00 0.00 C ATOM 957 CD LYS A 63 -6.950 13.075 1.993 1.00 0.00 C ATOM 958 CE LYS A 63 -5.785 13.740 1.259 1.00 0.00 C ATOM 959 NZ LYS A 63 -6.220 14.232 -0.067 1.00 0.00 N ATOM 0 H LYS A 63 -3.986 10.557 0.546 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.747 9.348 2.368 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.822 11.429 0.310 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.349 10.596 0.529 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.471 11.164 2.847 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.763 11.543 2.940 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.853 13.141 1.385 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.151 13.609 2.922 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.400 14.569 1.852 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.969 13.027 1.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.409 14.237 -0.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.962 13.608 -0.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.594 15.198 0.027 1.00 0.00 H new ATOM 973 N ARG A 64 -5.761 8.065 -0.623 1.00 0.00 N ATOM 974 CA ARG A 64 -6.234 6.939 -1.410 1.00 0.00 C ATOM 975 C ARG A 64 -5.707 5.626 -0.827 1.00 0.00 C ATOM 976 O ARG A 64 -6.433 4.634 -0.766 1.00 0.00 O ATOM 977 CB ARG A 64 -5.785 7.058 -2.868 1.00 0.00 C ATOM 978 CG ARG A 64 -6.990 7.171 -3.804 1.00 0.00 C ATOM 979 CD ARG A 64 -7.049 8.553 -4.458 1.00 0.00 C ATOM 980 NE ARG A 64 -7.989 8.533 -5.601 1.00 0.00 N ATOM 981 CZ ARG A 64 -8.281 9.602 -6.353 1.00 0.00 C ATOM 982 NH1 ARG A 64 -7.707 10.784 -6.088 1.00 0.00 N ATOM 983 NH2 ARG A 64 -9.146 9.491 -7.370 1.00 0.00 N ATOM 0 H ARG A 64 -5.052 8.638 -1.081 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.323 6.945 -1.376 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.145 7.933 -2.985 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.188 6.188 -3.141 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.930 6.402 -4.575 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.908 6.990 -3.244 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.368 9.297 -3.728 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.056 8.846 -4.799 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.443 7.649 -5.831 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.048 10.869 -5.314 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.929 11.599 -6.660 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.583 8.592 -7.572 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.368 10.306 -7.942 1.00 0.00 H new ATOM 997 N MET A 65 -4.449 5.661 -0.414 1.00 0.00 N ATOM 998 CA MET A 65 -3.816 4.487 0.161 1.00 0.00 C ATOM 999 C MET A 65 -4.600 3.981 1.374 1.00 0.00 C ATOM 1000 O MET A 65 -5.029 2.828 1.403 1.00 0.00 O ATOM 1001 CB MET A 65 -2.387 4.832 0.584 1.00 0.00 C ATOM 1002 CG MET A 65 -1.382 4.429 -0.497 1.00 0.00 C ATOM 1003 SD MET A 65 -1.403 2.658 -0.721 1.00 0.00 S ATOM 1004 CE MET A 65 -1.020 2.132 0.942 1.00 0.00 C ATOM 0 H MET A 65 -3.850 6.485 -0.466 1.00 0.00 H new ATOM 0 HA MET A 65 -3.800 3.700 -0.593 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.309 5.902 0.777 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.147 4.322 1.517 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.627 4.925 -1.436 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.381 4.756 -0.215 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.940 1.045 0.971 1.00 0.00 H new ATOM 0 HE2 MET A 65 -0.074 2.574 1.254 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.812 2.456 1.617 1.00 0.00 H new ATOM 1014 N ALA A 66 -4.763 4.867 2.345 1.00 0.00 N ATOM 1015 CA ALA A 66 -5.487 4.525 3.557 1.00 0.00 C ATOM 1016 C ALA A 66 -6.691 3.651 3.197 1.00 0.00 C ATOM 1017 O ALA A 66 -6.967 2.661 3.872 1.00 0.00 O ATOM 1018 CB ALA A 66 -5.894 5.806 4.288 1.00 0.00 C ATOM 0 H ALA A 66 -4.406 5.822 2.317 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.853 3.951 4.234 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.437 5.549 5.197 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.002 6.376 4.547 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.533 6.407 3.641 1.00 0.00 H new ATOM 1024 N LEU A 67 -7.374 4.050 2.134 1.00 0.00 N ATOM 1025 CA LEU A 67 -8.541 3.315 1.676 1.00 0.00 C ATOM 1026 C LEU A 67 -8.162 1.850 1.453 1.00 0.00 C ATOM 1027 O LEU A 67 -8.633 0.967 2.169 1.00 0.00 O ATOM 1028 CB LEU A 67 -9.148 3.988 0.443 1.00 0.00 C ATOM 1029 CG LEU A 67 -9.454 5.481 0.576 1.00 0.00 C ATOM 1030 CD1 LEU A 67 -10.223 5.994 -0.643 1.00 0.00 C ATOM 1031 CD2 LEU A 67 -10.191 5.776 1.885 1.00 0.00 C ATOM 0 H LEU A 67 -7.142 4.872 1.577 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.322 3.330 2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.464 3.851 -0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.072 3.469 0.188 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.508 6.021 0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.428 7.058 -0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.626 5.839 -1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.164 5.452 -0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -10.396 6.844 1.954 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.131 5.224 1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.572 5.470 2.728 1.00 0.00 H new ATOM 1043 N LEU A 68 -7.314 1.637 0.458 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.866 0.294 0.131 1.00 0.00 C ATOM 1045 C LEU A 68 -6.493 -0.442 1.420 1.00 0.00 C ATOM 1046 O LEU A 68 -6.839 -1.609 1.595 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.735 0.342 -0.898 1.00 0.00 C ATOM 1048 CG LEU A 68 -4.682 -0.764 -0.791 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -3.814 -0.818 -2.049 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -3.844 -0.600 0.478 1.00 0.00 C ATOM 0 H LEU A 68 -6.925 2.372 -0.133 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.670 -0.272 -0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.175 0.302 -1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.232 1.305 -0.811 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.197 -1.721 -0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.074 -1.612 -1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.443 -1.017 -2.917 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.305 0.137 -2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.103 -1.398 0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.337 0.365 0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.494 -0.650 1.352 1.00 0.00 H new ATOM 1062 N VAL A 69 -5.792 0.271 2.289 1.00 0.00 N ATOM 1063 CA VAL A 69 -5.368 -0.300 3.557 1.00 0.00 C ATOM 1064 C VAL A 69 -6.600 -0.753 4.344 1.00 0.00 C ATOM 1065 O VAL A 69 -6.680 -1.905 4.767 1.00 0.00 O ATOM 1066 CB VAL A 69 -4.507 0.707 4.322 1.00 0.00 C ATOM 1067 CG1 VAL A 69 -4.195 0.201 5.732 1.00 0.00 C ATOM 1068 CG2 VAL A 69 -3.221 1.022 3.556 1.00 0.00 C ATOM 0 H VAL A 69 -5.507 1.239 2.141 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.746 -1.180 3.391 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.076 1.632 4.416 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.582 0.935 6.255 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.126 0.050 6.279 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.655 -0.744 5.668 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.627 1.740 4.122 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.647 0.106 3.417 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.471 1.445 2.583 1.00 0.00 H new ATOM 1078 N GLN A 70 -7.528 0.176 4.516 1.00 0.00 N ATOM 1079 CA GLN A 70 -8.751 -0.113 5.244 1.00 0.00 C ATOM 1080 C GLN A 70 -9.413 -1.376 4.689 1.00 0.00 C ATOM 1081 O GLN A 70 -10.098 -2.094 5.417 1.00 0.00 O ATOM 1082 CB GLN A 70 -9.712 1.076 5.197 1.00 0.00 C ATOM 1083 CG GLN A 70 -9.224 2.212 6.099 1.00 0.00 C ATOM 1084 CD GLN A 70 -9.163 1.763 7.561 1.00 0.00 C ATOM 1085 OE1 GLN A 70 -10.119 1.252 8.120 1.00 0.00 O ATOM 1086 NE2 GLN A 70 -7.989 1.983 8.145 1.00 0.00 N ATOM 0 H GLN A 70 -7.457 1.130 4.163 1.00 0.00 H new ATOM 0 HA GLN A 70 -8.495 -0.289 6.289 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.803 1.434 4.172 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.706 0.758 5.512 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.237 2.541 5.774 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.892 3.068 6.005 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.230 2.415 7.618 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.847 1.719 9.120 1.00 0.00 H new ATOM 1095 N GLU A 71 -9.186 -1.609 3.405 1.00 0.00 N ATOM 1096 CA GLU A 71 -9.752 -2.772 2.744 1.00 0.00 C ATOM 1097 C GLU A 71 -8.983 -4.034 3.139 1.00 0.00 C ATOM 1098 O GLU A 71 -9.582 -5.083 3.373 1.00 0.00 O ATOM 1099 CB GLU A 71 -9.761 -2.589 1.225 1.00 0.00 C ATOM 1100 CG GLU A 71 -10.313 -1.215 0.841 1.00 0.00 C ATOM 1101 CD GLU A 71 -11.783 -1.310 0.427 1.00 0.00 C ATOM 1102 OE1 GLU A 71 -12.420 -2.310 0.823 1.00 0.00 O ATOM 1103 OE2 GLU A 71 -12.237 -0.381 -0.275 1.00 0.00 O ATOM 0 H GLU A 71 -8.618 -1.012 2.805 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.786 -2.883 3.070 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.749 -2.700 0.836 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.367 -3.370 0.765 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.212 -0.530 1.683 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.727 -0.800 0.021 1.00 0.00 H new ATOM 1110 N LEU A 72 -7.667 -3.892 3.202 1.00 0.00 N ATOM 1111 CA LEU A 72 -6.810 -5.007 3.565 1.00 0.00 C ATOM 1112 C LEU A 72 -7.131 -5.447 4.994 1.00 0.00 C ATOM 1113 O LEU A 72 -6.917 -6.603 5.355 1.00 0.00 O ATOM 1114 CB LEU A 72 -5.339 -4.645 3.349 1.00 0.00 C ATOM 1115 CG LEU A 72 -4.374 -5.822 3.192 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -3.443 -5.612 1.996 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -3.597 -6.071 4.486 1.00 0.00 C ATOM 0 H LEU A 72 -7.173 -3.021 3.008 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.002 -5.862 2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.266 -4.020 2.459 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.007 -4.039 4.192 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.960 -6.719 2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.767 -6.463 1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.035 -5.522 1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.862 -4.701 2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.919 -6.913 4.347 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.023 -5.181 4.743 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.295 -6.297 5.292 1.00 0.00 H new ATOM 1129 N LEU A 73 -7.641 -4.502 5.770 1.00 0.00 N ATOM 1130 CA LEU A 73 -7.994 -4.778 7.152 1.00 0.00 C ATOM 1131 C LEU A 73 -9.341 -5.502 7.195 1.00 0.00 C ATOM 1132 O LEU A 73 -9.542 -6.398 8.014 1.00 0.00 O ATOM 1133 CB LEU A 73 -7.961 -3.492 7.981 1.00 0.00 C ATOM 1134 CG LEU A 73 -6.587 -2.840 8.154 1.00 0.00 C ATOM 1135 CD1 LEU A 73 -6.718 -1.430 8.733 1.00 0.00 C ATOM 1136 CD2 LEU A 73 -5.664 -3.723 8.997 1.00 0.00 C ATOM 0 H LEU A 73 -7.818 -3.544 5.468 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.259 -5.442 7.607 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.629 -2.767 7.517 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.365 -3.710 8.970 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.129 -2.742 7.170 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.727 -0.990 8.846 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.314 -0.814 8.060 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.206 -1.480 9.707 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.694 -3.237 9.105 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.105 -3.875 9.982 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.534 -4.687 8.505 1.00 0.00 H new ATOM 1148 N HIS A 74 -10.228 -5.088 6.303 1.00 0.00 N ATOM 1149 CA HIS A 74 -11.550 -5.686 6.229 1.00 0.00 C ATOM 1150 C HIS A 74 -11.488 -6.966 5.392 1.00 0.00 C ATOM 1151 O HIS A 74 -12.493 -7.655 5.230 1.00 0.00 O ATOM 1152 CB HIS A 74 -12.573 -4.680 5.698 1.00 0.00 C ATOM 1153 CG HIS A 74 -13.422 -4.043 6.772 1.00 0.00 C ATOM 1154 ND1 HIS A 74 -14.794 -4.214 6.843 1.00 0.00 N ATOM 1155 CD2 HIS A 74 -13.081 -3.235 7.817 1.00 0.00 C ATOM 1156 CE1 HIS A 74 -15.247 -3.535 7.886 1.00 0.00 C ATOM 1157 NE2 HIS A 74 -14.184 -2.929 8.488 1.00 0.00 N ATOM 0 H HIS A 74 -10.057 -4.345 5.625 1.00 0.00 H new ATOM 0 HA HIS A 74 -11.884 -5.962 7.229 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -12.047 -3.896 5.152 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -13.225 -5.183 4.984 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -12.082 -2.901 8.057 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -16.277 -3.472 8.204 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -14.229 -2.338 9.318 1.00 0.00 H new ATOM 1165 N HIS A 75 -10.297 -7.244 4.883 1.00 0.00 N ATOM 1166 CA HIS A 75 -10.090 -8.428 4.067 1.00 0.00 C ATOM 1167 C HIS A 75 -10.514 -8.139 2.625 1.00 0.00 C ATOM 1168 O HIS A 75 -10.366 -8.989 1.749 1.00 0.00 O ATOM 1169 CB HIS A 75 -10.816 -9.635 4.667 1.00 0.00 C ATOM 1170 CG HIS A 75 -10.957 -9.581 6.169 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -12.122 -9.937 6.826 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -10.068 -9.212 7.135 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -11.933 -9.783 8.128 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -10.659 -9.333 8.318 1.00 0.00 N ATOM 0 H HIS A 75 -9.465 -6.670 5.020 1.00 0.00 H new ATOM 0 HA HIS A 75 -9.030 -8.683 4.053 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -11.808 -9.708 4.221 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -10.277 -10.543 4.395 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -9.055 -8.878 6.966 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -12.659 -9.979 8.903 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -10.231 -9.124 9.220 1.00 0.00 H new ATOM 1182 N GLN A 76 -11.031 -6.936 2.425 1.00 0.00 N ATOM 1183 CA GLN A 76 -11.477 -6.523 1.105 1.00 0.00 C ATOM 1184 C GLN A 76 -10.278 -6.344 0.172 1.00 0.00 C ATOM 1185 O GLN A 76 -10.032 -5.246 -0.325 1.00 0.00 O ATOM 1186 CB GLN A 76 -12.308 -5.241 1.182 1.00 0.00 C ATOM 1187 CG GLN A 76 -13.630 -5.488 1.911 1.00 0.00 C ATOM 1188 CD GLN A 76 -14.745 -5.836 0.922 1.00 0.00 C ATOM 1189 OE1 GLN A 76 -14.696 -5.502 -0.250 1.00 0.00 O ATOM 1190 NE2 GLN A 76 -15.749 -6.523 1.459 1.00 0.00 N ATOM 0 H GLN A 76 -11.151 -6.234 3.155 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.116 -7.306 0.698 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.742 -4.467 1.700 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.507 -4.871 0.176 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -13.508 -6.300 2.628 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -13.907 -4.600 2.480 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -15.726 -6.770 2.448 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -16.542 -6.803 0.882 1.00 0.00 H new ATOM 1199 N TRP A 77 -9.563 -7.440 -0.038 1.00 0.00 N ATOM 1200 CA TRP A 77 -8.395 -7.417 -0.903 1.00 0.00 C ATOM 1201 C TRP A 77 -8.832 -6.894 -2.273 1.00 0.00 C ATOM 1202 O TRP A 77 -8.175 -6.027 -2.848 1.00 0.00 O ATOM 1203 CB TRP A 77 -7.737 -8.797 -0.972 1.00 0.00 C ATOM 1204 CG TRP A 77 -8.068 -9.704 0.215 1.00 0.00 C ATOM 1205 CD1 TRP A 77 -8.989 -10.675 0.279 1.00 0.00 C ATOM 1206 CD2 TRP A 77 -7.438 -9.684 1.513 1.00 0.00 C ATOM 1207 NE1 TRP A 77 -8.999 -11.281 1.519 1.00 0.00 N ATOM 1208 CE2 TRP A 77 -8.026 -10.659 2.294 1.00 0.00 C ATOM 1209 CE3 TRP A 77 -6.406 -8.870 2.012 1.00 0.00 C ATOM 1210 CZ2 TRP A 77 -7.650 -10.911 3.618 1.00 0.00 C ATOM 1211 CZ3 TRP A 77 -6.042 -9.134 3.338 1.00 0.00 C ATOM 1212 CH2 TRP A 77 -6.623 -10.112 4.136 1.00 0.00 C ATOM 0 H TRP A 77 -9.770 -8.349 0.376 1.00 0.00 H new ATOM 0 HA TRP A 77 -7.631 -6.750 -0.503 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -8.049 -9.291 -1.892 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -6.656 -8.670 -1.029 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -9.641 -10.949 -0.537 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -9.608 -12.045 1.813 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -5.932 -8.102 1.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -8.126 -11.680 4.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -5.254 -8.535 3.771 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -6.284 -10.255 5.151 1.00 0.00 H new ATOM 1223 N ASP A 78 -9.937 -7.441 -2.756 1.00 0.00 N ATOM 1224 CA ASP A 78 -10.469 -7.041 -4.047 1.00 0.00 C ATOM 1225 C ASP A 78 -10.536 -5.513 -4.114 1.00 0.00 C ATOM 1226 O ASP A 78 -10.054 -4.909 -5.071 1.00 0.00 O ATOM 1227 CB ASP A 78 -11.883 -7.586 -4.254 1.00 0.00 C ATOM 1228 CG ASP A 78 -11.986 -8.768 -5.219 1.00 0.00 C ATOM 1229 OD1 ASP A 78 -10.978 -9.024 -5.912 1.00 0.00 O ATOM 1230 OD2 ASP A 78 -13.071 -9.388 -5.243 1.00 0.00 O ATOM 0 H ASP A 78 -10.479 -8.159 -2.276 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.813 -7.440 -4.820 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.284 -7.890 -3.287 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.517 -6.779 -4.623 1.00 0.00 H new ATOM 1235 N ALA A 79 -11.138 -4.934 -3.086 1.00 0.00 N ATOM 1236 CA ALA A 79 -11.274 -3.489 -3.017 1.00 0.00 C ATOM 1237 C ALA A 79 -9.885 -2.848 -3.026 1.00 0.00 C ATOM 1238 O ALA A 79 -9.600 -1.986 -3.856 1.00 0.00 O ATOM 1239 CB ALA A 79 -12.082 -3.111 -1.773 1.00 0.00 C ATOM 0 H ALA A 79 -11.537 -5.439 -2.294 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.816 -3.113 -3.885 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.184 -2.027 -1.721 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.071 -3.566 -1.829 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.567 -3.470 -0.882 1.00 0.00 H new ATOM 1245 N ALA A 80 -9.056 -3.295 -2.094 1.00 0.00 N ATOM 1246 CA ALA A 80 -7.703 -2.776 -1.984 1.00 0.00 C ATOM 1247 C ALA A 80 -7.074 -2.707 -3.377 1.00 0.00 C ATOM 1248 O ALA A 80 -6.464 -1.702 -3.737 1.00 0.00 O ATOM 1249 CB ALA A 80 -6.897 -3.652 -1.023 1.00 0.00 C ATOM 0 H ALA A 80 -9.295 -4.011 -1.408 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.711 -1.766 -1.575 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.882 -3.263 -0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.370 -3.645 -0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.864 -4.673 -1.402 1.00 0.00 H new ATOM 1255 N ASP A 81 -7.245 -3.789 -4.123 1.00 0.00 N ATOM 1256 CA ASP A 81 -6.701 -3.863 -5.469 1.00 0.00 C ATOM 1257 C ASP A 81 -7.360 -2.792 -6.340 1.00 0.00 C ATOM 1258 O ASP A 81 -6.699 -2.170 -7.171 1.00 0.00 O ATOM 1259 CB ASP A 81 -6.984 -5.227 -6.102 1.00 0.00 C ATOM 1260 CG ASP A 81 -5.880 -5.754 -7.021 1.00 0.00 C ATOM 1261 OD1 ASP A 81 -5.676 -5.126 -8.082 1.00 0.00 O ATOM 1262 OD2 ASP A 81 -5.264 -6.774 -6.641 1.00 0.00 O ATOM 0 H ASP A 81 -7.752 -4.621 -3.821 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.624 -3.710 -5.407 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.151 -5.953 -5.306 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.910 -5.161 -6.673 1.00 0.00 H new ATOM 1267 N ASP A 82 -8.653 -2.608 -6.120 1.00 0.00 N ATOM 1268 CA ASP A 82 -9.408 -1.622 -6.875 1.00 0.00 C ATOM 1269 C ASP A 82 -8.782 -0.241 -6.671 1.00 0.00 C ATOM 1270 O ASP A 82 -8.515 0.471 -7.637 1.00 0.00 O ATOM 1271 CB ASP A 82 -10.861 -1.558 -6.398 1.00 0.00 C ATOM 1272 CG ASP A 82 -11.908 -1.547 -7.514 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -11.851 -0.607 -8.336 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -12.741 -2.479 -7.519 1.00 0.00 O ATOM 0 H ASP A 82 -9.198 -3.125 -5.430 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.386 -1.912 -7.926 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.053 -2.413 -5.749 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.989 -0.662 -5.791 1.00 0.00 H new ATOM 1279 N ILE A 83 -8.567 0.095 -5.408 1.00 0.00 N ATOM 1280 CA ILE A 83 -7.977 1.378 -5.065 1.00 0.00 C ATOM 1281 C ILE A 83 -6.517 1.401 -5.520 1.00 0.00 C ATOM 1282 O ILE A 83 -6.054 2.392 -6.082 1.00 0.00 O ATOM 1283 CB ILE A 83 -8.162 1.672 -3.575 1.00 0.00 C ATOM 1284 CG1 ILE A 83 -9.646 1.730 -3.208 1.00 0.00 C ATOM 1285 CG2 ILE A 83 -7.421 2.949 -3.172 1.00 0.00 C ATOM 1286 CD1 ILE A 83 -9.884 1.182 -1.799 1.00 0.00 C ATOM 0 H ILE A 83 -8.791 -0.499 -4.609 1.00 0.00 H new ATOM 0 HA ILE A 83 -8.488 2.185 -5.591 1.00 0.00 H new ATOM 0 HB ILE A 83 -7.722 0.852 -3.008 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.999 2.760 -3.266 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.225 1.153 -3.929 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.569 3.135 -2.108 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.357 2.832 -3.375 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.809 3.791 -3.745 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -10.947 1.235 -1.563 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.553 0.145 -1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.322 1.776 -1.078 1.00 0.00 H new ATOM 1298 N HIS A 84 -5.832 0.297 -5.260 1.00 0.00 N ATOM 1299 CA HIS A 84 -4.433 0.178 -5.635 1.00 0.00 C ATOM 1300 C HIS A 84 -4.262 0.567 -7.105 1.00 0.00 C ATOM 1301 O HIS A 84 -3.501 1.478 -7.426 1.00 0.00 O ATOM 1302 CB HIS A 84 -3.905 -1.224 -5.327 1.00 0.00 C ATOM 1303 CG HIS A 84 -3.106 -1.840 -6.451 1.00 0.00 C ATOM 1304 ND1 HIS A 84 -3.208 -3.175 -6.799 1.00 0.00 N ATOM 1305 CD2 HIS A 84 -2.191 -1.289 -7.299 1.00 0.00 C ATOM 1306 CE1 HIS A 84 -2.387 -3.407 -7.813 1.00 0.00 C ATOM 1307 NE2 HIS A 84 -1.758 -2.237 -8.121 1.00 0.00 N ATOM 0 H HIS A 84 -6.220 -0.523 -4.794 1.00 0.00 H new ATOM 0 HA HIS A 84 -3.833 0.867 -5.040 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -3.281 -1.178 -4.434 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -4.747 -1.875 -5.094 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -1.873 -0.257 -7.301 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.242 -4.356 -8.308 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -1.068 -2.111 -8.862 1.00 0.00 H new ATOM 1315 N ARG A 85 -4.982 -0.145 -7.960 1.00 0.00 N ATOM 1316 CA ARG A 85 -4.919 0.114 -9.388 1.00 0.00 C ATOM 1317 C ARG A 85 -5.142 1.602 -9.669 1.00 0.00 C ATOM 1318 O ARG A 85 -4.335 2.237 -10.345 1.00 0.00 O ATOM 1319 CB ARG A 85 -5.970 -0.703 -10.143 1.00 0.00 C ATOM 1320 CG ARG A 85 -5.592 -2.185 -10.175 1.00 0.00 C ATOM 1321 CD ARG A 85 -4.510 -2.453 -11.223 1.00 0.00 C ATOM 1322 NE ARG A 85 -4.043 -3.854 -11.123 1.00 0.00 N ATOM 1323 CZ ARG A 85 -3.465 -4.527 -12.127 1.00 0.00 C ATOM 1324 NH1 ARG A 85 -3.279 -3.931 -13.313 1.00 0.00 N ATOM 1325 NH2 ARG A 85 -3.073 -5.795 -11.945 1.00 0.00 N ATOM 0 H ARG A 85 -5.612 -0.901 -7.691 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.928 -0.180 -9.734 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.942 -0.582 -9.665 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.066 -0.326 -11.161 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.236 -2.494 -9.192 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.475 -2.784 -10.397 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -4.904 -2.263 -12.221 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -3.673 -1.771 -11.076 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.169 -4.338 -10.234 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.577 -2.965 -13.451 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.839 -4.443 -14.078 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.215 -6.248 -11.042 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.633 -6.307 -12.709 1.00 0.00 H new ATOM 1339 N SER A 86 -6.242 2.113 -9.135 1.00 0.00 N ATOM 1340 CA SER A 86 -6.581 3.514 -9.319 1.00 0.00 C ATOM 1341 C SER A 86 -5.362 4.391 -9.027 1.00 0.00 C ATOM 1342 O SER A 86 -5.073 5.326 -9.771 1.00 0.00 O ATOM 1343 CB SER A 86 -7.753 3.919 -8.423 1.00 0.00 C ATOM 1344 OG SER A 86 -8.881 3.067 -8.602 1.00 0.00 O ATOM 0 H SER A 86 -6.909 1.582 -8.575 1.00 0.00 H new ATOM 0 HA SER A 86 -6.884 3.659 -10.356 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.439 3.890 -7.380 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.038 4.948 -8.642 1.00 0.00 H new ATOM 0 HG SER A 86 -8.710 2.203 -8.173 1.00 0.00 H new ATOM 1350 N LEU A 87 -4.680 4.057 -7.941 1.00 0.00 N ATOM 1351 CA LEU A 87 -3.498 4.802 -7.541 1.00 0.00 C ATOM 1352 C LEU A 87 -2.387 4.578 -8.568 1.00 0.00 C ATOM 1353 O LEU A 87 -1.547 5.451 -8.780 1.00 0.00 O ATOM 1354 CB LEU A 87 -3.095 4.440 -6.110 1.00 0.00 C ATOM 1355 CG LEU A 87 -3.915 5.094 -4.996 1.00 0.00 C ATOM 1356 CD1 LEU A 87 -3.449 4.616 -3.620 1.00 0.00 C ATOM 1357 CD2 LEU A 87 -3.883 6.619 -5.115 1.00 0.00 C ATOM 0 H LEU A 87 -4.923 3.281 -7.326 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.709 5.871 -7.527 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.164 3.358 -5.997 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.048 4.709 -5.969 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.954 4.784 -5.109 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.048 5.096 -2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.567 3.535 -3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.400 4.876 -3.480 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.473 7.059 -4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.853 6.968 -5.042 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.300 6.918 -6.077 1.00 0.00 H new ATOM 1369 N MET A 88 -2.418 3.403 -9.180 1.00 0.00 N ATOM 1370 CA MET A 88 -1.424 3.052 -10.180 1.00 0.00 C ATOM 1371 C MET A 88 -1.857 3.521 -11.570 1.00 0.00 C ATOM 1372 O MET A 88 -1.075 3.467 -12.519 1.00 0.00 O ATOM 1373 CB MET A 88 -1.223 1.536 -10.191 1.00 0.00 C ATOM 1374 CG MET A 88 -0.656 1.068 -11.533 1.00 0.00 C ATOM 1375 SD MET A 88 0.062 -0.557 -11.359 1.00 0.00 S ATOM 1376 CE MET A 88 1.653 -0.120 -10.676 1.00 0.00 C ATOM 0 H MET A 88 -3.117 2.681 -9.002 1.00 0.00 H new ATOM 0 HA MET A 88 -0.488 3.548 -9.925 1.00 0.00 H new ATOM 0 HB2 MET A 88 -0.546 1.249 -9.386 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.174 1.038 -10.000 1.00 0.00 H new ATOM 0 HG2 MET A 88 -1.446 1.047 -12.284 1.00 0.00 H new ATOM 0 HG3 MET A 88 0.098 1.772 -11.884 1.00 0.00 H new ATOM 0 HE1 MET A 88 1.950 -0.867 -9.940 1.00 0.00 H new ATOM 0 HE2 MET A 88 2.394 -0.083 -11.475 1.00 0.00 H new ATOM 0 HE3 MET A 88 1.587 0.856 -10.196 1.00 0.00 H new ATOM 1386 N VAL A 89 -3.101 3.970 -11.648 1.00 0.00 N ATOM 1387 CA VAL A 89 -3.647 4.447 -12.907 1.00 0.00 C ATOM 1388 C VAL A 89 -3.234 5.906 -13.116 1.00 0.00 C ATOM 1389 O VAL A 89 -2.735 6.266 -14.181 1.00 0.00 O ATOM 1390 CB VAL A 89 -5.163 4.246 -12.929 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -5.786 4.904 -14.163 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -5.520 2.760 -12.863 1.00 0.00 C ATOM 0 H VAL A 89 -3.747 4.014 -10.859 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.244 3.872 -13.741 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.577 4.731 -12.045 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.864 4.746 -14.154 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.576 5.973 -14.150 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.362 4.462 -15.064 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.604 2.645 -12.880 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.087 2.243 -13.719 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.124 2.331 -11.942 1.00 0.00 H new ATOM 1402 N ASP A 90 -3.458 6.705 -12.084 1.00 0.00 N ATOM 1403 CA ASP A 90 -3.116 8.116 -12.141 1.00 0.00 C ATOM 1404 C ASP A 90 -1.735 8.327 -11.518 1.00 0.00 C ATOM 1405 O ASP A 90 -0.773 8.636 -12.220 1.00 0.00 O ATOM 1406 CB ASP A 90 -4.123 8.959 -11.357 1.00 0.00 C ATOM 1407 CG ASP A 90 -5.523 9.031 -11.970 1.00 0.00 C ATOM 1408 OD1 ASP A 90 -5.996 7.969 -12.428 1.00 0.00 O ATOM 1409 OD2 ASP A 90 -6.088 10.146 -11.966 1.00 0.00 O ATOM 0 H ASP A 90 -3.873 6.402 -11.203 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.126 8.423 -13.187 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.205 8.555 -10.348 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.731 9.972 -11.264 1.00 0.00 H new ATOM 1414 N HIS A 91 -1.680 8.151 -10.205 1.00 0.00 N ATOM 1415 CA HIS A 91 -0.433 8.319 -9.479 1.00 0.00 C ATOM 1416 C HIS A 91 0.406 7.045 -9.599 1.00 0.00 C ATOM 1417 O HIS A 91 0.690 6.388 -8.599 1.00 0.00 O ATOM 1418 CB HIS A 91 -0.699 8.719 -8.027 1.00 0.00 C ATOM 1419 CG HIS A 91 -1.793 9.747 -7.863 1.00 0.00 C ATOM 1420 ND1 HIS A 91 -1.536 11.103 -7.758 1.00 0.00 N ATOM 1421 CD2 HIS A 91 -3.147 9.604 -7.789 1.00 0.00 C ATOM 1422 CE1 HIS A 91 -2.692 11.738 -7.626 1.00 0.00 C ATOM 1423 NE2 HIS A 91 -3.689 10.808 -7.645 1.00 0.00 N ATOM 0 H HIS A 91 -2.479 7.894 -9.626 1.00 0.00 H new ATOM 0 HA HIS A 91 0.141 9.134 -9.920 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.964 7.828 -7.458 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.222 9.111 -7.595 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -0.614 11.539 -7.779 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -3.687 8.670 -7.839 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.822 12.805 -7.522 1.00 0.00 H new ATOM 1431 N VAL A 92 0.778 6.734 -10.832 1.00 0.00 N ATOM 1432 CA VAL A 92 1.579 5.551 -11.096 1.00 0.00 C ATOM 1433 C VAL A 92 3.051 5.865 -10.824 1.00 0.00 C ATOM 1434 O VAL A 92 3.723 5.130 -10.102 1.00 0.00 O ATOM 1435 CB VAL A 92 1.327 5.056 -12.522 1.00 0.00 C ATOM 1436 CG1 VAL A 92 2.113 5.888 -13.538 1.00 0.00 C ATOM 1437 CG2 VAL A 92 1.663 3.569 -12.654 1.00 0.00 C ATOM 0 H VAL A 92 0.539 7.281 -11.659 1.00 0.00 H new ATOM 0 HA VAL A 92 1.291 4.739 -10.428 1.00 0.00 H new ATOM 0 HB VAL A 92 0.266 5.180 -12.737 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.916 5.516 -14.543 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.804 6.931 -13.471 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.179 5.811 -13.325 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.475 3.243 -13.677 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.713 3.410 -12.410 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.040 2.993 -11.969 1.00 0.00 H new ATOM 1447 N THR A 93 3.509 6.958 -11.415 1.00 0.00 N ATOM 1448 CA THR A 93 4.890 7.379 -11.245 1.00 0.00 C ATOM 1449 C THR A 93 5.172 7.702 -9.777 1.00 0.00 C ATOM 1450 O THR A 93 6.326 7.867 -9.384 1.00 0.00 O ATOM 1451 CB THR A 93 5.144 8.558 -12.187 1.00 0.00 C ATOM 1452 OG1 THR A 93 4.377 9.621 -11.627 1.00 0.00 O ATOM 1453 CG2 THR A 93 4.530 8.345 -13.572 1.00 0.00 C ATOM 0 H THR A 93 2.949 7.566 -12.013 1.00 0.00 H new ATOM 0 HA THR A 93 5.583 6.579 -11.508 1.00 0.00 H new ATOM 0 HB THR A 93 6.218 8.717 -12.287 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.485 10.426 -12.175 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.740 9.211 -14.200 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.961 7.453 -14.028 1.00 0.00 H new ATOM 0 HG23 THR A 93 3.452 8.219 -13.476 1.00 0.00 H new ATOM 1461 N GLU A 94 4.098 7.783 -9.005 1.00 0.00 N ATOM 1462 CA GLU A 94 4.215 8.084 -7.588 1.00 0.00 C ATOM 1463 C GLU A 94 4.216 6.791 -6.770 1.00 0.00 C ATOM 1464 O GLU A 94 5.190 6.487 -6.084 1.00 0.00 O ATOM 1465 CB GLU A 94 3.095 9.021 -7.132 1.00 0.00 C ATOM 1466 CG GLU A 94 3.210 10.386 -7.814 1.00 0.00 C ATOM 1467 CD GLU A 94 1.868 11.120 -7.802 1.00 0.00 C ATOM 1468 OE1 GLU A 94 1.100 10.913 -8.766 1.00 0.00 O ATOM 1469 OE2 GLU A 94 1.640 11.870 -6.829 1.00 0.00 O ATOM 0 H GLU A 94 3.142 7.645 -9.334 1.00 0.00 H new ATOM 0 HA GLU A 94 5.162 8.597 -7.422 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.127 8.576 -7.363 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.139 9.146 -6.050 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.963 10.988 -7.305 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.548 10.255 -8.842 1.00 0.00 H new ATOM 1476 N VAL A 95 3.112 6.064 -6.869 1.00 0.00 N ATOM 1477 CA VAL A 95 2.973 4.812 -6.147 1.00 0.00 C ATOM 1478 C VAL A 95 4.051 3.833 -6.619 1.00 0.00 C ATOM 1479 O VAL A 95 4.466 2.952 -5.868 1.00 0.00 O ATOM 1480 CB VAL A 95 1.554 4.265 -6.315 1.00 0.00 C ATOM 1481 CG1 VAL A 95 0.512 5.328 -5.964 1.00 0.00 C ATOM 1482 CG2 VAL A 95 1.337 3.732 -7.733 1.00 0.00 C ATOM 0 H VAL A 95 2.306 6.319 -7.439 1.00 0.00 H new ATOM 0 HA VAL A 95 3.122 4.969 -5.079 1.00 0.00 H new ATOM 0 HB VAL A 95 1.431 3.433 -5.621 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.488 4.913 -6.092 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.646 5.640 -4.928 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.635 6.189 -6.621 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.321 3.349 -7.826 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.489 4.537 -8.452 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.047 2.929 -7.933 1.00 0.00 H new ATOM 1492 N SER A 96 4.473 4.022 -7.860 1.00 0.00 N ATOM 1493 CA SER A 96 5.495 3.167 -8.441 1.00 0.00 C ATOM 1494 C SER A 96 6.790 3.278 -7.635 1.00 0.00 C ATOM 1495 O SER A 96 6.964 4.216 -6.859 1.00 0.00 O ATOM 1496 CB SER A 96 5.748 3.530 -9.906 1.00 0.00 C ATOM 1497 OG SER A 96 6.092 4.903 -10.064 1.00 0.00 O ATOM 0 H SER A 96 4.126 4.754 -8.480 1.00 0.00 H new ATOM 0 HA SER A 96 5.141 2.137 -8.406 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.551 2.907 -10.300 1.00 0.00 H new ATOM 0 HB3 SER A 96 4.856 3.310 -10.493 1.00 0.00 H new ATOM 0 HG SER A 96 5.332 5.463 -9.800 1.00 0.00 H new ATOM 1503 N GLN A 97 7.666 2.307 -7.847 1.00 0.00 N ATOM 1504 CA GLN A 97 8.941 2.283 -7.150 1.00 0.00 C ATOM 1505 C GLN A 97 8.776 1.656 -5.764 1.00 0.00 C ATOM 1506 O GLN A 97 9.736 1.572 -4.999 1.00 0.00 O ATOM 1507 CB GLN A 97 9.536 3.689 -7.048 1.00 0.00 C ATOM 1508 CG GLN A 97 11.017 3.686 -7.433 1.00 0.00 C ATOM 1509 CD GLN A 97 11.597 5.102 -7.392 1.00 0.00 C ATOM 1510 OE1 GLN A 97 11.565 5.842 -8.361 1.00 0.00 O ATOM 1511 NE2 GLN A 97 12.127 5.435 -6.219 1.00 0.00 N ATOM 0 H GLN A 97 7.518 1.531 -8.492 1.00 0.00 H new ATOM 0 HA GLN A 97 9.636 1.670 -7.724 1.00 0.00 H new ATOM 0 HB2 GLN A 97 8.988 4.368 -7.701 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.422 4.063 -6.031 1.00 0.00 H new ATOM 0 HG2 GLN A 97 11.572 3.042 -6.751 1.00 0.00 H new ATOM 0 HG3 GLN A 97 11.136 3.269 -8.433 1.00 0.00 H new ATOM 0 HE21 GLN A 97 12.121 4.767 -5.448 1.00 0.00 H new ATOM 0 HE22 GLN A 97 12.540 6.359 -6.090 1.00 0.00 H new ATOM 1520 N TRP A 98 7.553 1.233 -5.482 1.00 0.00 N ATOM 1521 CA TRP A 98 7.250 0.617 -4.202 1.00 0.00 C ATOM 1522 C TRP A 98 5.907 -0.106 -4.330 1.00 0.00 C ATOM 1523 O TRP A 98 5.772 -1.252 -3.905 1.00 0.00 O ATOM 1524 CB TRP A 98 7.266 1.653 -3.077 1.00 0.00 C ATOM 1525 CG TRP A 98 6.242 2.777 -3.251 1.00 0.00 C ATOM 1526 CD1 TRP A 98 6.413 3.964 -3.848 1.00 0.00 C ATOM 1527 CD2 TRP A 98 4.872 2.769 -2.797 1.00 0.00 C ATOM 1528 NE1 TRP A 98 5.259 4.719 -3.812 1.00 0.00 N ATOM 1529 CE2 TRP A 98 4.292 3.970 -3.153 1.00 0.00 C ATOM 1530 CE3 TRP A 98 4.147 1.781 -2.109 1.00 0.00 C ATOM 1531 CZ2 TRP A 98 2.961 4.294 -2.862 1.00 0.00 C ATOM 1532 CZ3 TRP A 98 2.818 2.120 -1.826 1.00 0.00 C ATOM 1533 CH2 TRP A 98 2.219 3.324 -2.177 1.00 0.00 C ATOM 0 H TRP A 98 6.759 1.305 -6.119 1.00 0.00 H new ATOM 0 HA TRP A 98 8.014 -0.113 -3.936 1.00 0.00 H new ATOM 0 HB2 TRP A 98 7.078 1.148 -2.129 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.263 2.090 -3.014 1.00 0.00 H new ATOM 0 HD1 TRP A 98 7.338 4.289 -4.301 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.138 5.655 -4.198 1.00 0.00 H new ATOM 0 HE3 TRP A 98 4.581 0.835 -1.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 2.530 5.241 -3.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 2.216 1.395 -1.298 1.00 0.00 H new ATOM 0 HH2 TRP A 98 1.186 3.511 -1.923 1.00 0.00 H new ATOM 1544 N MET A 99 4.949 0.595 -4.919 1.00 0.00 N ATOM 1545 CA MET A 99 3.622 0.034 -5.109 1.00 0.00 C ATOM 1546 C MET A 99 3.700 -1.451 -5.465 1.00 0.00 C ATOM 1547 O MET A 99 2.925 -2.258 -4.953 1.00 0.00 O ATOM 1548 CB MET A 99 2.903 0.791 -6.227 1.00 0.00 C ATOM 1549 CG MET A 99 1.656 0.035 -6.688 1.00 0.00 C ATOM 1550 SD MET A 99 0.245 1.127 -6.690 1.00 0.00 S ATOM 1551 CE MET A 99 -0.164 1.109 -4.952 1.00 0.00 C ATOM 0 H MET A 99 5.065 1.545 -5.271 1.00 0.00 H new ATOM 0 HA MET A 99 3.068 0.135 -4.176 1.00 0.00 H new ATOM 0 HB2 MET A 99 2.622 1.784 -5.876 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.580 0.931 -7.070 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.815 -0.369 -7.688 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.470 -0.812 -6.028 1.00 0.00 H new ATOM 0 HE1 MET A 99 -1.031 1.746 -4.776 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.394 0.089 -4.643 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.683 1.481 -4.375 1.00 0.00 H new ATOM 1561 N VAL A 100 4.642 -1.768 -6.341 1.00 0.00 N ATOM 1562 CA VAL A 100 4.832 -3.143 -6.772 1.00 0.00 C ATOM 1563 C VAL A 100 4.805 -4.064 -5.550 1.00 0.00 C ATOM 1564 O VAL A 100 4.136 -5.097 -5.562 1.00 0.00 O ATOM 1565 CB VAL A 100 6.123 -3.264 -7.583 1.00 0.00 C ATOM 1566 CG1 VAL A 100 6.038 -2.446 -8.874 1.00 0.00 C ATOM 1567 CG2 VAL A 100 7.336 -2.848 -6.749 1.00 0.00 C ATOM 0 H VAL A 100 5.282 -1.096 -6.764 1.00 0.00 H new ATOM 0 HA VAL A 100 4.020 -3.452 -7.431 1.00 0.00 H new ATOM 0 HB VAL A 100 6.249 -4.311 -7.857 1.00 0.00 H new ATOM 0 HG11 VAL A 100 6.969 -2.549 -9.432 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.209 -2.809 -9.481 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.876 -1.396 -8.630 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.241 -2.944 -7.350 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.220 -1.812 -6.430 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.413 -3.491 -5.873 1.00 0.00 H new ATOM 1577 N GLY A 101 5.540 -3.658 -4.526 1.00 0.00 N ATOM 1578 CA GLY A 101 5.609 -4.434 -3.300 1.00 0.00 C ATOM 1579 C GLY A 101 4.222 -4.600 -2.677 1.00 0.00 C ATOM 1580 O GLY A 101 3.743 -5.721 -2.509 1.00 0.00 O ATOM 0 H GLY A 101 6.093 -2.801 -4.520 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.037 -5.414 -3.510 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.274 -3.941 -2.590 1.00 0.00 H new ATOM 1584 N VAL A 102 3.614 -3.468 -2.353 1.00 0.00 N ATOM 1585 CA VAL A 102 2.291 -3.475 -1.753 1.00 0.00 C ATOM 1586 C VAL A 102 1.377 -4.405 -2.554 1.00 0.00 C ATOM 1587 O VAL A 102 0.665 -5.227 -1.979 1.00 0.00 O ATOM 1588 CB VAL A 102 1.753 -2.045 -1.657 1.00 0.00 C ATOM 1589 CG1 VAL A 102 0.305 -2.037 -1.161 1.00 0.00 C ATOM 1590 CG2 VAL A 102 2.645 -1.183 -0.762 1.00 0.00 C ATOM 0 H VAL A 102 4.013 -2.540 -2.495 1.00 0.00 H new ATOM 0 HA VAL A 102 2.335 -3.861 -0.735 1.00 0.00 H new ATOM 0 HB VAL A 102 1.767 -1.613 -2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.054 -1.009 -1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.320 -2.600 -1.854 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.256 -2.496 -0.174 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.241 -0.172 -0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.678 -1.612 0.240 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.653 -1.150 -1.176 1.00 0.00 H new ATOM 1600 N LYS A 103 1.426 -4.243 -3.868 1.00 0.00 N ATOM 1601 CA LYS A 103 0.612 -5.058 -4.753 1.00 0.00 C ATOM 1602 C LYS A 103 0.691 -6.520 -4.310 1.00 0.00 C ATOM 1603 O LYS A 103 -0.335 -7.166 -4.100 1.00 0.00 O ATOM 1604 CB LYS A 103 1.017 -4.834 -6.211 1.00 0.00 C ATOM 1605 CG LYS A 103 0.198 -5.722 -7.151 1.00 0.00 C ATOM 1606 CD LYS A 103 1.110 -6.531 -8.075 1.00 0.00 C ATOM 1607 CE LYS A 103 1.427 -5.750 -9.352 1.00 0.00 C ATOM 1608 NZ LYS A 103 2.885 -5.742 -9.606 1.00 0.00 N ATOM 0 H LYS A 103 2.017 -3.559 -4.341 1.00 0.00 H new ATOM 0 HA LYS A 103 -0.435 -4.762 -4.688 1.00 0.00 H new ATOM 0 HB2 LYS A 103 0.871 -3.787 -6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 103 2.078 -5.049 -6.334 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.426 -6.398 -6.566 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.474 -5.104 -7.747 1.00 0.00 H new ATOM 0 HD2 LYS A 103 2.036 -6.776 -7.555 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.629 -7.475 -8.331 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.907 -6.199 -10.198 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.062 -4.727 -9.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 3.083 -5.208 -10.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 3.374 -5.293 -8.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 3.224 -6.719 -9.715 1.00 0.00 H new ATOM 1622 N ARG A 104 1.919 -7.000 -4.181 1.00 0.00 N ATOM 1623 CA ARG A 104 2.146 -8.374 -3.767 1.00 0.00 C ATOM 1624 C ARG A 104 1.574 -8.608 -2.367 1.00 0.00 C ATOM 1625 O ARG A 104 0.869 -9.590 -2.137 1.00 0.00 O ATOM 1626 CB ARG A 104 3.639 -8.709 -3.763 1.00 0.00 C ATOM 1627 CG ARG A 104 3.888 -10.095 -3.164 1.00 0.00 C ATOM 1628 CD ARG A 104 3.260 -11.188 -4.031 1.00 0.00 C ATOM 1629 NE ARG A 104 3.761 -12.516 -3.612 1.00 0.00 N ATOM 1630 CZ ARG A 104 3.326 -13.678 -4.120 1.00 0.00 C ATOM 1631 NH1 ARG A 104 2.379 -13.681 -5.068 1.00 0.00 N ATOM 1632 NH2 ARG A 104 3.837 -14.835 -3.680 1.00 0.00 N ATOM 0 H ARG A 104 2.768 -6.462 -4.356 1.00 0.00 H new ATOM 0 HA ARG A 104 1.642 -9.023 -4.483 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.026 -8.674 -4.781 1.00 0.00 H new ATOM 0 HB3 ARG A 104 4.182 -7.958 -3.190 1.00 0.00 H new ATOM 0 HG2 ARG A 104 4.960 -10.269 -3.074 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.472 -10.140 -2.158 1.00 0.00 H new ATOM 0 HD2 ARG A 104 2.174 -11.155 -3.942 1.00 0.00 H new ATOM 0 HD3 ARG A 104 3.499 -11.014 -5.080 1.00 0.00 H new ATOM 0 HE ARG A 104 4.482 -12.549 -2.892 1.00 0.00 H new ATOM 0 HH11 ARG A 104 1.990 -12.800 -5.403 1.00 0.00 H new ATOM 0 HH12 ARG A 104 2.048 -14.565 -5.455 1.00 0.00 H new ATOM 0 HH21 ARG A 104 4.558 -14.833 -2.958 1.00 0.00 H new ATOM 0 HH22 ARG A 104 3.506 -15.719 -4.067 1.00 0.00 H new ATOM 1646 N LEU A 105 1.899 -7.690 -1.469 1.00 0.00 N ATOM 1647 CA LEU A 105 1.426 -7.784 -0.098 1.00 0.00 C ATOM 1648 C LEU A 105 -0.031 -8.249 -0.097 1.00 0.00 C ATOM 1649 O LEU A 105 -0.352 -9.294 0.467 1.00 0.00 O ATOM 1650 CB LEU A 105 1.650 -6.461 0.637 1.00 0.00 C ATOM 1651 CG LEU A 105 1.462 -6.498 2.155 1.00 0.00 C ATOM 1652 CD1 LEU A 105 2.745 -6.078 2.877 1.00 0.00 C ATOM 1653 CD2 LEU A 105 0.262 -5.649 2.580 1.00 0.00 C ATOM 0 H LEU A 105 2.484 -6.877 -1.664 1.00 0.00 H new ATOM 0 HA LEU A 105 1.999 -8.530 0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.662 -6.117 0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.967 -5.718 0.224 1.00 0.00 H new ATOM 0 HG LEU A 105 1.249 -7.526 2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.584 -6.113 3.955 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.553 -6.758 2.608 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.012 -5.063 2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.151 -5.693 3.663 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.421 -4.615 2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.642 -6.033 2.107 1.00 0.00 H new ATOM 1665 N ILE A 106 -0.875 -7.450 -0.734 1.00 0.00 N ATOM 1666 CA ILE A 106 -2.291 -7.767 -0.813 1.00 0.00 C ATOM 1667 C ILE A 106 -2.459 -9.249 -1.153 1.00 0.00 C ATOM 1668 O ILE A 106 -3.176 -9.971 -0.461 1.00 0.00 O ATOM 1669 CB ILE A 106 -2.996 -6.828 -1.793 1.00 0.00 C ATOM 1670 CG1 ILE A 106 -2.858 -5.370 -1.351 1.00 0.00 C ATOM 1671 CG2 ILE A 106 -4.459 -7.233 -1.984 1.00 0.00 C ATOM 1672 CD1 ILE A 106 -2.845 -4.429 -2.558 1.00 0.00 C ATOM 0 H ILE A 106 -0.605 -6.584 -1.200 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.772 -7.604 0.151 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.508 -6.918 -2.763 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.684 -5.107 -0.690 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.939 -5.245 -0.778 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.937 -6.549 -2.685 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.507 -8.248 -2.377 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.976 -7.190 -1.026 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.746 -3.399 -2.215 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.004 -4.679 -3.205 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.776 -4.538 -3.115 1.00 0.00 H new ATOM 1684 N ALA A 107 -1.786 -9.660 -2.218 1.00 0.00 N ATOM 1685 CA ALA A 107 -1.852 -11.043 -2.658 1.00 0.00 C ATOM 1686 C ALA A 107 -1.443 -11.961 -1.504 1.00 0.00 C ATOM 1687 O ALA A 107 -2.071 -12.994 -1.276 1.00 0.00 O ATOM 1688 CB ALA A 107 -0.968 -11.229 -3.892 1.00 0.00 C ATOM 0 H ALA A 107 -1.192 -9.059 -2.789 1.00 0.00 H new ATOM 0 HA ALA A 107 -2.870 -11.306 -2.944 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.018 -12.267 -4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.318 -10.577 -4.692 1.00 0.00 H new ATOM 0 HB3 ALA A 107 0.063 -10.976 -3.643 1.00 0.00 H new ATOM 1694 N GLU A 108 -0.394 -11.550 -0.807 1.00 0.00 N ATOM 1695 CA GLU A 108 0.106 -12.323 0.317 1.00 0.00 C ATOM 1696 C GLU A 108 -0.966 -12.435 1.403 1.00 0.00 C ATOM 1697 O GLU A 108 -1.468 -13.524 1.674 1.00 0.00 O ATOM 1698 CB GLU A 108 1.391 -11.708 0.877 1.00 0.00 C ATOM 1699 CG GLU A 108 2.526 -11.783 -0.147 1.00 0.00 C ATOM 1700 CD GLU A 108 3.530 -12.875 0.227 1.00 0.00 C ATOM 1701 OE1 GLU A 108 4.218 -12.685 1.254 1.00 0.00 O ATOM 1702 OE2 GLU A 108 3.588 -13.874 -0.522 1.00 0.00 O ATOM 0 H GLU A 108 0.123 -10.692 -0.999 1.00 0.00 H new ATOM 0 HA GLU A 108 0.345 -13.326 -0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 108 1.212 -10.668 1.151 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.682 -12.232 1.787 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.115 -11.985 -1.136 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.034 -10.820 -0.203 1.00 0.00 H new ATOM 1709 N LYS A 109 -1.285 -11.293 1.995 1.00 0.00 N ATOM 1710 CA LYS A 109 -2.288 -11.249 3.045 1.00 0.00 C ATOM 1711 C LYS A 109 -3.453 -12.169 2.670 1.00 0.00 C ATOM 1712 O LYS A 109 -3.825 -13.051 3.442 1.00 0.00 O ATOM 1713 CB LYS A 109 -2.710 -9.805 3.323 1.00 0.00 C ATOM 1714 CG LYS A 109 -1.713 -9.113 4.256 1.00 0.00 C ATOM 1715 CD LYS A 109 -1.861 -9.622 5.691 1.00 0.00 C ATOM 1716 CE LYS A 109 -2.891 -8.795 6.463 1.00 0.00 C ATOM 1717 NZ LYS A 109 -3.140 -9.390 7.795 1.00 0.00 N ATOM 0 H LYS A 109 -0.866 -10.391 1.767 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.875 -11.622 3.982 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.778 -9.255 2.384 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -3.703 -9.792 3.772 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.697 -9.293 3.906 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.873 -8.035 4.230 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -2.165 -10.669 5.680 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.897 -9.575 6.198 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -2.533 -7.772 6.576 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -3.823 -8.746 5.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -3.841 -8.817 8.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.502 -10.358 7.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -2.252 -9.414 8.336 1.00 0.00 H new ATOM 1731 N LYS A 110 -3.995 -11.930 1.485 1.00 0.00 N ATOM 1732 CA LYS A 110 -5.110 -12.726 0.999 1.00 0.00 C ATOM 1733 C LYS A 110 -4.791 -14.210 1.187 1.00 0.00 C ATOM 1734 O LYS A 110 -5.555 -14.937 1.820 1.00 0.00 O ATOM 1735 CB LYS A 110 -5.449 -12.347 -0.444 1.00 0.00 C ATOM 1736 CG LYS A 110 -6.562 -13.239 -0.998 1.00 0.00 C ATOM 1737 CD LYS A 110 -6.868 -12.892 -2.456 1.00 0.00 C ATOM 1738 CE LYS A 110 -8.165 -13.559 -2.918 1.00 0.00 C ATOM 1739 NZ LYS A 110 -8.849 -12.719 -3.927 1.00 0.00 N ATOM 0 H LYS A 110 -3.683 -11.197 0.847 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.009 -12.517 1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.760 -11.303 -0.486 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.559 -12.440 -1.067 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.265 -14.285 -0.924 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.462 -13.120 -0.395 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -6.952 -11.811 -2.566 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.043 -13.214 -3.091 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -7.946 -14.540 -3.341 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.823 -13.720 -2.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -9.727 -13.186 -4.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -9.075 -11.793 -3.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -8.226 -12.587 -4.749 1.00 0.00 H new ATOM 1753 N SER A 111 -3.662 -14.616 0.625 1.00 0.00 N ATOM 1754 CA SER A 111 -3.234 -16.001 0.722 1.00 0.00 C ATOM 1755 C SER A 111 -3.484 -16.528 2.137 1.00 0.00 C ATOM 1756 O SER A 111 -4.217 -17.498 2.321 1.00 0.00 O ATOM 1757 CB SER A 111 -1.756 -16.147 0.355 1.00 0.00 C ATOM 1758 OG SER A 111 -1.560 -17.062 -0.720 1.00 0.00 O ATOM 0 H SER A 111 -3.031 -14.010 0.101 1.00 0.00 H new ATOM 0 HA SER A 111 -3.817 -16.590 0.014 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.353 -15.172 0.079 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.198 -16.488 1.227 1.00 0.00 H new ATOM 0 HG SER A 111 -0.604 -17.126 -0.925 1.00 0.00 H new ATOM 1764 N LEU A 112 -2.860 -15.865 3.099 1.00 0.00 N ATOM 1765 CA LEU A 112 -3.006 -16.255 4.492 1.00 0.00 C ATOM 1766 C LEU A 112 -4.492 -16.306 4.849 1.00 0.00 C ATOM 1767 O LEU A 112 -5.007 -17.357 5.228 1.00 0.00 O ATOM 1768 CB LEU A 112 -2.188 -15.330 5.395 1.00 0.00 C ATOM 1769 CG LEU A 112 -0.668 -15.401 5.228 1.00 0.00 C ATOM 1770 CD1 LEU A 112 -0.131 -14.136 4.557 1.00 0.00 C ATOM 1771 CD2 LEU A 112 0.018 -15.675 6.568 1.00 0.00 C ATOM 0 H LEU A 112 -2.252 -15.061 2.942 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.605 -17.256 4.652 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.506 -14.303 5.213 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -2.431 -15.560 6.432 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.435 -16.238 4.570 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.951 -14.212 4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.586 -14.025 3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.375 -13.268 5.169 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.097 -15.721 6.422 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.220 -14.875 7.269 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.334 -16.625 6.969 1.00 0.00 H new