USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 802 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 107 THR OG1 : rot -149:sc= 0.286 USER MOD Set 1.2: A 109 HIS : no HD1:sc= 0 X(o=0.29,f=0.29) USER MOD Set 2.1: A 69 THR OG1 : rot -74:sc= 1.09 USER MOD Set 2.2: A 71 SER OG : rot 180:sc= 0.0304 USER MOD Set 3.1: A 25 SER OG : rot -46:sc= 0.568 USER MOD Set 3.2: A 26 THR OG1 : rot 2:sc= 1.26 USER MOD Single : A 10 MET CE :methyl 141:sc= -0.136 (180deg=-0.894) USER MOD Single : A 14 HIS :FLIP no HD1:sc= -0.0628 F(o=-0.71,f=-0.063) USER MOD Single : A 15 ASN : amide:sc= -0.0503 K(o=-0.05,f=-2.1!) USER MOD Single : A 19 SER OG : rot -30:sc= 0.224 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -107:sc= 1.02 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0489 USER MOD Single : A 38 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.00027) USER MOD Single : A 40 MET CE :methyl 169:sc= -0.0568 (180deg=-0.22) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc=-0.00217 X(o=-0.0022,f=-0.11) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.206 USER MOD Single : A 64 MET CE :methyl 141:sc= -0.323 (180deg=-1.37) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.0205 X(o=-0.021,f=-0.52) USER MOD Single : A 74 HIS : no HD1:sc= -7.09! C(o=-7.1!,f=-7!) USER MOD Single : A 80 GLN : amide:sc= -0.275 X(o=-0.28,f=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 90 GLN : amide:sc= -0.195 X(o=-0.2,f=-0.25) USER MOD Single : A 96 LYS NZ :NH3+ 157:sc= -0.708 (180deg=-1.51!) USER MOD Single : A 99 THR OG1 : rot 160:sc= -0.211 USER MOD Single : A 104 ASN :FLIP amide:sc= -2.49 F(o=-3.2!,f=-2.5) USER MOD ----------------------------------------------------------------- ATOM 91 N PRO A 8 -12.426 -5.163 9.539 1.00 0.00 N ATOM 92 CA PRO A 8 -11.095 -5.309 10.171 1.00 0.00 C ATOM 93 C PRO A 8 -10.731 -6.799 10.312 1.00 0.00 C ATOM 94 O PRO A 8 -11.605 -7.633 10.487 1.00 0.00 O ATOM 95 CB PRO A 8 -11.274 -4.667 11.548 1.00 0.00 C ATOM 96 CG PRO A 8 -12.787 -4.713 11.862 1.00 0.00 C ATOM 97 CD PRO A 8 -13.516 -4.920 10.520 1.00 0.00 C ATOM 0 HA PRO A 8 -10.295 -4.848 9.591 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -10.704 -5.207 12.304 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.909 -3.640 11.547 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -13.013 -5.524 12.554 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -13.111 -3.788 12.339 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -14.203 -5.765 10.568 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -14.106 -4.044 10.249 1.00 0.00 H new ATOM 105 N GLY A 9 -9.450 -7.135 10.242 1.00 0.00 N ATOM 106 CA GLY A 9 -9.014 -8.563 10.375 1.00 0.00 C ATOM 107 C GLY A 9 -9.686 -9.439 9.300 1.00 0.00 C ATOM 108 O GLY A 9 -9.724 -10.651 9.430 1.00 0.00 O ATOM 0 H GLY A 9 -8.690 -6.470 10.097 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -7.930 -8.628 10.279 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.269 -8.936 11.367 1.00 0.00 H new ATOM 112 N MET A 10 -10.210 -8.835 8.248 1.00 0.00 N ATOM 113 CA MET A 10 -10.880 -9.615 7.157 1.00 0.00 C ATOM 114 C MET A 10 -10.512 -8.979 5.793 1.00 0.00 C ATOM 115 O MET A 10 -10.984 -7.895 5.506 1.00 0.00 O ATOM 116 CB MET A 10 -12.396 -9.539 7.355 1.00 0.00 C ATOM 117 CG MET A 10 -12.812 -10.541 8.432 1.00 0.00 C ATOM 118 SD MET A 10 -14.574 -10.346 8.791 1.00 0.00 S ATOM 119 CE MET A 10 -15.195 -10.989 7.218 1.00 0.00 C ATOM 0 H MET A 10 -10.199 -7.825 8.103 1.00 0.00 H new ATOM 0 HA MET A 10 -10.555 -10.655 7.182 1.00 0.00 H new ATOM 0 HB2 MET A 10 -12.687 -8.530 7.648 1.00 0.00 H new ATOM 0 HB3 MET A 10 -12.909 -9.759 6.419 1.00 0.00 H new ATOM 0 HG2 MET A 10 -12.609 -11.558 8.095 1.00 0.00 H new ATOM 0 HG3 MET A 10 -12.226 -10.382 9.337 1.00 0.00 H new ATOM 0 HE1 MET A 10 -16.085 -11.592 7.397 1.00 0.00 H new ATOM 0 HE2 MET A 10 -15.447 -10.158 6.559 1.00 0.00 H new ATOM 0 HE3 MET A 10 -14.428 -11.605 6.748 1.00 0.00 H new ATOM 129 N ALA A 11 -9.666 -9.619 4.964 1.00 0.00 N ATOM 130 CA ALA A 11 -9.243 -9.039 3.631 1.00 0.00 C ATOM 131 C ALA A 11 -8.032 -8.134 3.865 1.00 0.00 C ATOM 132 O ALA A 11 -6.965 -8.362 3.317 1.00 0.00 O ATOM 133 CB ALA A 11 -10.374 -8.241 2.958 1.00 0.00 C ATOM 0 H ALA A 11 -9.254 -10.529 5.171 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.992 -9.859 2.958 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.023 -7.845 2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.229 -8.895 2.786 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.673 -7.417 3.606 1.00 0.00 H new ATOM 139 N ILE A 12 -8.189 -7.131 4.702 1.00 0.00 N ATOM 140 CA ILE A 12 -7.064 -6.209 5.034 1.00 0.00 C ATOM 141 C ILE A 12 -6.598 -6.551 6.467 1.00 0.00 C ATOM 142 O ILE A 12 -7.272 -6.169 7.411 1.00 0.00 O ATOM 143 CB ILE A 12 -7.555 -4.756 4.988 1.00 0.00 C ATOM 144 CG1 ILE A 12 -8.278 -4.495 3.662 1.00 0.00 C ATOM 145 CG2 ILE A 12 -6.359 -3.812 5.106 1.00 0.00 C ATOM 146 CD1 ILE A 12 -8.894 -3.092 3.672 1.00 0.00 C ATOM 0 H ILE A 12 -9.067 -6.914 5.174 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.248 -6.323 4.321 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.243 -4.583 5.815 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -7.578 -4.589 2.832 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.056 -5.242 3.509 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.706 -2.779 5.073 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.845 -3.992 6.050 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.672 -3.990 4.279 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.406 -2.913 2.727 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.608 -3.014 4.492 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.107 -2.350 3.804 1.00 0.00 H new ATOM 158 N PRO A 13 -5.502 -7.299 6.618 1.00 0.00 N ATOM 159 CA PRO A 13 -5.030 -7.713 7.953 1.00 0.00 C ATOM 160 C PRO A 13 -4.241 -6.597 8.631 1.00 0.00 C ATOM 161 O PRO A 13 -3.978 -5.561 8.042 1.00 0.00 O ATOM 162 CB PRO A 13 -4.153 -8.933 7.673 1.00 0.00 C ATOM 163 CG PRO A 13 -3.716 -8.836 6.191 1.00 0.00 C ATOM 164 CD PRO A 13 -4.629 -7.791 5.518 1.00 0.00 C ATOM 0 HA PRO A 13 -5.848 -7.940 8.636 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.285 -8.945 8.332 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.704 -9.856 7.854 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.670 -8.539 6.116 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.809 -9.804 5.698 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.048 -6.980 5.079 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.215 -8.235 4.714 1.00 0.00 H new ATOM 172 N HIS A 14 -3.889 -6.813 9.876 1.00 0.00 N ATOM 173 CA HIS A 14 -3.139 -5.806 10.659 1.00 0.00 C ATOM 174 C HIS A 14 -1.692 -5.717 10.128 1.00 0.00 C ATOM 175 O HIS A 14 -1.127 -6.717 9.715 1.00 0.00 O ATOM 176 CB HIS A 14 -3.150 -6.256 12.121 1.00 0.00 C ATOM 177 CG HIS A 14 -4.574 -6.442 12.582 1.00 0.00 C ATOM 178 ND1 HIS A 14 -5.460 -7.473 12.410 1.00 0.00 N flip ATOM 179 CD2 HIS A 14 -5.255 -5.477 13.311 1.00 0.00 C flip ATOM 180 CE1 HIS A 14 -6.672 -7.161 13.019 1.00 0.00 C flip ATOM 181 NE2 HIS A 14 -6.495 -5.947 13.548 1.00 0.00 N flip ATOM 0 H HIS A 14 -4.100 -7.671 10.386 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.594 -4.820 10.570 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.597 -7.189 12.229 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.649 -5.515 12.744 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.862 -4.523 13.630 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.564 -7.769 13.056 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -7.211 -5.439 14.067 1.00 0.00 H new ATOM 189 N ASN A 15 -1.103 -4.530 10.119 1.00 0.00 N ATOM 190 CA ASN A 15 0.291 -4.355 9.598 1.00 0.00 C ATOM 191 C ASN A 15 0.362 -4.793 8.106 1.00 0.00 C ATOM 192 O ASN A 15 1.200 -5.608 7.746 1.00 0.00 O ATOM 193 CB ASN A 15 1.253 -5.197 10.460 1.00 0.00 C ATOM 194 CG ASN A 15 2.706 -4.726 10.270 1.00 0.00 C ATOM 195 OD1 ASN A 15 3.037 -4.065 9.301 1.00 0.00 O ATOM 196 ND2 ASN A 15 3.599 -5.053 11.164 1.00 0.00 N ATOM 0 H ASN A 15 -1.540 -3.672 10.456 1.00 0.00 H new ATOM 0 HA ASN A 15 0.581 -3.306 9.656 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.974 -5.116 11.510 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.168 -6.249 10.187 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.568 -4.755 11.050 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.328 -5.606 11.977 1.00 0.00 H new ATOM 203 N PRO A 16 -0.519 -4.246 7.262 1.00 0.00 N ATOM 204 CA PRO A 16 -0.545 -4.590 5.820 1.00 0.00 C ATOM 205 C PRO A 16 0.489 -3.774 5.032 1.00 0.00 C ATOM 206 O PRO A 16 1.053 -2.816 5.534 1.00 0.00 O ATOM 207 CB PRO A 16 -1.948 -4.174 5.377 1.00 0.00 C ATOM 208 CG PRO A 16 -2.418 -3.092 6.374 1.00 0.00 C ATOM 209 CD PRO A 16 -1.568 -3.258 7.645 1.00 0.00 C ATOM 0 HA PRO A 16 -0.315 -5.642 5.648 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.934 -3.784 4.359 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.626 -5.028 5.382 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.290 -2.095 5.951 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.478 -3.209 6.600 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.127 -2.310 7.955 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.168 -3.619 8.480 1.00 0.00 H new ATOM 217 N LEU A 17 0.692 -4.136 3.781 1.00 0.00 N ATOM 218 CA LEU A 17 1.636 -3.391 2.883 1.00 0.00 C ATOM 219 C LEU A 17 3.016 -3.195 3.545 1.00 0.00 C ATOM 220 O LEU A 17 3.646 -2.156 3.387 1.00 0.00 O ATOM 221 CB LEU A 17 0.998 -2.029 2.554 1.00 0.00 C ATOM 222 CG LEU A 17 0.053 -2.145 1.342 1.00 0.00 C ATOM 223 CD1 LEU A 17 0.869 -2.415 0.081 1.00 0.00 C ATOM 224 CD2 LEU A 17 -0.955 -3.286 1.543 1.00 0.00 C ATOM 0 H LEU A 17 0.233 -4.932 3.339 1.00 0.00 H new ATOM 0 HA LEU A 17 1.803 -3.967 1.973 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.444 -1.664 3.419 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.779 -1.298 2.343 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.493 -1.207 1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.199 -2.497 -0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.568 -1.595 -0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.423 -3.346 0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.611 -3.349 0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.419 -4.228 1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.551 -3.092 2.435 1.00 0.00 H new ATOM 236 N ASP A 18 3.497 -4.191 4.263 1.00 0.00 N ATOM 237 CA ASP A 18 4.845 -4.079 4.920 1.00 0.00 C ATOM 238 C ASP A 18 5.943 -4.308 3.876 1.00 0.00 C ATOM 239 O ASP A 18 6.938 -3.581 3.823 1.00 0.00 O ATOM 240 CB ASP A 18 4.970 -5.118 6.043 1.00 0.00 C ATOM 241 CG ASP A 18 4.688 -6.515 5.486 1.00 0.00 C ATOM 242 OD1 ASP A 18 5.597 -7.101 4.924 1.00 0.00 O ATOM 243 OD2 ASP A 18 3.567 -6.974 5.634 1.00 0.00 O ATOM 0 H ASP A 18 3.014 -5.075 4.421 1.00 0.00 H new ATOM 0 HA ASP A 18 4.954 -3.082 5.348 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.970 -5.083 6.474 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.269 -4.887 6.845 1.00 0.00 H new ATOM 248 N SER A 19 5.750 -5.300 3.036 1.00 0.00 N ATOM 249 CA SER A 19 6.742 -5.609 1.963 1.00 0.00 C ATOM 250 C SER A 19 6.843 -4.407 1.025 1.00 0.00 C ATOM 251 O SER A 19 7.879 -4.165 0.430 1.00 0.00 O ATOM 252 CB SER A 19 6.276 -6.838 1.179 1.00 0.00 C ATOM 253 OG SER A 19 7.402 -7.644 0.858 1.00 0.00 O ATOM 0 H SER A 19 4.936 -5.914 3.052 1.00 0.00 H new ATOM 0 HA SER A 19 7.717 -5.815 2.404 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.561 -7.411 1.769 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.763 -6.530 0.268 1.00 0.00 H new ATOM 0 HG SER A 19 8.194 -7.075 0.760 1.00 0.00 H new ATOM 259 N CYS A 20 5.766 -3.659 0.902 1.00 0.00 N ATOM 260 CA CYS A 20 5.756 -2.458 0.020 1.00 0.00 C ATOM 261 C CYS A 20 6.562 -1.337 0.671 1.00 0.00 C ATOM 262 O CYS A 20 7.289 -0.625 0.000 1.00 0.00 O ATOM 263 CB CYS A 20 4.318 -2.002 -0.202 1.00 0.00 C ATOM 264 SG CYS A 20 3.539 -3.001 -1.505 1.00 0.00 S ATOM 0 H CYS A 20 4.886 -3.839 1.385 1.00 0.00 H new ATOM 0 HA CYS A 20 6.206 -2.708 -0.941 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.752 -2.094 0.725 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.302 -0.949 -0.482 1.00 0.00 H new ATOM 269 N ARG A 21 6.431 -1.179 1.973 1.00 0.00 N ATOM 270 CA ARG A 21 7.177 -0.103 2.694 1.00 0.00 C ATOM 271 C ARG A 21 8.703 -0.338 2.530 1.00 0.00 C ATOM 272 O ARG A 21 9.445 0.571 2.132 1.00 0.00 O ATOM 273 CB ARG A 21 6.711 -0.070 4.187 1.00 0.00 C ATOM 274 CG ARG A 21 7.874 0.170 5.173 1.00 0.00 C ATOM 275 CD ARG A 21 8.548 1.510 4.859 1.00 0.00 C ATOM 276 NE ARG A 21 8.967 2.177 6.131 1.00 0.00 N ATOM 277 CZ ARG A 21 9.398 3.423 6.140 1.00 0.00 C ATOM 278 NH1 ARG A 21 9.243 4.208 5.100 1.00 0.00 N ATOM 279 NH2 ARG A 21 9.985 3.888 7.209 1.00 0.00 N ATOM 0 H ARG A 21 5.834 -1.756 2.566 1.00 0.00 H new ATOM 0 HA ARG A 21 6.962 0.878 2.271 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.966 0.716 4.313 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.223 -1.014 4.431 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.501 0.171 6.197 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.600 -0.640 5.098 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.415 1.350 4.219 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.861 2.153 4.310 1.00 0.00 H new ATOM 0 HE ARG A 21 8.918 1.658 7.008 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.781 3.858 4.261 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.585 5.169 5.131 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.106 3.289 8.026 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.323 4.850 7.228 1.00 0.00 H new ATOM 293 N TRP A 22 9.178 -1.542 2.824 1.00 0.00 N ATOM 294 CA TRP A 22 10.648 -1.811 2.691 1.00 0.00 C ATOM 295 C TRP A 22 11.040 -1.823 1.210 1.00 0.00 C ATOM 296 O TRP A 22 12.170 -1.503 0.857 1.00 0.00 O ATOM 297 CB TRP A 22 11.049 -3.133 3.351 1.00 0.00 C ATOM 298 CG TRP A 22 11.073 -2.930 4.820 1.00 0.00 C ATOM 299 CD1 TRP A 22 10.361 -3.612 5.722 1.00 0.00 C ATOM 300 CD2 TRP A 22 11.853 -1.974 5.549 1.00 0.00 C ATOM 301 NE1 TRP A 22 10.651 -3.117 6.988 1.00 0.00 N ATOM 302 CE2 TRP A 22 11.579 -2.095 6.923 1.00 0.00 C ATOM 303 CE3 TRP A 22 12.760 -1.024 5.124 1.00 0.00 C ATOM 304 CZ2 TRP A 22 12.206 -1.270 7.860 1.00 0.00 C ATOM 305 CZ3 TRP A 22 13.404 -0.187 6.048 1.00 0.00 C ATOM 306 CH2 TRP A 22 13.125 -0.310 7.420 1.00 0.00 C ATOM 0 H TRP A 22 8.616 -2.331 3.144 1.00 0.00 H new ATOM 0 HA TRP A 22 11.181 -1.012 3.207 1.00 0.00 H new ATOM 0 HB2 TRP A 22 10.341 -3.919 3.088 1.00 0.00 H new ATOM 0 HB3 TRP A 22 12.028 -3.453 2.996 1.00 0.00 H new ATOM 0 HD1 TRP A 22 9.673 -4.416 5.503 1.00 0.00 H new ATOM 0 HE1 TRP A 22 10.234 -3.463 7.852 1.00 0.00 H new ATOM 0 HE3 TRP A 22 12.976 -0.924 4.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 11.984 -1.372 8.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 14.114 0.551 5.705 1.00 0.00 H new ATOM 0 HH2 TRP A 22 13.618 0.334 8.133 1.00 0.00 H new ATOM 317 N TYR A 23 10.109 -2.178 0.342 1.00 0.00 N ATOM 318 CA TYR A 23 10.413 -2.204 -1.120 1.00 0.00 C ATOM 319 C TYR A 23 10.643 -0.775 -1.606 1.00 0.00 C ATOM 320 O TYR A 23 11.417 -0.563 -2.521 1.00 0.00 O ATOM 321 CB TYR A 23 9.273 -2.859 -1.901 1.00 0.00 C ATOM 322 CG TYR A 23 9.705 -3.087 -3.334 1.00 0.00 C ATOM 323 CD1 TYR A 23 10.920 -3.733 -3.613 1.00 0.00 C ATOM 324 CD2 TYR A 23 8.891 -2.653 -4.386 1.00 0.00 C ATOM 325 CE1 TYR A 23 11.315 -3.942 -4.938 1.00 0.00 C ATOM 326 CE2 TYR A 23 9.287 -2.862 -5.713 1.00 0.00 C ATOM 327 CZ TYR A 23 10.499 -3.506 -5.989 1.00 0.00 C ATOM 328 OH TYR A 23 10.889 -3.712 -7.297 1.00 0.00 O ATOM 0 H TYR A 23 9.157 -2.449 0.590 1.00 0.00 H new ATOM 0 HA TYR A 23 11.313 -2.796 -1.289 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.999 -3.807 -1.438 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.388 -2.223 -1.874 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.550 -4.069 -2.803 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.956 -2.156 -4.174 1.00 0.00 H new ATOM 0 HE1 TYR A 23 12.250 -4.440 -5.151 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.657 -2.526 -6.524 1.00 0.00 H new ATOM 0 HH TYR A 23 10.208 -3.350 -7.902 1.00 0.00 H new ATOM 338 N VAL A 24 10.007 0.209 -0.982 1.00 0.00 N ATOM 339 CA VAL A 24 10.247 1.629 -1.399 1.00 0.00 C ATOM 340 C VAL A 24 11.606 2.034 -0.859 1.00 0.00 C ATOM 341 O VAL A 24 12.363 2.682 -1.545 1.00 0.00 O ATOM 342 CB VAL A 24 9.204 2.606 -0.831 1.00 0.00 C ATOM 343 CG1 VAL A 24 9.576 4.053 -1.233 1.00 0.00 C ATOM 344 CG2 VAL A 24 7.818 2.264 -1.381 1.00 0.00 C ATOM 0 H VAL A 24 9.345 0.084 -0.216 1.00 0.00 H new ATOM 0 HA VAL A 24 10.185 1.678 -2.486 1.00 0.00 H new ATOM 0 HB VAL A 24 9.190 2.522 0.256 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.836 4.744 -0.830 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.559 4.300 -0.833 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.595 4.135 -2.320 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.084 2.960 -0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.829 2.341 -2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.553 1.247 -1.092 1.00 0.00 H new ATOM 354 N SER A 25 11.910 1.674 0.378 1.00 0.00 N ATOM 355 CA SER A 25 13.235 2.064 0.967 1.00 0.00 C ATOM 356 C SER A 25 14.380 1.585 0.050 1.00 0.00 C ATOM 357 O SER A 25 15.376 2.273 -0.121 1.00 0.00 O ATOM 358 CB SER A 25 13.396 1.435 2.351 1.00 0.00 C ATOM 359 OG SER A 25 13.524 0.027 2.219 1.00 0.00 O ATOM 0 H SER A 25 11.302 1.134 0.994 1.00 0.00 H new ATOM 0 HA SER A 25 13.274 3.150 1.057 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.274 1.846 2.849 1.00 0.00 H new ATOM 0 HB3 SER A 25 12.535 1.676 2.974 1.00 0.00 H new ATOM 0 HG SER A 25 12.838 -0.308 1.604 1.00 0.00 H new ATOM 365 N THR A 26 14.235 0.399 -0.516 1.00 0.00 N ATOM 366 CA THR A 26 15.303 -0.179 -1.408 1.00 0.00 C ATOM 367 C THR A 26 15.280 0.461 -2.813 1.00 0.00 C ATOM 368 O THR A 26 16.310 0.845 -3.335 1.00 0.00 O ATOM 369 CB THR A 26 15.076 -1.701 -1.519 1.00 0.00 C ATOM 370 OG1 THR A 26 15.223 -2.286 -0.233 1.00 0.00 O ATOM 371 CG2 THR A 26 16.089 -2.338 -2.481 1.00 0.00 C ATOM 0 H THR A 26 13.415 -0.196 -0.396 1.00 0.00 H new ATOM 0 HA THR A 26 16.279 0.032 -0.971 1.00 0.00 H new ATOM 0 HB THR A 26 14.072 -1.877 -1.906 1.00 0.00 H new ATOM 0 HG1 THR A 26 15.405 -1.584 0.427 1.00 0.00 H new ATOM 0 HG21 THR A 26 15.908 -3.411 -2.542 1.00 0.00 H new ATOM 0 HG22 THR A 26 15.979 -1.895 -3.471 1.00 0.00 H new ATOM 0 HG23 THR A 26 17.100 -2.161 -2.114 1.00 0.00 H new ATOM 379 N ARG A 27 14.127 0.542 -3.428 1.00 0.00 N ATOM 380 CA ARG A 27 14.016 1.120 -4.810 1.00 0.00 C ATOM 381 C ARG A 27 14.401 2.602 -4.819 1.00 0.00 C ATOM 382 O ARG A 27 14.766 3.142 -5.851 1.00 0.00 O ATOM 383 CB ARG A 27 12.575 0.976 -5.311 1.00 0.00 C ATOM 384 CG ARG A 27 12.206 -0.504 -5.409 1.00 0.00 C ATOM 385 CD ARG A 27 12.935 -1.142 -6.596 1.00 0.00 C ATOM 386 NE ARG A 27 12.311 -0.687 -7.871 1.00 0.00 N ATOM 387 CZ ARG A 27 12.816 -1.050 -9.023 1.00 0.00 C ATOM 388 NH1 ARG A 27 14.110 -1.183 -9.167 1.00 0.00 N ATOM 389 NH2 ARG A 27 12.026 -1.276 -10.037 1.00 0.00 N ATOM 0 H ARG A 27 13.243 0.228 -3.028 1.00 0.00 H new ATOM 0 HA ARG A 27 14.699 0.577 -5.462 1.00 0.00 H new ATOM 0 HB2 ARG A 27 11.892 1.486 -4.632 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.470 1.452 -6.286 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.475 -1.017 -4.486 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.128 -0.612 -5.531 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.990 -0.868 -6.578 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.887 -2.229 -6.524 1.00 0.00 H new ATOM 0 HE ARG A 27 11.485 -0.089 -7.846 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.732 -1.004 -8.379 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.496 -1.466 -10.067 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.017 -1.170 -9.931 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.418 -1.559 -10.935 1.00 0.00 H new ATOM 403 N THR A 28 14.271 3.263 -3.693 1.00 0.00 N ATOM 404 CA THR A 28 14.564 4.726 -3.614 1.00 0.00 C ATOM 405 C THR A 28 15.987 4.999 -3.089 1.00 0.00 C ATOM 406 O THR A 28 16.790 5.598 -3.788 1.00 0.00 O ATOM 407 CB THR A 28 13.509 5.379 -2.704 1.00 0.00 C ATOM 408 OG1 THR A 28 13.573 4.817 -1.403 1.00 0.00 O ATOM 409 CG2 THR A 28 12.122 5.136 -3.296 1.00 0.00 C ATOM 0 H THR A 28 13.970 2.842 -2.814 1.00 0.00 H new ATOM 0 HA THR A 28 14.517 5.156 -4.615 1.00 0.00 H new ATOM 0 HB THR A 28 13.703 6.450 -2.636 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.800 4.232 -1.261 1.00 0.00 H new ATOM 0 HG21 THR A 28 11.368 5.596 -2.657 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.070 5.575 -4.292 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.937 4.064 -3.362 1.00 0.00 H new ATOM 417 N CYS A 29 16.301 4.594 -1.869 1.00 0.00 N ATOM 418 CA CYS A 29 17.670 4.861 -1.298 1.00 0.00 C ATOM 419 C CYS A 29 18.567 3.626 -1.397 1.00 0.00 C ATOM 420 O CYS A 29 19.636 3.597 -0.806 1.00 0.00 O ATOM 421 CB CYS A 29 17.557 5.246 0.179 1.00 0.00 C ATOM 422 SG CYS A 29 16.119 6.305 0.459 1.00 0.00 S ATOM 0 H CYS A 29 15.668 4.091 -1.247 1.00 0.00 H new ATOM 0 HA CYS A 29 18.109 5.674 -1.876 1.00 0.00 H new ATOM 0 HB2 CYS A 29 17.476 4.346 0.789 1.00 0.00 H new ATOM 0 HB3 CYS A 29 18.463 5.764 0.495 1.00 0.00 H new ATOM 427 N GLY A 30 18.138 2.606 -2.099 1.00 0.00 N ATOM 428 CA GLY A 30 18.959 1.349 -2.197 1.00 0.00 C ATOM 429 C GLY A 30 19.217 0.806 -0.778 1.00 0.00 C ATOM 430 O GLY A 30 20.200 0.123 -0.539 1.00 0.00 O ATOM 0 H GLY A 30 17.255 2.585 -2.610 1.00 0.00 H new ATOM 0 HA2 GLY A 30 18.436 0.604 -2.796 1.00 0.00 H new ATOM 0 HA3 GLY A 30 19.904 1.555 -2.699 1.00 0.00 H new ATOM 434 N VAL A 31 18.335 1.122 0.158 1.00 0.00 N ATOM 435 CA VAL A 31 18.496 0.659 1.576 1.00 0.00 C ATOM 436 C VAL A 31 17.347 -0.289 1.940 1.00 0.00 C ATOM 437 O VAL A 31 16.349 -0.356 1.241 1.00 0.00 O ATOM 438 CB VAL A 31 18.468 1.880 2.506 1.00 0.00 C ATOM 439 CG1 VAL A 31 18.746 1.441 3.946 1.00 0.00 C ATOM 440 CG2 VAL A 31 19.534 2.895 2.063 1.00 0.00 C ATOM 0 H VAL A 31 17.503 1.688 -0.010 1.00 0.00 H new ATOM 0 HA VAL A 31 19.444 0.133 1.686 1.00 0.00 H new ATOM 0 HB VAL A 31 17.483 2.345 2.455 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.725 2.311 4.602 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.984 0.729 4.263 1.00 0.00 H new ATOM 0 HG13 VAL A 31 19.727 0.970 4.000 1.00 0.00 H new ATOM 0 HG21 VAL A 31 19.511 3.760 2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 31 20.519 2.431 2.107 1.00 0.00 H new ATOM 0 HG23 VAL A 31 19.329 3.215 1.041 1.00 0.00 H new ATOM 450 N GLY A 32 17.492 -1.030 3.023 1.00 0.00 N ATOM 451 CA GLY A 32 16.430 -1.996 3.450 1.00 0.00 C ATOM 452 C GLY A 32 17.096 -3.354 3.781 1.00 0.00 C ATOM 453 O GLY A 32 18.302 -3.468 3.617 1.00 0.00 O ATOM 0 H GLY A 32 18.311 -1.002 3.631 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.900 -1.613 4.322 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.692 -2.121 2.657 1.00 0.00 H new ATOM 457 N PRO A 33 16.336 -4.371 4.223 1.00 0.00 N ATOM 458 CA PRO A 33 16.944 -5.691 4.533 1.00 0.00 C ATOM 459 C PRO A 33 17.477 -6.335 3.244 1.00 0.00 C ATOM 460 O PRO A 33 17.283 -5.798 2.163 1.00 0.00 O ATOM 461 CB PRO A 33 15.796 -6.489 5.175 1.00 0.00 C ATOM 462 CG PRO A 33 14.493 -5.808 4.726 1.00 0.00 C ATOM 463 CD PRO A 33 14.854 -4.339 4.445 1.00 0.00 C ATOM 0 HA PRO A 33 17.803 -5.638 5.202 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.820 -7.531 4.855 1.00 0.00 H new ATOM 0 HB3 PRO A 33 15.881 -6.487 6.262 1.00 0.00 H new ATOM 0 HG2 PRO A 33 14.090 -6.288 3.834 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.729 -5.880 5.500 1.00 0.00 H new ATOM 0 HD2 PRO A 33 14.327 -3.958 3.571 1.00 0.00 H new ATOM 0 HD3 PRO A 33 14.589 -3.695 5.283 1.00 0.00 H new ATOM 471 N ARG A 34 18.169 -7.457 3.349 1.00 0.00 N ATOM 472 CA ARG A 34 18.744 -8.109 2.132 1.00 0.00 C ATOM 473 C ARG A 34 17.754 -9.140 1.576 1.00 0.00 C ATOM 474 O ARG A 34 17.883 -10.340 1.781 1.00 0.00 O ATOM 475 CB ARG A 34 20.072 -8.788 2.495 1.00 0.00 C ATOM 476 CG ARG A 34 21.129 -7.724 2.800 1.00 0.00 C ATOM 477 CD ARG A 34 22.388 -8.389 3.370 1.00 0.00 C ATOM 478 NE ARG A 34 22.732 -7.763 4.676 1.00 0.00 N ATOM 479 CZ ARG A 34 23.981 -7.568 4.996 1.00 0.00 C ATOM 480 NH1 ARG A 34 24.838 -8.548 4.900 1.00 0.00 N ATOM 481 NH2 ARG A 34 24.375 -6.394 5.409 1.00 0.00 N ATOM 0 H ARG A 34 18.356 -7.942 4.227 1.00 0.00 H new ATOM 0 HA ARG A 34 18.927 -7.354 1.367 1.00 0.00 H new ATOM 0 HB2 ARG A 34 19.935 -9.437 3.360 1.00 0.00 H new ATOM 0 HB3 ARG A 34 20.405 -9.420 1.672 1.00 0.00 H new ATOM 0 HG2 ARG A 34 21.377 -7.174 1.892 1.00 0.00 H new ATOM 0 HG3 ARG A 34 20.734 -7.000 3.513 1.00 0.00 H new ATOM 0 HD2 ARG A 34 22.220 -9.458 3.500 1.00 0.00 H new ATOM 0 HD3 ARG A 34 23.218 -8.279 2.672 1.00 0.00 H new ATOM 0 HE ARG A 34 21.991 -7.487 5.320 1.00 0.00 H new ATOM 0 HH11 ARG A 34 24.530 -9.465 4.575 1.00 0.00 H new ATOM 0 HH12 ARG A 34 25.815 -8.397 5.150 1.00 0.00 H new ATOM 0 HH21 ARG A 34 23.706 -5.628 5.482 1.00 0.00 H new ATOM 0 HH22 ARG A 34 25.352 -6.243 5.659 1.00 0.00 H new ATOM 495 N LEU A 35 16.773 -8.653 0.852 1.00 0.00 N ATOM 496 CA LEU A 35 15.746 -9.537 0.228 1.00 0.00 C ATOM 497 C LEU A 35 15.729 -9.241 -1.273 1.00 0.00 C ATOM 498 O LEU A 35 15.655 -8.091 -1.673 1.00 0.00 O ATOM 499 CB LEU A 35 14.366 -9.239 0.841 1.00 0.00 C ATOM 500 CG LEU A 35 13.762 -10.513 1.453 1.00 0.00 C ATOM 501 CD1 LEU A 35 13.558 -11.565 0.356 1.00 0.00 C ATOM 502 CD2 LEU A 35 14.693 -11.069 2.546 1.00 0.00 C ATOM 0 H LEU A 35 16.642 -7.659 0.666 1.00 0.00 H new ATOM 0 HA LEU A 35 15.981 -10.587 0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.461 -8.470 1.608 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.699 -8.845 0.075 1.00 0.00 H new ATOM 0 HG LEU A 35 12.799 -10.270 1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 35 13.130 -12.467 0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.881 -11.173 -0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 35 14.518 -11.804 -0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 35 14.255 -11.971 2.973 1.00 0.00 H new ATOM 0 HD22 LEU A 35 15.663 -11.307 2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.821 -10.322 3.330 1.00 0.00 H new ATOM 514 N ALA A 36 15.814 -10.264 -2.102 1.00 0.00 N ATOM 515 CA ALA A 36 15.823 -10.054 -3.589 1.00 0.00 C ATOM 516 C ALA A 36 14.628 -9.160 -3.998 1.00 0.00 C ATOM 517 O ALA A 36 13.515 -9.386 -3.555 1.00 0.00 O ATOM 518 CB ALA A 36 15.717 -11.408 -4.295 1.00 0.00 C ATOM 0 H ALA A 36 15.878 -11.239 -1.808 1.00 0.00 H new ATOM 0 HA ALA A 36 16.752 -9.564 -3.879 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.723 -11.257 -5.374 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.563 -12.034 -4.011 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.789 -11.899 -4.003 1.00 0.00 H new ATOM 524 N THR A 37 14.853 -8.141 -4.820 1.00 0.00 N ATOM 525 CA THR A 37 13.744 -7.219 -5.244 1.00 0.00 C ATOM 526 C THR A 37 12.561 -8.002 -5.808 1.00 0.00 C ATOM 527 O THR A 37 11.450 -7.812 -5.376 1.00 0.00 O ATOM 528 CB THR A 37 14.253 -6.235 -6.313 1.00 0.00 C ATOM 529 OG1 THR A 37 15.360 -6.793 -7.014 1.00 0.00 O ATOM 530 CG2 THR A 37 14.680 -4.927 -5.644 1.00 0.00 C ATOM 0 H THR A 37 15.766 -7.914 -5.213 1.00 0.00 H new ATOM 0 HA THR A 37 13.413 -6.670 -4.363 1.00 0.00 H new ATOM 0 HB THR A 37 13.448 -6.040 -7.022 1.00 0.00 H new ATOM 0 HG1 THR A 37 15.672 -6.157 -7.692 1.00 0.00 H new ATOM 0 HG21 THR A 37 15.040 -4.231 -6.402 1.00 0.00 H new ATOM 0 HG22 THR A 37 13.828 -4.489 -5.125 1.00 0.00 H new ATOM 0 HG23 THR A 37 15.477 -5.128 -4.928 1.00 0.00 H new ATOM 538 N GLN A 38 12.787 -8.854 -6.781 1.00 0.00 N ATOM 539 CA GLN A 38 11.660 -9.639 -7.403 1.00 0.00 C ATOM 540 C GLN A 38 10.805 -10.318 -6.321 1.00 0.00 C ATOM 541 O GLN A 38 9.595 -10.421 -6.459 1.00 0.00 O ATOM 542 CB GLN A 38 12.241 -10.702 -8.341 1.00 0.00 C ATOM 543 CG GLN A 38 11.107 -11.416 -9.082 1.00 0.00 C ATOM 544 CD GLN A 38 11.614 -12.756 -9.618 1.00 0.00 C ATOM 545 OE1 GLN A 38 11.588 -12.997 -10.809 1.00 0.00 O ATOM 546 NE2 GLN A 38 12.077 -13.645 -8.784 1.00 0.00 N ATOM 0 H GLN A 38 13.708 -9.044 -7.176 1.00 0.00 H new ATOM 0 HA GLN A 38 11.025 -8.954 -7.965 1.00 0.00 H new ATOM 0 HB2 GLN A 38 12.919 -10.237 -9.057 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.826 -11.423 -7.770 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.263 -11.576 -8.411 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.747 -10.796 -9.903 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.099 -13.444 -7.784 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.417 -14.542 -9.131 1.00 0.00 H new ATOM 555 N GLU A 39 11.428 -10.771 -5.256 1.00 0.00 N ATOM 556 CA GLU A 39 10.676 -11.446 -4.152 1.00 0.00 C ATOM 557 C GLU A 39 9.843 -10.405 -3.402 1.00 0.00 C ATOM 558 O GLU A 39 8.724 -10.672 -3.001 1.00 0.00 O ATOM 559 CB GLU A 39 11.663 -12.109 -3.188 1.00 0.00 C ATOM 560 CG GLU A 39 12.259 -13.357 -3.846 1.00 0.00 C ATOM 561 CD GLU A 39 12.876 -14.257 -2.773 1.00 0.00 C ATOM 562 OE1 GLU A 39 12.136 -14.747 -1.938 1.00 0.00 O ATOM 563 OE2 GLU A 39 14.080 -14.445 -2.807 1.00 0.00 O ATOM 0 H GLU A 39 12.434 -10.700 -5.105 1.00 0.00 H new ATOM 0 HA GLU A 39 10.018 -12.208 -4.569 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.456 -11.409 -2.925 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.157 -12.380 -2.262 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.485 -13.899 -4.389 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.017 -13.070 -4.574 1.00 0.00 H new ATOM 570 N MET A 40 10.393 -9.225 -3.216 1.00 0.00 N ATOM 571 CA MET A 40 9.671 -8.132 -2.494 1.00 0.00 C ATOM 572 C MET A 40 8.414 -7.768 -3.279 1.00 0.00 C ATOM 573 O MET A 40 7.306 -7.826 -2.767 1.00 0.00 O ATOM 574 CB MET A 40 10.575 -6.907 -2.425 1.00 0.00 C ATOM 575 CG MET A 40 10.133 -6.011 -1.269 1.00 0.00 C ATOM 576 SD MET A 40 10.646 -6.755 0.299 1.00 0.00 S ATOM 577 CE MET A 40 12.365 -6.187 0.265 1.00 0.00 C ATOM 0 H MET A 40 11.327 -8.973 -3.540 1.00 0.00 H new ATOM 0 HA MET A 40 9.405 -8.461 -1.489 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.611 -7.214 -2.285 1.00 0.00 H new ATOM 0 HB3 MET A 40 10.530 -6.356 -3.364 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.573 -5.019 -1.375 1.00 0.00 H new ATOM 0 HG3 MET A 40 9.051 -5.883 -1.287 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.827 -6.367 1.236 1.00 0.00 H new ATOM 0 HE2 MET A 40 12.913 -6.732 -0.504 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.391 -5.120 0.043 1.00 0.00 H new ATOM 587 N LYS A 41 8.599 -7.387 -4.525 1.00 0.00 N ATOM 588 CA LYS A 41 7.448 -7.000 -5.405 1.00 0.00 C ATOM 589 C LYS A 41 6.430 -8.143 -5.463 1.00 0.00 C ATOM 590 O LYS A 41 5.232 -7.909 -5.513 1.00 0.00 O ATOM 591 CB LYS A 41 7.959 -6.706 -6.819 1.00 0.00 C ATOM 592 CG LYS A 41 6.813 -6.146 -7.664 1.00 0.00 C ATOM 593 CD LYS A 41 7.281 -5.958 -9.109 1.00 0.00 C ATOM 594 CE LYS A 41 6.529 -4.783 -9.738 1.00 0.00 C ATOM 595 NZ LYS A 41 6.754 -4.779 -11.211 1.00 0.00 N ATOM 0 H LYS A 41 9.513 -7.328 -4.974 1.00 0.00 H new ATOM 0 HA LYS A 41 6.970 -6.110 -4.995 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.781 -5.991 -6.780 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.350 -7.616 -7.273 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.960 -6.825 -7.633 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.477 -5.194 -7.253 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.355 -5.772 -9.134 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.102 -6.868 -9.682 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.463 -4.862 -9.523 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.873 -3.844 -9.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.243 -3.980 -11.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.771 -4.684 -11.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.405 -5.670 -11.618 1.00 0.00 H new ATOM 609 N ALA A 42 6.907 -9.373 -5.451 1.00 0.00 N ATOM 610 CA ALA A 42 5.988 -10.555 -5.496 1.00 0.00 C ATOM 611 C ALA A 42 5.136 -10.568 -4.227 1.00 0.00 C ATOM 612 O ALA A 42 3.963 -10.912 -4.256 1.00 0.00 O ATOM 613 CB ALA A 42 6.811 -11.843 -5.573 1.00 0.00 C ATOM 0 H ALA A 42 7.900 -9.605 -5.412 1.00 0.00 H new ATOM 0 HA ALA A 42 5.345 -10.489 -6.373 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.141 -12.702 -5.606 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.426 -11.828 -6.473 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.453 -11.917 -4.696 1.00 0.00 H new ATOM 619 N ARG A 43 5.732 -10.187 -3.118 1.00 0.00 N ATOM 620 CA ARG A 43 5.001 -10.155 -1.815 1.00 0.00 C ATOM 621 C ARG A 43 3.901 -9.095 -1.875 1.00 0.00 C ATOM 622 O ARG A 43 2.777 -9.342 -1.468 1.00 0.00 O ATOM 623 CB ARG A 43 5.980 -9.811 -0.686 1.00 0.00 C ATOM 624 CG ARG A 43 6.426 -11.096 0.012 1.00 0.00 C ATOM 625 CD ARG A 43 7.709 -11.609 -0.638 1.00 0.00 C ATOM 626 NE ARG A 43 8.337 -12.632 0.243 1.00 0.00 N ATOM 627 CZ ARG A 43 8.987 -12.260 1.313 1.00 0.00 C ATOM 628 NH1 ARG A 43 8.357 -12.126 2.447 1.00 0.00 N ATOM 629 NH2 ARG A 43 10.269 -12.023 1.245 1.00 0.00 N ATOM 0 H ARG A 43 6.707 -9.894 -3.064 1.00 0.00 H new ATOM 0 HA ARG A 43 4.556 -11.132 -1.624 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.845 -9.284 -1.089 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.504 -9.142 0.031 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.593 -10.907 1.072 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.643 -11.851 -0.058 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.487 -12.041 -1.614 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.400 -10.783 -0.804 1.00 0.00 H new ATOM 0 HE ARG A 43 8.260 -13.622 0.011 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.355 -12.312 2.499 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.866 -11.835 3.282 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.761 -12.128 0.358 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.779 -11.732 2.079 1.00 0.00 H new ATOM 643 N CYS A 44 4.224 -7.917 -2.377 1.00 0.00 N ATOM 644 CA CYS A 44 3.206 -6.821 -2.467 1.00 0.00 C ATOM 645 C CYS A 44 2.054 -7.215 -3.390 1.00 0.00 C ATOM 646 O CYS A 44 0.925 -6.833 -3.151 1.00 0.00 O ATOM 647 CB CYS A 44 3.818 -5.557 -3.028 1.00 0.00 C ATOM 648 SG CYS A 44 4.664 -4.672 -1.712 1.00 0.00 S ATOM 0 H CYS A 44 5.150 -7.673 -2.727 1.00 0.00 H new ATOM 0 HA CYS A 44 2.841 -6.651 -1.454 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.519 -5.802 -3.826 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.043 -4.927 -3.466 1.00 0.00 H new ATOM 653 N CYS A 45 2.336 -7.949 -4.455 1.00 0.00 N ATOM 654 CA CYS A 45 1.255 -8.351 -5.413 1.00 0.00 C ATOM 655 C CYS A 45 0.419 -9.465 -4.800 1.00 0.00 C ATOM 656 O CYS A 45 -0.759 -9.583 -5.096 1.00 0.00 O ATOM 657 CB CYS A 45 1.869 -8.821 -6.735 1.00 0.00 C ATOM 658 SG CYS A 45 2.306 -7.405 -7.802 1.00 0.00 S ATOM 0 H CYS A 45 3.269 -8.283 -4.696 1.00 0.00 H new ATOM 0 HA CYS A 45 0.616 -7.491 -5.612 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.760 -9.416 -6.534 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.164 -9.468 -7.256 1.00 0.00 H new ATOM 663 N ARG A 46 1.009 -10.265 -3.939 1.00 0.00 N ATOM 664 CA ARG A 46 0.239 -11.358 -3.282 1.00 0.00 C ATOM 665 C ARG A 46 -0.715 -10.714 -2.279 1.00 0.00 C ATOM 666 O ARG A 46 -1.833 -11.173 -2.090 1.00 0.00 O ATOM 667 CB ARG A 46 1.195 -12.307 -2.555 1.00 0.00 C ATOM 668 CG ARG A 46 0.520 -13.671 -2.358 1.00 0.00 C ATOM 669 CD ARG A 46 1.478 -14.790 -2.774 1.00 0.00 C ATOM 670 NE ARG A 46 2.098 -15.387 -1.559 1.00 0.00 N ATOM 671 CZ ARG A 46 2.097 -16.680 -1.396 1.00 0.00 C ATOM 672 NH1 ARG A 46 0.993 -17.296 -1.072 1.00 0.00 N ATOM 673 NH2 ARG A 46 3.200 -17.358 -1.560 1.00 0.00 N ATOM 0 H ARG A 46 1.990 -10.203 -3.667 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.316 -11.933 -4.024 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.113 -12.425 -3.130 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.476 -11.887 -1.589 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.231 -13.797 -1.314 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.394 -13.724 -2.950 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.940 -15.555 -3.334 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.251 -14.396 -3.434 1.00 0.00 H new ATOM 0 HE ARG A 46 2.523 -14.784 -0.855 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.131 -16.765 -0.946 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.992 -18.308 -0.944 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.062 -16.876 -1.815 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.200 -18.370 -1.433 1.00 0.00 H new ATOM 687 N GLN A 47 -0.280 -9.634 -1.654 1.00 0.00 N ATOM 688 CA GLN A 47 -1.152 -8.917 -0.665 1.00 0.00 C ATOM 689 C GLN A 47 -2.179 -8.053 -1.414 1.00 0.00 C ATOM 690 O GLN A 47 -3.259 -7.785 -0.916 1.00 0.00 O ATOM 691 CB GLN A 47 -0.289 -8.017 0.228 1.00 0.00 C ATOM 692 CG GLN A 47 0.915 -8.804 0.769 1.00 0.00 C ATOM 693 CD GLN A 47 0.988 -8.667 2.293 1.00 0.00 C ATOM 694 OE1 GLN A 47 0.035 -8.959 2.986 1.00 0.00 O ATOM 695 NE2 GLN A 47 2.087 -8.231 2.846 1.00 0.00 N ATOM 0 H GLN A 47 0.643 -9.222 -1.790 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.672 -9.651 -0.049 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.057 -7.153 -0.340 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.885 -7.635 1.057 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.826 -9.855 0.494 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.835 -8.433 0.318 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.888 -7.986 2.264 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.145 -8.136 3.860 1.00 0.00 H new ATOM 704 N LEU A 48 -1.825 -7.613 -2.601 1.00 0.00 N ATOM 705 CA LEU A 48 -2.715 -6.747 -3.425 1.00 0.00 C ATOM 706 C LEU A 48 -3.867 -7.587 -3.978 1.00 0.00 C ATOM 707 O LEU A 48 -4.986 -7.115 -4.083 1.00 0.00 O ATOM 708 CB LEU A 48 -1.863 -6.168 -4.570 1.00 0.00 C ATOM 709 CG LEU A 48 -2.487 -4.897 -5.169 1.00 0.00 C ATOM 710 CD1 LEU A 48 -3.776 -5.244 -5.899 1.00 0.00 C ATOM 711 CD2 LEU A 48 -2.776 -3.868 -4.069 1.00 0.00 C ATOM 0 H LEU A 48 -0.930 -7.828 -3.040 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.141 -5.937 -2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.864 -5.940 -4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.749 -6.919 -5.352 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.778 -4.465 -5.875 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.211 -4.338 -6.320 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.561 -5.950 -6.701 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.481 -5.693 -5.199 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.217 -2.975 -4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.470 -4.295 -3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.846 -3.602 -3.567 1.00 0.00 H new ATOM 723 N GLU A 49 -3.596 -8.831 -4.308 1.00 0.00 N ATOM 724 CA GLU A 49 -4.662 -9.738 -4.834 1.00 0.00 C ATOM 725 C GLU A 49 -5.513 -10.227 -3.660 1.00 0.00 C ATOM 726 O GLU A 49 -6.728 -10.119 -3.683 1.00 0.00 O ATOM 727 CB GLU A 49 -4.018 -10.932 -5.552 1.00 0.00 C ATOM 728 CG GLU A 49 -5.108 -11.840 -6.129 1.00 0.00 C ATOM 729 CD GLU A 49 -5.410 -12.970 -5.142 1.00 0.00 C ATOM 730 OE1 GLU A 49 -4.506 -13.733 -4.850 1.00 0.00 O ATOM 731 OE2 GLU A 49 -6.540 -13.051 -4.692 1.00 0.00 O ATOM 0 H GLU A 49 -2.672 -9.257 -4.233 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.291 -9.202 -5.545 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.366 -10.579 -6.351 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.395 -11.494 -4.856 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.012 -11.262 -6.323 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.783 -12.254 -7.083 1.00 0.00 H new ATOM 738 N ALA A 50 -4.873 -10.749 -2.624 1.00 0.00 N ATOM 739 CA ALA A 50 -5.622 -11.239 -1.414 1.00 0.00 C ATOM 740 C ALA A 50 -6.527 -10.111 -0.903 1.00 0.00 C ATOM 741 O ALA A 50 -7.617 -10.351 -0.415 1.00 0.00 O ATOM 742 CB ALA A 50 -4.625 -11.646 -0.323 1.00 0.00 C ATOM 0 H ALA A 50 -3.860 -10.855 -2.569 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.230 -12.105 -1.676 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.169 -12.001 0.553 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.981 -12.442 -0.697 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.015 -10.785 -0.048 1.00 0.00 H new ATOM 748 N ILE A 51 -6.071 -8.887 -1.051 1.00 0.00 N ATOM 749 CA ILE A 51 -6.861 -7.693 -0.631 1.00 0.00 C ATOM 750 C ILE A 51 -7.763 -7.288 -1.818 1.00 0.00 C ATOM 751 O ILE A 51 -7.253 -6.760 -2.791 1.00 0.00 O ATOM 752 CB ILE A 51 -5.907 -6.549 -0.262 1.00 0.00 C ATOM 753 CG1 ILE A 51 -5.081 -6.965 0.958 1.00 0.00 C ATOM 754 CG2 ILE A 51 -6.703 -5.288 0.086 1.00 0.00 C ATOM 755 CD1 ILE A 51 -3.937 -5.972 1.167 1.00 0.00 C ATOM 0 H ILE A 51 -5.161 -8.666 -1.456 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.473 -7.917 0.243 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.255 -6.339 -1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.714 -6.997 1.845 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.682 -7.969 0.814 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.015 -4.484 0.346 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.304 -4.988 -0.773 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.358 -5.493 0.933 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.351 -6.270 2.036 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.298 -5.962 0.284 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.346 -4.975 1.330 1.00 0.00 H new ATOM 767 N PRO A 52 -9.063 -7.577 -1.744 1.00 0.00 N ATOM 768 CA PRO A 52 -9.993 -7.277 -2.854 1.00 0.00 C ATOM 769 C PRO A 52 -10.020 -5.777 -3.140 1.00 0.00 C ATOM 770 O PRO A 52 -9.789 -4.968 -2.260 1.00 0.00 O ATOM 771 CB PRO A 52 -11.343 -7.824 -2.371 1.00 0.00 C ATOM 772 CG PRO A 52 -11.231 -7.938 -0.839 1.00 0.00 C ATOM 773 CD PRO A 52 -9.734 -8.152 -0.551 1.00 0.00 C ATOM 0 HA PRO A 52 -9.703 -7.733 -3.801 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.158 -7.158 -2.654 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.554 -8.794 -2.820 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.600 -7.036 -0.350 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.826 -8.770 -0.463 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.426 -7.647 0.365 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.497 -9.209 -0.428 1.00 0.00 H new ATOM 781 N ALA A 53 -10.253 -5.421 -4.384 1.00 0.00 N ATOM 782 CA ALA A 53 -10.254 -3.984 -4.799 1.00 0.00 C ATOM 783 C ALA A 53 -11.313 -3.181 -4.043 1.00 0.00 C ATOM 784 O ALA A 53 -11.207 -1.967 -3.965 1.00 0.00 O ATOM 785 CB ALA A 53 -10.515 -3.891 -6.293 1.00 0.00 C ATOM 0 H ALA A 53 -10.445 -6.079 -5.139 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.278 -3.561 -4.560 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.516 -2.844 -6.598 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.733 -4.425 -6.833 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.483 -4.337 -6.522 1.00 0.00 H new ATOM 791 N TYR A 54 -12.319 -3.831 -3.471 1.00 0.00 N ATOM 792 CA TYR A 54 -13.375 -3.084 -2.687 1.00 0.00 C ATOM 793 C TYR A 54 -12.662 -2.149 -1.696 1.00 0.00 C ATOM 794 O TYR A 54 -13.118 -1.057 -1.402 1.00 0.00 O ATOM 795 CB TYR A 54 -14.254 -4.084 -1.919 1.00 0.00 C ATOM 796 CG TYR A 54 -15.658 -4.073 -2.480 1.00 0.00 C ATOM 797 CD1 TYR A 54 -16.528 -3.018 -2.174 1.00 0.00 C ATOM 798 CD2 TYR A 54 -16.091 -5.119 -3.302 1.00 0.00 C ATOM 799 CE1 TYR A 54 -17.828 -3.010 -2.692 1.00 0.00 C ATOM 800 CE2 TYR A 54 -17.391 -5.112 -3.820 1.00 0.00 C ATOM 801 CZ TYR A 54 -18.260 -4.057 -3.515 1.00 0.00 C ATOM 802 OH TYR A 54 -19.542 -4.050 -4.025 1.00 0.00 O ATOM 0 H TYR A 54 -12.452 -4.841 -3.514 1.00 0.00 H new ATOM 0 HA TYR A 54 -14.009 -2.507 -3.360 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -13.831 -5.086 -1.994 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -14.274 -3.825 -0.860 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -16.195 -2.211 -1.538 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -15.421 -5.933 -3.537 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -18.498 -2.196 -2.457 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -17.724 -5.920 -4.455 1.00 0.00 H new ATOM 0 HH TYR A 54 -19.679 -4.848 -4.577 1.00 0.00 H new ATOM 812 N CYS A 55 -11.521 -2.594 -1.226 1.00 0.00 N ATOM 813 CA CYS A 55 -10.683 -1.795 -0.287 1.00 0.00 C ATOM 814 C CYS A 55 -9.311 -1.532 -0.940 1.00 0.00 C ATOM 815 O CYS A 55 -9.015 -0.412 -1.311 1.00 0.00 O ATOM 816 CB CYS A 55 -10.500 -2.569 1.021 1.00 0.00 C ATOM 817 SG CYS A 55 -12.122 -2.965 1.716 1.00 0.00 S ATOM 0 H CYS A 55 -11.128 -3.505 -1.464 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.171 -0.845 -0.070 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -9.937 -3.484 0.839 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -9.923 -1.975 1.730 1.00 0.00 H new ATOM 0 HG CYS A 55 -11.969 -3.624 2.826 1.00 0.00 H new ATOM 822 N ARG A 56 -8.484 -2.567 -1.086 1.00 0.00 N ATOM 823 CA ARG A 56 -7.114 -2.439 -1.715 1.00 0.00 C ATOM 824 C ARG A 56 -6.431 -1.113 -1.307 1.00 0.00 C ATOM 825 O ARG A 56 -5.764 -1.062 -0.289 1.00 0.00 O ATOM 826 CB ARG A 56 -7.239 -2.543 -3.243 1.00 0.00 C ATOM 827 CG ARG A 56 -6.995 -3.989 -3.685 1.00 0.00 C ATOM 828 CD ARG A 56 -6.831 -4.041 -5.207 1.00 0.00 C ATOM 829 NE ARG A 56 -6.912 -5.456 -5.673 1.00 0.00 N ATOM 830 CZ ARG A 56 -7.170 -5.717 -6.923 1.00 0.00 C ATOM 831 NH1 ARG A 56 -6.424 -5.206 -7.862 1.00 0.00 N ATOM 832 NH2 ARG A 56 -8.176 -6.487 -7.234 1.00 0.00 N ATOM 0 H ARG A 56 -8.713 -3.515 -0.786 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.485 -3.252 -1.352 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.230 -2.219 -3.559 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.519 -1.880 -3.722 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.102 -4.382 -3.199 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.829 -4.620 -3.377 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.607 -3.445 -5.687 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.873 -3.608 -5.494 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.765 -6.219 -5.013 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.639 -4.602 -7.618 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.625 -5.410 -8.841 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.760 -6.885 -6.499 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.378 -6.692 -8.213 1.00 0.00 H new ATOM 846 N CYS A 57 -6.580 -0.057 -2.102 1.00 0.00 N ATOM 847 CA CYS A 57 -5.937 1.278 -1.785 1.00 0.00 C ATOM 848 C CYS A 57 -5.949 1.617 -0.270 1.00 0.00 C ATOM 849 O CYS A 57 -4.939 2.063 0.243 1.00 0.00 O ATOM 850 CB CYS A 57 -6.653 2.379 -2.576 1.00 0.00 C ATOM 851 SG CYS A 57 -6.513 2.016 -4.349 1.00 0.00 S ATOM 0 H CYS A 57 -7.125 -0.067 -2.964 1.00 0.00 H new ATOM 0 HA CYS A 57 -4.889 1.213 -2.077 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -7.702 2.432 -2.284 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -6.211 3.350 -2.354 1.00 0.00 H new ATOM 0 HG CYS A 57 -7.119 2.942 -5.031 1.00 0.00 H new ATOM 856 N GLU A 58 -7.065 1.432 0.445 1.00 0.00 N ATOM 857 CA GLU A 58 -7.125 1.755 1.920 1.00 0.00 C ATOM 858 C GLU A 58 -5.831 1.339 2.658 1.00 0.00 C ATOM 859 O GLU A 58 -5.287 2.124 3.407 1.00 0.00 O ATOM 860 CB GLU A 58 -8.322 1.027 2.549 1.00 0.00 C ATOM 861 CG GLU A 58 -9.058 1.966 3.520 1.00 0.00 C ATOM 862 CD GLU A 58 -10.482 2.225 3.019 1.00 0.00 C ATOM 863 OE1 GLU A 58 -11.193 1.261 2.791 1.00 0.00 O ATOM 864 OE2 GLU A 58 -10.837 3.383 2.875 1.00 0.00 O ATOM 0 H GLU A 58 -7.936 1.069 0.058 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.234 2.835 2.021 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.004 0.690 1.769 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.980 0.138 3.079 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.089 1.522 4.515 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.517 2.908 3.608 1.00 0.00 H new ATOM 871 N ALA A 59 -5.353 0.116 2.458 1.00 0.00 N ATOM 872 CA ALA A 59 -4.097 -0.374 3.144 1.00 0.00 C ATOM 873 C ALA A 59 -2.996 0.701 3.162 1.00 0.00 C ATOM 874 O ALA A 59 -2.405 0.977 4.198 1.00 0.00 O ATOM 875 CB ALA A 59 -3.573 -1.609 2.413 1.00 0.00 C ATOM 0 H ALA A 59 -5.788 -0.569 1.840 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.353 -0.614 4.176 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.668 -1.966 2.904 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.330 -2.393 2.434 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.347 -1.351 1.378 1.00 0.00 H new ATOM 881 N VAL A 60 -2.725 1.300 2.026 1.00 0.00 N ATOM 882 CA VAL A 60 -1.675 2.368 1.947 1.00 0.00 C ATOM 883 C VAL A 60 -2.036 3.497 2.921 1.00 0.00 C ATOM 884 O VAL A 60 -1.197 3.968 3.672 1.00 0.00 O ATOM 885 CB VAL A 60 -1.607 2.908 0.514 1.00 0.00 C ATOM 886 CG1 VAL A 60 -0.524 3.996 0.411 1.00 0.00 C ATOM 887 CG2 VAL A 60 -1.278 1.755 -0.445 1.00 0.00 C ATOM 0 H VAL A 60 -3.190 1.093 1.142 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.702 1.957 2.217 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.569 3.344 0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.483 4.373 -0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.764 4.814 1.091 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.444 3.573 0.680 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.228 2.134 -1.466 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.317 1.318 -0.173 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.055 0.993 -0.378 1.00 0.00 H new ATOM 897 N ARG A 61 -3.286 3.912 2.915 1.00 0.00 N ATOM 898 CA ARG A 61 -3.746 4.997 3.840 1.00 0.00 C ATOM 899 C ARG A 61 -3.539 4.552 5.295 1.00 0.00 C ATOM 900 O ARG A 61 -3.383 5.369 6.176 1.00 0.00 O ATOM 901 CB ARG A 61 -5.231 5.282 3.599 1.00 0.00 C ATOM 902 CG ARG A 61 -5.424 5.886 2.199 1.00 0.00 C ATOM 903 CD ARG A 61 -6.220 7.191 2.298 1.00 0.00 C ATOM 904 NE ARG A 61 -5.661 8.188 1.343 1.00 0.00 N ATOM 905 CZ ARG A 61 -5.355 9.387 1.756 1.00 0.00 C ATOM 906 NH1 ARG A 61 -4.725 9.548 2.888 1.00 0.00 N ATOM 907 NH2 ARG A 61 -5.681 10.427 1.038 1.00 0.00 N ATOM 0 H ARG A 61 -4.011 3.540 2.302 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.169 5.902 3.651 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.807 4.361 3.691 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.607 5.970 4.357 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.454 6.076 1.739 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.948 5.178 1.557 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.271 7.006 2.074 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.175 7.581 3.315 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.517 7.933 0.366 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.471 8.736 3.451 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.486 10.486 3.210 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.175 10.302 0.154 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.442 11.365 1.361 1.00 0.00 H new ATOM 921 N ILE A 62 -3.552 3.261 5.540 1.00 0.00 N ATOM 922 CA ILE A 62 -3.356 2.720 6.924 1.00 0.00 C ATOM 923 C ILE A 62 -1.870 2.755 7.286 1.00 0.00 C ATOM 924 O ILE A 62 -1.528 2.855 8.452 1.00 0.00 O ATOM 925 CB ILE A 62 -3.894 1.272 6.968 1.00 0.00 C ATOM 926 CG1 ILE A 62 -5.424 1.308 6.995 1.00 0.00 C ATOM 927 CG2 ILE A 62 -3.382 0.514 8.207 1.00 0.00 C ATOM 928 CD1 ILE A 62 -5.973 -0.091 6.706 1.00 0.00 C ATOM 0 H ILE A 62 -3.693 2.547 4.825 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.898 3.329 7.648 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.537 0.749 6.081 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.773 1.653 7.968 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.795 2.016 6.254 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.781 -0.500 8.204 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.293 0.475 8.186 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.709 1.030 9.110 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.063 -0.065 6.725 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.635 -0.419 5.723 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -5.613 -0.787 7.464 1.00 0.00 H new ATOM 940 N LEU A 63 -0.997 2.643 6.313 1.00 0.00 N ATOM 941 CA LEU A 63 0.462 2.654 6.620 1.00 0.00 C ATOM 942 C LEU A 63 0.928 4.080 6.877 1.00 0.00 C ATOM 943 O LEU A 63 1.713 4.321 7.777 1.00 0.00 O ATOM 944 CB LEU A 63 1.252 2.046 5.459 1.00 0.00 C ATOM 945 CG LEU A 63 2.733 1.916 5.850 1.00 0.00 C ATOM 946 CD1 LEU A 63 3.064 0.450 6.141 1.00 0.00 C ATOM 947 CD2 LEU A 63 3.615 2.413 4.699 1.00 0.00 C ATOM 0 H LEU A 63 -1.233 2.545 5.326 1.00 0.00 H new ATOM 0 HA LEU A 63 0.637 2.056 7.514 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.846 1.067 5.204 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.154 2.673 4.572 1.00 0.00 H new ATOM 0 HG LEU A 63 2.921 2.516 6.741 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.115 0.362 6.418 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.442 0.092 6.961 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.872 -0.150 5.251 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.664 2.320 4.978 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.422 1.815 3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.386 3.458 4.491 1.00 0.00 H new ATOM 959 N MET A 64 0.458 5.018 6.089 1.00 0.00 N ATOM 960 CA MET A 64 0.867 6.441 6.273 1.00 0.00 C ATOM 961 C MET A 64 0.095 7.071 7.440 1.00 0.00 C ATOM 962 O MET A 64 0.687 7.645 8.340 1.00 0.00 O ATOM 963 CB MET A 64 0.583 7.226 4.986 1.00 0.00 C ATOM 964 CG MET A 64 1.313 8.569 5.037 1.00 0.00 C ATOM 965 SD MET A 64 3.096 8.292 4.901 1.00 0.00 S ATOM 966 CE MET A 64 3.192 8.317 3.094 1.00 0.00 C ATOM 0 H MET A 64 -0.195 4.855 5.323 1.00 0.00 H new ATOM 0 HA MET A 64 1.933 6.476 6.497 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.912 6.654 4.118 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.489 7.387 4.874 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.971 9.212 4.226 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.084 9.084 5.970 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.099 8.836 2.785 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.212 7.295 2.717 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.322 8.835 2.691 1.00 0.00 H new ATOM 976 N ASP A 65 -1.223 6.975 7.417 1.00 0.00 N ATOM 977 CA ASP A 65 -2.061 7.576 8.511 1.00 0.00 C ATOM 978 C ASP A 65 -2.096 6.660 9.743 1.00 0.00 C ATOM 979 O ASP A 65 -2.372 7.123 10.839 1.00 0.00 O ATOM 980 CB ASP A 65 -3.496 7.920 8.029 1.00 0.00 C ATOM 981 CG ASP A 65 -3.463 9.250 7.275 1.00 0.00 C ATOM 982 OD1 ASP A 65 -3.103 10.244 7.882 1.00 0.00 O ATOM 983 OD2 ASP A 65 -3.796 9.253 6.103 1.00 0.00 O ATOM 0 H ASP A 65 -1.752 6.504 6.683 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.588 8.516 8.797 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.875 7.129 7.381 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.173 7.987 8.880 1.00 0.00 H new ATOM 988 N GLY A 66 -1.846 5.370 9.574 1.00 0.00 N ATOM 989 CA GLY A 66 -1.893 4.426 10.736 1.00 0.00 C ATOM 990 C GLY A 66 -3.340 3.962 10.951 1.00 0.00 C ATOM 991 O GLY A 66 -4.278 4.700 10.698 1.00 0.00 O ATOM 0 H GLY A 66 -1.613 4.939 8.679 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.247 3.568 10.549 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.519 4.917 11.634 1.00 0.00 H new ATOM 995 N VAL A 67 -3.514 2.741 11.408 1.00 0.00 N ATOM 996 CA VAL A 67 -4.888 2.178 11.649 1.00 0.00 C ATOM 997 C VAL A 67 -5.052 1.847 13.134 1.00 0.00 C ATOM 998 O VAL A 67 -4.082 1.685 13.853 1.00 0.00 O ATOM 999 CB VAL A 67 -5.089 0.916 10.802 1.00 0.00 C ATOM 1000 CG1 VAL A 67 -3.957 -0.075 11.083 1.00 0.00 C ATOM 1001 CG2 VAL A 67 -6.437 0.255 11.128 1.00 0.00 C ATOM 0 H VAL A 67 -2.751 2.101 11.628 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.637 2.916 11.363 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.082 1.199 9.749 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.101 -0.972 10.480 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.001 0.383 10.829 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.962 -0.343 12.140 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.561 -0.639 10.517 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.462 -0.020 12.182 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.246 0.954 10.916 1.00 0.00 H new ATOM 1011 N VAL A 68 -6.286 1.762 13.585 1.00 0.00 N ATOM 1012 CA VAL A 68 -6.560 1.457 15.020 1.00 0.00 C ATOM 1013 C VAL A 68 -7.279 0.108 15.127 1.00 0.00 C ATOM 1014 O VAL A 68 -7.881 -0.378 14.186 1.00 0.00 O ATOM 1015 CB VAL A 68 -7.411 2.579 15.646 1.00 0.00 C ATOM 1016 CG1 VAL A 68 -7.875 2.189 17.060 1.00 0.00 C ATOM 1017 CG2 VAL A 68 -6.559 3.843 15.743 1.00 0.00 C ATOM 0 H VAL A 68 -7.118 1.893 13.010 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.618 1.398 15.566 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.288 2.746 15.021 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.474 2.996 17.482 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.475 1.281 17.008 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.005 2.014 17.693 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.149 4.646 16.185 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.687 3.647 16.368 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.232 4.139 14.746 1.00 0.00 H new ATOM 1027 N THR A 69 -7.167 -0.489 16.285 1.00 0.00 N ATOM 1028 CA THR A 69 -7.767 -1.822 16.564 1.00 0.00 C ATOM 1029 C THR A 69 -8.805 -1.678 17.671 1.00 0.00 C ATOM 1030 O THR A 69 -8.818 -0.703 18.400 1.00 0.00 O ATOM 1031 CB THR A 69 -6.668 -2.798 17.005 1.00 0.00 C ATOM 1032 OG1 THR A 69 -5.896 -2.230 18.061 1.00 0.00 O ATOM 1033 CG2 THR A 69 -5.756 -3.101 15.816 1.00 0.00 C ATOM 0 H THR A 69 -6.664 -0.088 17.077 1.00 0.00 H new ATOM 0 HA THR A 69 -8.245 -2.208 15.664 1.00 0.00 H new ATOM 0 HB THR A 69 -7.132 -3.718 17.362 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.309 -1.534 17.699 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.974 -3.794 16.125 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.342 -3.549 15.013 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.302 -2.176 15.461 1.00 0.00 H new ATOM 1041 N SER A 70 -9.691 -2.633 17.756 1.00 0.00 N ATOM 1042 CA SER A 70 -10.784 -2.609 18.776 1.00 0.00 C ATOM 1043 C SER A 70 -10.189 -2.686 20.177 1.00 0.00 C ATOM 1044 O SER A 70 -10.709 -2.105 21.115 1.00 0.00 O ATOM 1045 CB SER A 70 -11.711 -3.799 18.542 1.00 0.00 C ATOM 1046 OG SER A 70 -12.794 -3.743 19.461 1.00 0.00 O ATOM 0 H SER A 70 -9.705 -3.450 17.146 1.00 0.00 H new ATOM 0 HA SER A 70 -11.348 -1.681 18.684 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.087 -3.785 17.519 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.162 -4.732 18.667 1.00 0.00 H new ATOM 0 HG SER A 70 -13.391 -4.506 19.310 1.00 0.00 H new ATOM 1052 N SER A 71 -9.102 -3.396 20.305 1.00 0.00 N ATOM 1053 CA SER A 71 -8.419 -3.541 21.630 1.00 0.00 C ATOM 1054 C SER A 71 -7.919 -2.172 22.110 1.00 0.00 C ATOM 1055 O SER A 71 -7.619 -1.999 23.280 1.00 0.00 O ATOM 1056 CB SER A 71 -7.229 -4.492 21.491 1.00 0.00 C ATOM 1057 OG SER A 71 -6.532 -4.203 20.287 1.00 0.00 O ATOM 0 H SER A 71 -8.648 -3.891 19.537 1.00 0.00 H new ATOM 0 HA SER A 71 -9.127 -3.943 22.355 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.561 -4.384 22.346 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.574 -5.526 21.485 1.00 0.00 H new ATOM 0 HG SER A 71 -5.768 -4.810 20.197 1.00 0.00 H new ATOM 1063 N GLY A 72 -7.818 -1.210 21.211 1.00 0.00 N ATOM 1064 CA GLY A 72 -7.325 0.151 21.589 1.00 0.00 C ATOM 1065 C GLY A 72 -5.848 0.301 21.183 1.00 0.00 C ATOM 1066 O GLY A 72 -5.211 1.279 21.538 1.00 0.00 O ATOM 0 H GLY A 72 -8.060 -1.317 20.226 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.926 0.915 21.097 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.434 0.302 22.663 1.00 0.00 H new ATOM 1070 N GLN A 73 -5.298 -0.662 20.447 1.00 0.00 N ATOM 1071 CA GLN A 73 -3.860 -0.573 20.025 1.00 0.00 C ATOM 1072 C GLN A 73 -3.774 0.028 18.618 1.00 0.00 C ATOM 1073 O GLN A 73 -4.713 -0.052 17.857 1.00 0.00 O ATOM 1074 CB GLN A 73 -3.245 -1.974 20.019 1.00 0.00 C ATOM 1075 CG GLN A 73 -3.291 -2.559 21.433 1.00 0.00 C ATOM 1076 CD GLN A 73 -2.355 -3.765 21.519 1.00 0.00 C ATOM 1077 OE1 GLN A 73 -1.217 -3.699 21.097 1.00 0.00 O ATOM 1078 NE2 GLN A 73 -2.787 -4.874 22.055 1.00 0.00 N ATOM 0 H GLN A 73 -5.789 -1.497 20.127 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.315 0.062 20.724 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.790 -2.619 19.330 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.215 -1.929 19.666 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.995 -1.803 22.160 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.309 -2.858 21.681 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.742 -4.931 22.410 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.170 -5.684 22.119 1.00 0.00 H new ATOM 1087 N HIS A 74 -2.651 0.620 18.271 1.00 0.00 N ATOM 1088 CA HIS A 74 -2.492 1.224 16.915 1.00 0.00 C ATOM 1089 C HIS A 74 -1.387 0.477 16.179 1.00 0.00 C ATOM 1090 O HIS A 74 -0.506 -0.098 16.800 1.00 0.00 O ATOM 1091 CB HIS A 74 -2.071 2.681 17.051 1.00 0.00 C ATOM 1092 CG HIS A 74 -3.254 3.552 17.378 1.00 0.00 C ATOM 1093 ND1 HIS A 74 -3.392 4.826 16.848 1.00 0.00 N ATOM 1094 CD2 HIS A 74 -4.352 3.363 18.182 1.00 0.00 C ATOM 1095 CE1 HIS A 74 -4.531 5.349 17.337 1.00 0.00 C ATOM 1096 NE2 HIS A 74 -5.155 4.498 18.154 1.00 0.00 N ATOM 0 H HIS A 74 -1.835 0.708 18.877 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.435 1.159 16.373 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.318 2.775 17.833 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -1.611 3.019 16.123 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -4.560 2.468 18.750 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -4.896 6.337 17.098 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -6.033 4.648 18.651 1.00 0.00 H new ATOM 1104 N GLU A 75 -1.426 0.492 14.866 1.00 0.00 N ATOM 1105 CA GLU A 75 -0.380 -0.209 14.060 1.00 0.00 C ATOM 1106 C GLU A 75 -0.024 0.618 12.834 1.00 0.00 C ATOM 1107 O GLU A 75 -0.495 1.732 12.666 1.00 0.00 O ATOM 1108 CB GLU A 75 -0.876 -1.586 13.605 1.00 0.00 C ATOM 1109 CG GLU A 75 -1.454 -2.370 14.791 1.00 0.00 C ATOM 1110 CD GLU A 75 -0.986 -3.830 14.733 1.00 0.00 C ATOM 1111 OE1 GLU A 75 -1.002 -4.400 13.654 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -0.618 -4.353 15.772 1.00 0.00 O ATOM 0 H GLU A 75 -2.144 0.964 14.317 1.00 0.00 H new ATOM 0 HA GLU A 75 0.501 -0.336 14.689 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.638 -1.468 12.834 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.054 -2.145 13.158 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.135 -1.914 15.729 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.543 -2.327 14.770 1.00 0.00 H new ATOM 1119 N GLY A 76 0.822 0.073 11.985 1.00 0.00 N ATOM 1120 CA GLY A 76 1.258 0.796 10.751 1.00 0.00 C ATOM 1121 C GLY A 76 1.846 2.150 11.147 1.00 0.00 C ATOM 1122 O GLY A 76 2.456 2.284 12.198 1.00 0.00 O ATOM 0 H GLY A 76 1.231 -0.854 12.101 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.000 0.207 10.212 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.412 0.936 10.078 1.00 0.00 H new ATOM 1126 N ARG A 77 1.654 3.146 10.317 1.00 0.00 N ATOM 1127 CA ARG A 77 2.179 4.517 10.618 1.00 0.00 C ATOM 1128 C ARG A 77 3.702 4.470 10.848 1.00 0.00 C ATOM 1129 O ARG A 77 4.264 5.376 11.443 1.00 0.00 O ATOM 1130 CB ARG A 77 1.478 5.051 11.877 1.00 0.00 C ATOM 1131 CG ARG A 77 0.934 6.459 11.612 1.00 0.00 C ATOM 1132 CD ARG A 77 0.408 7.058 12.917 1.00 0.00 C ATOM 1133 NE ARG A 77 1.550 7.550 13.735 1.00 0.00 N ATOM 1134 CZ ARG A 77 1.433 7.640 15.031 1.00 0.00 C ATOM 1135 NH1 ARG A 77 0.384 8.216 15.553 1.00 0.00 N ATOM 1136 NH2 ARG A 77 2.364 7.155 15.807 1.00 0.00 N ATOM 0 H ARG A 77 1.150 3.068 9.434 1.00 0.00 H new ATOM 0 HA ARG A 77 1.979 5.175 9.773 1.00 0.00 H new ATOM 0 HB2 ARG A 77 0.664 4.384 12.161 1.00 0.00 H new ATOM 0 HB3 ARG A 77 2.178 5.073 12.712 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.720 7.092 11.200 1.00 0.00 H new ATOM 0 HG3 ARG A 77 0.136 6.418 10.871 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -0.279 7.877 12.703 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.154 6.308 13.473 1.00 0.00 H new ATOM 0 HE ARG A 77 2.424 7.817 13.282 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.344 8.595 14.947 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.292 8.286 16.566 1.00 0.00 H new ATOM 0 HH21 ARG A 77 3.184 6.705 15.400 1.00 0.00 H new ATOM 0 HH22 ARG A 77 2.271 7.226 16.820 1.00 0.00 H new ATOM 1150 N LEU A 78 4.369 3.426 10.378 1.00 0.00 N ATOM 1151 CA LEU A 78 5.849 3.313 10.562 1.00 0.00 C ATOM 1152 C LEU A 78 6.582 4.093 9.462 1.00 0.00 C ATOM 1153 O LEU A 78 7.768 4.353 9.585 1.00 0.00 O ATOM 1154 CB LEU A 78 6.263 1.836 10.509 1.00 0.00 C ATOM 1155 CG LEU A 78 6.056 1.199 11.885 1.00 0.00 C ATOM 1156 CD1 LEU A 78 5.630 -0.261 11.713 1.00 0.00 C ATOM 1157 CD2 LEU A 78 7.365 1.257 12.675 1.00 0.00 C ATOM 0 H LEU A 78 3.941 2.649 9.874 1.00 0.00 H new ATOM 0 HA LEU A 78 6.118 3.733 11.531 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.673 1.308 9.760 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.308 1.750 10.210 1.00 0.00 H new ATOM 0 HG LEU A 78 5.280 1.743 12.424 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.483 -0.715 12.693 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.698 -0.304 11.149 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.406 -0.805 11.174 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.219 0.804 13.655 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.140 0.713 12.135 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.670 2.296 12.798 1.00 0.00 H new ATOM 1169 N LEU A 79 5.890 4.477 8.396 1.00 0.00 N ATOM 1170 CA LEU A 79 6.545 5.247 7.298 1.00 0.00 C ATOM 1171 C LEU A 79 7.053 6.576 7.864 1.00 0.00 C ATOM 1172 O LEU A 79 6.326 7.556 7.930 1.00 0.00 O ATOM 1173 CB LEU A 79 5.529 5.498 6.180 1.00 0.00 C ATOM 1174 CG LEU A 79 6.266 5.903 4.901 1.00 0.00 C ATOM 1175 CD1 LEU A 79 5.540 5.316 3.687 1.00 0.00 C ATOM 1176 CD2 LEU A 79 6.306 7.435 4.789 1.00 0.00 C ATOM 0 H LEU A 79 4.899 4.283 8.252 1.00 0.00 H new ATOM 0 HA LEU A 79 7.385 4.685 6.889 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.938 4.599 6.003 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.834 6.284 6.476 1.00 0.00 H new ATOM 0 HG LEU A 79 7.286 5.520 4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.064 5.604 2.776 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.519 4.229 3.766 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.519 5.697 3.654 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.831 7.720 3.877 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.288 7.824 4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.827 7.849 5.652 1.00 0.00 H new ATOM 1188 N GLN A 80 8.298 6.596 8.288 1.00 0.00 N ATOM 1189 CA GLN A 80 8.894 7.836 8.873 1.00 0.00 C ATOM 1190 C GLN A 80 10.289 8.053 8.298 1.00 0.00 C ATOM 1191 O GLN A 80 10.813 7.220 7.576 1.00 0.00 O ATOM 1192 CB GLN A 80 8.984 7.692 10.394 1.00 0.00 C ATOM 1193 CG GLN A 80 7.622 7.277 10.956 1.00 0.00 C ATOM 1194 CD GLN A 80 7.749 6.987 12.454 1.00 0.00 C ATOM 1195 OE1 GLN A 80 6.966 7.472 13.246 1.00 0.00 O ATOM 1196 NE2 GLN A 80 8.708 6.210 12.877 1.00 0.00 N ATOM 0 H GLN A 80 8.930 5.796 8.252 1.00 0.00 H new ATOM 0 HA GLN A 80 8.264 8.691 8.626 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.737 6.948 10.654 1.00 0.00 H new ATOM 0 HB3 GLN A 80 9.300 8.635 10.840 1.00 0.00 H new ATOM 0 HG2 GLN A 80 6.892 8.069 10.790 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.257 6.393 10.434 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.365 5.803 12.212 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.800 6.010 13.873 1.00 0.00 H new ATOM 1205 N ASP A 81 10.877 9.183 8.610 1.00 0.00 N ATOM 1206 CA ASP A 81 12.237 9.525 8.095 1.00 0.00 C ATOM 1207 C ASP A 81 13.235 8.391 8.356 1.00 0.00 C ATOM 1208 O ASP A 81 13.769 8.245 9.445 1.00 0.00 O ATOM 1209 CB ASP A 81 12.740 10.799 8.771 1.00 0.00 C ATOM 1210 CG ASP A 81 11.708 11.915 8.596 1.00 0.00 C ATOM 1211 OD1 ASP A 81 11.400 12.238 7.461 1.00 0.00 O ATOM 1212 OD2 ASP A 81 11.244 12.428 9.600 1.00 0.00 O ATOM 0 H ASP A 81 10.462 9.895 9.211 1.00 0.00 H new ATOM 0 HA ASP A 81 12.158 9.676 7.018 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.916 10.615 9.831 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.694 11.101 8.338 1.00 0.00 H new ATOM 1217 N LEU A 82 13.512 7.636 7.328 1.00 0.00 N ATOM 1218 CA LEU A 82 14.510 6.525 7.398 1.00 0.00 C ATOM 1219 C LEU A 82 15.894 7.132 7.091 1.00 0.00 C ATOM 1220 O LEU A 82 15.960 8.281 6.677 1.00 0.00 O ATOM 1221 CB LEU A 82 14.140 5.466 6.348 1.00 0.00 C ATOM 1222 CG LEU A 82 13.046 4.544 6.895 1.00 0.00 C ATOM 1223 CD1 LEU A 82 12.447 3.724 5.748 1.00 0.00 C ATOM 1224 CD2 LEU A 82 13.651 3.594 7.932 1.00 0.00 C ATOM 0 H LEU A 82 13.075 7.746 6.413 1.00 0.00 H new ATOM 0 HA LEU A 82 14.521 6.052 8.380 1.00 0.00 H new ATOM 0 HB2 LEU A 82 13.794 5.952 5.436 1.00 0.00 H new ATOM 0 HB3 LEU A 82 15.021 4.881 6.084 1.00 0.00 H new ATOM 0 HG LEU A 82 12.265 5.146 7.361 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.669 3.068 6.138 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.017 4.397 5.006 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.229 3.123 5.283 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.873 2.938 8.322 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.431 2.994 7.464 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.080 4.173 8.750 1.00 0.00 H new ATOM 1236 N PRO A 83 16.970 6.381 7.291 1.00 0.00 N ATOM 1237 CA PRO A 83 18.322 6.905 7.019 1.00 0.00 C ATOM 1238 C PRO A 83 18.526 7.115 5.518 1.00 0.00 C ATOM 1239 O PRO A 83 18.791 6.185 4.776 1.00 0.00 O ATOM 1240 CB PRO A 83 19.262 5.848 7.606 1.00 0.00 C ATOM 1241 CG PRO A 83 18.440 4.546 7.706 1.00 0.00 C ATOM 1242 CD PRO A 83 16.961 4.974 7.778 1.00 0.00 C ATOM 0 HA PRO A 83 18.504 7.883 7.465 1.00 0.00 H new ATOM 0 HB2 PRO A 83 20.136 5.708 6.970 1.00 0.00 H new ATOM 0 HB3 PRO A 83 19.627 6.154 8.586 1.00 0.00 H new ATOM 0 HG2 PRO A 83 18.618 3.906 6.842 1.00 0.00 H new ATOM 0 HG3 PRO A 83 18.723 3.974 8.590 1.00 0.00 H new ATOM 0 HD2 PRO A 83 16.331 4.340 7.154 1.00 0.00 H new ATOM 0 HD3 PRO A 83 16.575 4.906 8.795 1.00 0.00 H new ATOM 1250 N GLY A 84 18.402 8.355 5.087 1.00 0.00 N ATOM 1251 CA GLY A 84 18.580 8.708 3.644 1.00 0.00 C ATOM 1252 C GLY A 84 17.241 8.649 2.887 1.00 0.00 C ATOM 1253 O GLY A 84 17.233 8.705 1.668 1.00 0.00 O ATOM 0 H GLY A 84 18.181 9.147 5.690 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.004 9.709 3.561 1.00 0.00 H new ATOM 0 HA3 GLY A 84 19.291 8.022 3.184 1.00 0.00 H new ATOM 1257 N CYS A 85 16.114 8.552 3.586 1.00 0.00 N ATOM 1258 CA CYS A 85 14.782 8.501 2.885 1.00 0.00 C ATOM 1259 C CYS A 85 13.746 9.310 3.705 1.00 0.00 C ATOM 1260 O CYS A 85 13.122 8.757 4.589 1.00 0.00 O ATOM 1261 CB CYS A 85 14.294 7.046 2.760 1.00 0.00 C ATOM 1262 SG CYS A 85 15.676 5.939 2.392 1.00 0.00 S ATOM 0 H CYS A 85 16.067 8.507 4.604 1.00 0.00 H new ATOM 0 HA CYS A 85 14.893 8.926 1.887 1.00 0.00 H new ATOM 0 HB2 CYS A 85 13.812 6.738 3.688 1.00 0.00 H new ATOM 0 HB3 CYS A 85 13.544 6.975 1.972 1.00 0.00 H new ATOM 1267 N PRO A 86 13.586 10.599 3.418 1.00 0.00 N ATOM 1268 CA PRO A 86 12.632 11.448 4.170 1.00 0.00 C ATOM 1269 C PRO A 86 11.189 11.140 3.779 1.00 0.00 C ATOM 1270 O PRO A 86 10.938 10.589 2.721 1.00 0.00 O ATOM 1271 CB PRO A 86 12.994 12.877 3.751 1.00 0.00 C ATOM 1272 CG PRO A 86 13.756 12.762 2.412 1.00 0.00 C ATOM 1273 CD PRO A 86 14.298 11.321 2.331 1.00 0.00 C ATOM 0 HA PRO A 86 12.700 11.284 5.246 1.00 0.00 H new ATOM 0 HB2 PRO A 86 12.098 13.486 3.636 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.612 13.359 4.509 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.095 12.974 1.572 1.00 0.00 H new ATOM 0 HG3 PRO A 86 14.571 13.485 2.367 1.00 0.00 H new ATOM 0 HD2 PRO A 86 14.096 10.874 1.358 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.378 11.293 2.476 1.00 0.00 H new ATOM 1281 N ARG A 87 10.234 11.534 4.616 1.00 0.00 N ATOM 1282 CA ARG A 87 8.785 11.325 4.303 1.00 0.00 C ATOM 1283 C ARG A 87 8.497 11.786 2.871 1.00 0.00 C ATOM 1284 O ARG A 87 7.585 11.308 2.226 1.00 0.00 O ATOM 1285 CB ARG A 87 7.945 12.199 5.228 1.00 0.00 C ATOM 1286 CG ARG A 87 8.191 11.815 6.685 1.00 0.00 C ATOM 1287 CD ARG A 87 7.059 10.908 7.186 1.00 0.00 C ATOM 1288 NE ARG A 87 6.573 11.405 8.504 1.00 0.00 N ATOM 1289 CZ ARG A 87 5.981 12.567 8.586 1.00 0.00 C ATOM 1290 NH1 ARG A 87 4.782 12.723 8.093 1.00 0.00 N ATOM 1291 NH2 ARG A 87 6.589 13.570 9.157 1.00 0.00 N ATOM 0 H ARG A 87 10.412 11.995 5.508 1.00 0.00 H new ATOM 0 HA ARG A 87 8.546 10.269 4.427 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.195 13.249 5.074 1.00 0.00 H new ATOM 0 HB3 ARG A 87 6.888 12.084 4.988 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.148 11.301 6.778 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.249 12.712 7.301 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.241 10.897 6.465 1.00 0.00 H new ATOM 0 HD3 ARG A 87 7.415 9.882 7.281 1.00 0.00 H new ATOM 0 HE ARG A 87 6.702 10.838 9.342 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.309 11.938 7.645 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.319 13.629 8.156 1.00 0.00 H new ATOM 0 HH21 ARG A 87 7.527 13.447 9.539 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.127 14.477 9.221 1.00 0.00 H new ATOM 1305 N GLN A 88 9.269 12.748 2.409 1.00 0.00 N ATOM 1306 CA GLN A 88 9.076 13.321 1.033 1.00 0.00 C ATOM 1307 C GLN A 88 9.119 12.226 -0.050 1.00 0.00 C ATOM 1308 O GLN A 88 8.212 12.125 -0.868 1.00 0.00 O ATOM 1309 CB GLN A 88 10.179 14.351 0.752 1.00 0.00 C ATOM 1310 CG GLN A 88 10.213 15.398 1.871 1.00 0.00 C ATOM 1311 CD GLN A 88 11.120 16.559 1.457 1.00 0.00 C ATOM 1312 OE1 GLN A 88 12.193 16.350 0.925 1.00 0.00 O ATOM 1313 NE2 GLN A 88 10.734 17.784 1.685 1.00 0.00 N ATOM 0 H GLN A 88 10.036 13.166 2.936 1.00 0.00 H new ATOM 0 HA GLN A 88 8.094 13.793 1.000 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.145 13.852 0.680 1.00 0.00 H new ATOM 0 HB3 GLN A 88 9.999 14.837 -0.207 1.00 0.00 H new ATOM 0 HG2 GLN A 88 9.206 15.763 2.072 1.00 0.00 H new ATOM 0 HG3 GLN A 88 10.579 14.948 2.794 1.00 0.00 H new ATOM 0 HE21 GLN A 88 9.834 17.960 2.131 1.00 0.00 H new ATOM 0 HE22 GLN A 88 11.332 18.565 1.417 1.00 0.00 H new ATOM 1322 N VAL A 89 10.169 11.423 -0.074 1.00 0.00 N ATOM 1323 CA VAL A 89 10.304 10.353 -1.103 1.00 0.00 C ATOM 1324 C VAL A 89 9.170 9.348 -0.948 1.00 0.00 C ATOM 1325 O VAL A 89 8.603 8.878 -1.926 1.00 0.00 O ATOM 1326 CB VAL A 89 11.651 9.672 -0.892 1.00 0.00 C ATOM 1327 CG1 VAL A 89 11.875 8.594 -1.953 1.00 0.00 C ATOM 1328 CG2 VAL A 89 12.742 10.725 -0.988 1.00 0.00 C ATOM 0 H VAL A 89 10.942 11.473 0.589 1.00 0.00 H new ATOM 0 HA VAL A 89 10.251 10.773 -2.108 1.00 0.00 H new ATOM 0 HB VAL A 89 11.672 9.196 0.088 1.00 0.00 H new ATOM 0 HG11 VAL A 89 12.841 8.117 -1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.085 7.846 -1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.859 9.049 -2.943 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.715 10.256 -0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 89 12.711 11.192 -1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.584 11.483 -0.221 1.00 0.00 H new ATOM 1338 N GLN A 90 8.835 9.036 0.278 1.00 0.00 N ATOM 1339 CA GLN A 90 7.729 8.074 0.549 1.00 0.00 C ATOM 1340 C GLN A 90 6.415 8.666 0.037 1.00 0.00 C ATOM 1341 O GLN A 90 5.495 7.939 -0.292 1.00 0.00 O ATOM 1342 CB GLN A 90 7.630 7.812 2.051 1.00 0.00 C ATOM 1343 CG GLN A 90 8.473 6.587 2.412 1.00 0.00 C ATOM 1344 CD GLN A 90 9.956 6.908 2.217 1.00 0.00 C ATOM 1345 OE1 GLN A 90 10.507 6.671 1.160 1.00 0.00 O ATOM 1346 NE2 GLN A 90 10.630 7.440 3.199 1.00 0.00 N ATOM 0 H GLN A 90 9.287 9.412 1.111 1.00 0.00 H new ATOM 0 HA GLN A 90 7.928 7.132 0.038 1.00 0.00 H new ATOM 0 HB2 GLN A 90 7.978 8.683 2.607 1.00 0.00 H new ATOM 0 HB3 GLN A 90 6.590 7.648 2.335 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.286 6.297 3.446 1.00 0.00 H new ATOM 0 HG3 GLN A 90 8.189 5.740 1.787 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.168 7.639 4.086 1.00 0.00 H new ATOM 0 HE22 GLN A 90 11.619 7.657 3.080 1.00 0.00 H new ATOM 1355 N ARG A 91 6.330 9.983 -0.025 1.00 0.00 N ATOM 1356 CA ARG A 91 5.088 10.654 -0.520 1.00 0.00 C ATOM 1357 C ARG A 91 5.052 10.601 -2.053 1.00 0.00 C ATOM 1358 O ARG A 91 3.991 10.495 -2.646 1.00 0.00 O ATOM 1359 CB ARG A 91 5.066 12.114 -0.043 1.00 0.00 C ATOM 1360 CG ARG A 91 3.697 12.437 0.566 1.00 0.00 C ATOM 1361 CD ARG A 91 3.674 11.986 2.028 1.00 0.00 C ATOM 1362 NE ARG A 91 2.287 11.596 2.409 1.00 0.00 N ATOM 1363 CZ ARG A 91 1.606 12.340 3.236 1.00 0.00 C ATOM 1364 NH1 ARG A 91 1.100 13.472 2.832 1.00 0.00 N ATOM 1365 NH2 ARG A 91 1.431 11.951 4.469 1.00 0.00 N ATOM 0 H ARG A 91 7.078 10.620 0.250 1.00 0.00 H new ATOM 0 HA ARG A 91 4.213 10.138 -0.125 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.851 12.278 0.695 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.270 12.783 -0.879 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.501 13.507 0.501 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.909 11.933 0.006 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.351 11.144 2.170 1.00 0.00 H new ATOM 0 HD3 ARG A 91 4.026 12.791 2.673 1.00 0.00 H new ATOM 0 HE ARG A 91 1.871 10.748 2.024 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.237 13.777 1.868 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.568 14.053 3.480 1.00 0.00 H new ATOM 0 HH21 ARG A 91 1.827 11.066 4.786 1.00 0.00 H new ATOM 0 HH22 ARG A 91 0.899 12.532 5.116 1.00 0.00 H new ATOM 1379 N ALA A 92 6.207 10.677 -2.695 1.00 0.00 N ATOM 1380 CA ALA A 92 6.262 10.635 -4.191 1.00 0.00 C ATOM 1381 C ALA A 92 5.860 9.239 -4.683 1.00 0.00 C ATOM 1382 O ALA A 92 5.042 9.106 -5.577 1.00 0.00 O ATOM 1383 CB ALA A 92 7.686 10.964 -4.657 1.00 0.00 C ATOM 0 H ALA A 92 7.114 10.767 -2.237 1.00 0.00 H new ATOM 0 HA ALA A 92 5.570 11.369 -4.603 1.00 0.00 H new ATOM 0 HB1 ALA A 92 7.729 10.934 -5.746 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.961 11.960 -4.310 1.00 0.00 H new ATOM 0 HB3 ALA A 92 8.381 10.232 -4.246 1.00 0.00 H new ATOM 1389 N PHE A 93 6.445 8.209 -4.106 1.00 0.00 N ATOM 1390 CA PHE A 93 6.127 6.796 -4.510 1.00 0.00 C ATOM 1391 C PHE A 93 4.796 6.341 -3.883 1.00 0.00 C ATOM 1392 O PHE A 93 4.153 5.437 -4.385 1.00 0.00 O ATOM 1393 CB PHE A 93 7.257 5.875 -4.022 1.00 0.00 C ATOM 1394 CG PHE A 93 6.917 4.422 -4.297 1.00 0.00 C ATOM 1395 CD1 PHE A 93 6.097 3.714 -3.407 1.00 0.00 C ATOM 1396 CD2 PHE A 93 7.415 3.793 -5.439 1.00 0.00 C ATOM 1397 CE1 PHE A 93 5.778 2.376 -3.661 1.00 0.00 C ATOM 1398 CE2 PHE A 93 7.098 2.454 -5.694 1.00 0.00 C ATOM 1399 CZ PHE A 93 6.280 1.746 -4.806 1.00 0.00 C ATOM 0 H PHE A 93 7.138 8.290 -3.362 1.00 0.00 H new ATOM 0 HA PHE A 93 6.037 6.747 -5.595 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.189 6.137 -4.523 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.417 6.021 -2.954 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.711 4.202 -2.524 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.045 4.339 -6.126 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.146 1.830 -2.976 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.485 1.967 -6.577 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.036 0.713 -5.004 1.00 0.00 H new ATOM 1409 N ALA A 94 4.427 6.923 -2.763 1.00 0.00 N ATOM 1410 CA ALA A 94 3.180 6.521 -2.021 1.00 0.00 C ATOM 1411 C ALA A 94 1.982 6.249 -2.960 1.00 0.00 C ATOM 1412 O ALA A 94 1.349 5.217 -2.818 1.00 0.00 O ATOM 1413 CB ALA A 94 2.808 7.619 -1.023 1.00 0.00 C ATOM 0 H ALA A 94 4.950 7.679 -2.320 1.00 0.00 H new ATOM 0 HA ALA A 94 3.399 5.587 -1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.905 7.331 -0.484 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.624 7.758 -0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.629 8.552 -1.558 1.00 0.00 H new ATOM 1419 N PRO A 95 1.685 7.161 -3.883 1.00 0.00 N ATOM 1420 CA PRO A 95 0.554 6.989 -4.831 1.00 0.00 C ATOM 1421 C PRO A 95 0.882 6.018 -5.994 1.00 0.00 C ATOM 1422 O PRO A 95 0.374 6.180 -7.094 1.00 0.00 O ATOM 1423 CB PRO A 95 0.305 8.407 -5.356 1.00 0.00 C ATOM 1424 CG PRO A 95 1.616 9.196 -5.137 1.00 0.00 C ATOM 1425 CD PRO A 95 2.414 8.441 -4.058 1.00 0.00 C ATOM 0 HA PRO A 95 -0.314 6.545 -4.344 1.00 0.00 H new ATOM 0 HB2 PRO A 95 0.037 8.387 -6.412 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -0.523 8.877 -4.825 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.186 9.263 -6.064 1.00 0.00 H new ATOM 0 HG3 PRO A 95 1.404 10.217 -4.818 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.444 8.271 -4.372 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.454 9.005 -3.126 1.00 0.00 H new ATOM 1433 N LYS A 96 1.692 5.001 -5.751 1.00 0.00 N ATOM 1434 CA LYS A 96 2.027 3.998 -6.811 1.00 0.00 C ATOM 1435 C LYS A 96 1.664 2.595 -6.291 1.00 0.00 C ATOM 1436 O LYS A 96 2.294 1.605 -6.632 1.00 0.00 O ATOM 1437 CB LYS A 96 3.523 4.078 -7.131 1.00 0.00 C ATOM 1438 CG LYS A 96 3.800 5.340 -7.949 1.00 0.00 C ATOM 1439 CD LYS A 96 5.260 5.348 -8.405 1.00 0.00 C ATOM 1440 CE LYS A 96 5.512 6.573 -9.287 1.00 0.00 C ATOM 1441 NZ LYS A 96 5.103 6.270 -10.688 1.00 0.00 N ATOM 0 H LYS A 96 2.137 4.828 -4.849 1.00 0.00 H new ATOM 0 HA LYS A 96 1.464 4.204 -7.722 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.103 4.095 -6.208 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.835 3.194 -7.688 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.138 5.377 -8.814 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.591 6.226 -7.350 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.922 5.367 -7.540 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.484 4.436 -8.958 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.950 7.428 -8.910 1.00 0.00 H new ATOM 0 HE3 LYS A 96 6.567 6.846 -9.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.900 7.158 -11.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 5.873 5.766 -11.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.251 5.674 -10.680 1.00 0.00 H new ATOM 1455 N LEU A 97 0.647 2.524 -5.453 1.00 0.00 N ATOM 1456 CA LEU A 97 0.208 1.204 -4.861 1.00 0.00 C ATOM 1457 C LEU A 97 -0.518 0.345 -5.916 1.00 0.00 C ATOM 1458 O LEU A 97 0.019 -0.661 -6.362 1.00 0.00 O ATOM 1459 CB LEU A 97 -0.716 1.413 -3.637 1.00 0.00 C ATOM 1460 CG LEU A 97 -1.645 2.639 -3.811 1.00 0.00 C ATOM 1461 CD1 LEU A 97 -3.086 2.251 -3.458 1.00 0.00 C ATOM 1462 CD2 LEU A 97 -1.177 3.784 -2.895 1.00 0.00 C ATOM 0 H LEU A 97 0.097 3.328 -5.151 1.00 0.00 H new ATOM 0 HA LEU A 97 1.107 0.683 -4.532 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.321 0.519 -3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.108 1.544 -2.742 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.606 2.972 -4.848 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.737 3.117 -3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.419 1.450 -4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.128 1.911 -2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.835 4.644 -3.022 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.207 3.455 -1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.157 4.066 -3.157 1.00 0.00 H new ATOM 1474 N VAL A 98 -1.726 0.712 -6.308 1.00 0.00 N ATOM 1475 CA VAL A 98 -2.474 -0.090 -7.320 1.00 0.00 C ATOM 1476 C VAL A 98 -2.249 0.498 -8.722 1.00 0.00 C ATOM 1477 O VAL A 98 -3.097 0.375 -9.595 1.00 0.00 O ATOM 1478 CB VAL A 98 -3.962 -0.081 -6.975 1.00 0.00 C ATOM 1479 CG1 VAL A 98 -4.134 -0.504 -5.525 1.00 0.00 C ATOM 1480 CG2 VAL A 98 -4.551 1.324 -7.161 1.00 0.00 C ATOM 0 H VAL A 98 -2.219 1.536 -5.964 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.112 -1.118 -7.311 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.484 -0.771 -7.638 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.193 -0.501 -5.268 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.730 -1.507 -5.388 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.602 0.193 -4.877 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.612 1.310 -6.910 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.033 2.025 -6.507 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.427 1.636 -8.198 1.00 0.00 H new ATOM 1490 N THR A 99 -1.121 1.129 -8.938 1.00 0.00 N ATOM 1491 CA THR A 99 -0.830 1.712 -10.286 1.00 0.00 C ATOM 1492 C THR A 99 0.035 0.731 -11.079 1.00 0.00 C ATOM 1493 O THR A 99 0.509 -0.249 -10.529 1.00 0.00 O ATOM 1494 CB THR A 99 -0.096 3.054 -10.152 1.00 0.00 C ATOM 1495 OG1 THR A 99 1.236 2.843 -9.699 1.00 0.00 O ATOM 1496 CG2 THR A 99 -0.828 3.935 -9.155 1.00 0.00 C ATOM 0 H THR A 99 -0.390 1.266 -8.240 1.00 0.00 H new ATOM 0 HA THR A 99 -1.772 1.886 -10.806 1.00 0.00 H new ATOM 0 HB THR A 99 -0.070 3.540 -11.127 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.784 3.626 -9.917 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.307 4.888 -9.060 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.846 4.111 -9.504 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.858 3.439 -8.185 1.00 0.00 H new ATOM 1504 N GLU A 100 0.236 0.968 -12.365 1.00 0.00 N ATOM 1505 CA GLU A 100 1.068 0.033 -13.183 1.00 0.00 C ATOM 1506 C GLU A 100 2.530 -0.047 -12.668 1.00 0.00 C ATOM 1507 O GLU A 100 3.312 -0.803 -13.225 1.00 0.00 O ATOM 1508 CB GLU A 100 1.068 0.513 -14.642 1.00 0.00 C ATOM 1509 CG GLU A 100 0.893 -0.681 -15.592 1.00 0.00 C ATOM 1510 CD GLU A 100 2.204 -0.951 -16.337 1.00 0.00 C ATOM 1511 OE1 GLU A 100 2.684 -0.046 -16.998 1.00 0.00 O ATOM 1512 OE2 GLU A 100 2.704 -2.058 -16.234 1.00 0.00 O ATOM 0 H GLU A 100 -0.142 1.767 -12.873 1.00 0.00 H new ATOM 0 HA GLU A 100 0.634 -0.964 -13.103 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.263 1.231 -14.796 1.00 0.00 H new ATOM 0 HB3 GLU A 100 2.002 1.029 -14.863 1.00 0.00 H new ATOM 0 HG2 GLU A 100 0.596 -1.565 -15.028 1.00 0.00 H new ATOM 0 HG3 GLU A 100 0.095 -0.475 -16.305 1.00 0.00 H new ATOM 1519 N VAL A 101 2.927 0.710 -11.635 1.00 0.00 N ATOM 1520 CA VAL A 101 4.341 0.634 -11.149 1.00 0.00 C ATOM 1521 C VAL A 101 4.451 -0.289 -9.924 1.00 0.00 C ATOM 1522 O VAL A 101 5.518 -0.394 -9.339 1.00 0.00 O ATOM 1523 CB VAL A 101 4.817 2.039 -10.763 1.00 0.00 C ATOM 1524 CG1 VAL A 101 6.314 1.999 -10.445 1.00 0.00 C ATOM 1525 CG2 VAL A 101 4.557 3.016 -11.922 1.00 0.00 C ATOM 0 H VAL A 101 2.328 1.361 -11.127 1.00 0.00 H new ATOM 0 HA VAL A 101 4.962 0.229 -11.948 1.00 0.00 H new ATOM 0 HB VAL A 101 4.268 2.378 -9.884 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.654 2.997 -10.170 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.492 1.314 -9.616 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.863 1.657 -11.322 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.898 4.013 -11.641 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.099 2.683 -12.807 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.490 3.046 -12.140 1.00 0.00 H new ATOM 1535 N GLU A 102 3.372 -0.949 -9.524 1.00 0.00 N ATOM 1536 CA GLU A 102 3.441 -1.850 -8.326 1.00 0.00 C ATOM 1537 C GLU A 102 2.584 -3.119 -8.536 1.00 0.00 C ATOM 1538 O GLU A 102 3.088 -4.112 -9.038 1.00 0.00 O ATOM 1539 CB GLU A 102 2.983 -1.064 -7.091 1.00 0.00 C ATOM 1540 CG GLU A 102 3.032 -1.950 -5.840 1.00 0.00 C ATOM 1541 CD GLU A 102 4.481 -2.094 -5.374 1.00 0.00 C ATOM 1542 OE1 GLU A 102 5.260 -2.689 -6.102 1.00 0.00 O ATOM 1543 OE2 GLU A 102 4.788 -1.609 -4.299 1.00 0.00 O ATOM 0 H GLU A 102 2.459 -0.898 -9.976 1.00 0.00 H new ATOM 0 HA GLU A 102 4.468 -2.183 -8.179 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.621 -0.192 -6.951 1.00 0.00 H new ATOM 0 HB3 GLU A 102 1.968 -0.696 -7.243 1.00 0.00 H new ATOM 0 HG2 GLU A 102 2.426 -1.512 -5.047 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.610 -2.931 -6.059 1.00 0.00 H new ATOM 1550 N CYS A 103 1.317 -3.114 -8.133 1.00 0.00 N ATOM 1551 CA CYS A 103 0.463 -4.343 -8.288 1.00 0.00 C ATOM 1552 C CYS A 103 -0.992 -3.937 -8.642 1.00 0.00 C ATOM 1553 O CYS A 103 -1.946 -4.483 -8.102 1.00 0.00 O ATOM 1554 CB CYS A 103 0.499 -5.108 -6.954 1.00 0.00 C ATOM 1555 SG CYS A 103 2.178 -5.733 -6.662 1.00 0.00 S ATOM 0 H CYS A 103 0.848 -2.314 -7.708 1.00 0.00 H new ATOM 0 HA CYS A 103 0.839 -4.974 -9.093 1.00 0.00 H new ATOM 0 HB2 CYS A 103 0.196 -4.452 -6.138 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -0.210 -5.936 -6.978 1.00 0.00 H new ATOM 1560 N ASN A 104 -1.165 -2.959 -9.528 1.00 0.00 N ATOM 1561 CA ASN A 104 -2.536 -2.464 -9.915 1.00 0.00 C ATOM 1562 C ASN A 104 -3.574 -3.582 -10.063 1.00 0.00 C ATOM 1563 O ASN A 104 -4.603 -3.535 -9.407 1.00 0.00 O ATOM 1564 CB ASN A 104 -2.458 -1.665 -11.229 1.00 0.00 C ATOM 1565 CG ASN A 104 -1.927 -2.531 -12.375 1.00 0.00 C ATOM 1566 OD1 ASN A 104 -0.647 -2.763 -12.478 1.00 0.00 O flip ATOM 1567 ND2 ASN A 104 -2.692 -3.005 -13.192 1.00 0.00 N flip ATOM 0 H ASN A 104 -0.398 -2.481 -10.002 1.00 0.00 H new ATOM 0 HA ASN A 104 -2.870 -1.827 -9.096 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.447 -1.285 -11.485 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -1.809 -0.800 -11.093 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -3.693 -2.827 -13.116 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -2.332 -3.581 -13.953 1.00 0.00 H new ATOM 1574 N LEU A 105 -3.336 -4.570 -10.910 1.00 0.00 N ATOM 1575 CA LEU A 105 -4.338 -5.680 -11.102 1.00 0.00 C ATOM 1576 C LEU A 105 -5.782 -5.117 -11.260 1.00 0.00 C ATOM 1577 O LEU A 105 -6.749 -5.813 -10.992 1.00 0.00 O ATOM 1578 CB LEU A 105 -4.280 -6.601 -9.878 1.00 0.00 C ATOM 1579 CG LEU A 105 -3.026 -7.485 -9.953 1.00 0.00 C ATOM 1580 CD1 LEU A 105 -2.368 -7.561 -8.572 1.00 0.00 C ATOM 1581 CD2 LEU A 105 -3.416 -8.896 -10.409 1.00 0.00 C ATOM 0 H LEU A 105 -2.491 -4.653 -11.475 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.090 -6.228 -12.011 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.263 -6.007 -8.964 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.174 -7.224 -9.837 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.325 -7.054 -10.667 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.478 -8.189 -8.627 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.086 -6.559 -8.248 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.071 -7.989 -7.857 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.524 -9.521 -10.461 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.120 -9.327 -9.697 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.881 -8.845 -11.393 1.00 0.00 H new ATOM 1593 N ALA A 106 -5.928 -3.866 -11.690 1.00 0.00 N ATOM 1594 CA ALA A 106 -7.288 -3.249 -11.862 1.00 0.00 C ATOM 1595 C ALA A 106 -7.981 -3.132 -10.494 1.00 0.00 C ATOM 1596 O ALA A 106 -8.141 -4.114 -9.789 1.00 0.00 O ATOM 1597 CB ALA A 106 -8.135 -4.114 -12.802 1.00 0.00 C ATOM 0 H ALA A 106 -5.151 -3.250 -11.928 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.179 -2.254 -12.294 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -9.120 -3.663 -12.923 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.645 -4.183 -13.773 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.243 -5.113 -12.379 1.00 0.00 H new ATOM 1603 N THR A 107 -8.387 -1.930 -10.126 1.00 0.00 N ATOM 1604 CA THR A 107 -9.074 -1.706 -8.804 1.00 0.00 C ATOM 1605 C THR A 107 -10.590 -1.882 -9.016 1.00 0.00 C ATOM 1606 O THR A 107 -11.009 -2.488 -9.989 1.00 0.00 O ATOM 1607 CB THR A 107 -8.766 -0.270 -8.285 1.00 0.00 C ATOM 1608 OG1 THR A 107 -9.622 0.683 -8.904 1.00 0.00 O ATOM 1609 CG2 THR A 107 -7.328 0.122 -8.618 1.00 0.00 C ATOM 0 H THR A 107 -8.270 -1.089 -10.691 1.00 0.00 H new ATOM 0 HA THR A 107 -8.716 -2.421 -8.064 1.00 0.00 H new ATOM 0 HB THR A 107 -8.922 -0.275 -7.206 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.152 1.539 -8.988 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.130 1.128 -8.248 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.641 -0.580 -8.146 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.185 0.098 -9.698 1.00 0.00 H new ATOM 1617 N ILE A 108 -11.406 -1.333 -8.132 1.00 0.00 N ATOM 1618 CA ILE A 108 -12.893 -1.430 -8.301 1.00 0.00 C ATOM 1619 C ILE A 108 -13.288 -0.622 -9.547 1.00 0.00 C ATOM 1620 O ILE A 108 -14.242 -0.937 -10.236 1.00 0.00 O ATOM 1621 CB ILE A 108 -13.596 -0.863 -7.055 1.00 0.00 C ATOM 1622 CG1 ILE A 108 -15.107 -1.050 -7.200 1.00 0.00 C ATOM 1623 CG2 ILE A 108 -13.280 0.633 -6.894 1.00 0.00 C ATOM 1624 CD1 ILE A 108 -15.489 -2.464 -6.757 1.00 0.00 C ATOM 0 H ILE A 108 -11.100 -0.823 -7.303 1.00 0.00 H new ATOM 0 HA ILE A 108 -13.194 -2.471 -8.422 1.00 0.00 H new ATOM 0 HB ILE A 108 -13.237 -1.395 -6.174 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -15.635 -0.313 -6.596 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -15.407 -0.888 -8.235 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -13.785 1.018 -6.008 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -12.204 0.768 -6.786 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -13.627 1.175 -7.774 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -16.566 -2.599 -6.860 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -14.971 -3.193 -7.380 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -15.203 -2.609 -5.715 1.00 0.00 H new ATOM 1636 N HIS A 109 -12.536 0.424 -9.818 1.00 0.00 N ATOM 1637 CA HIS A 109 -12.783 1.317 -10.991 1.00 0.00 C ATOM 1638 C HIS A 109 -12.467 0.612 -12.328 1.00 0.00 C ATOM 1639 O HIS A 109 -12.620 1.215 -13.379 1.00 0.00 O ATOM 1640 CB HIS A 109 -11.868 2.534 -10.848 1.00 0.00 C ATOM 1641 CG HIS A 109 -12.306 3.362 -9.676 1.00 0.00 C ATOM 1642 ND1 HIS A 109 -13.343 4.272 -9.763 1.00 0.00 N ATOM 1643 CD2 HIS A 109 -11.848 3.438 -8.383 1.00 0.00 C ATOM 1644 CE1 HIS A 109 -13.474 4.852 -8.557 1.00 0.00 C ATOM 1645 NE2 HIS A 109 -12.588 4.380 -7.679 1.00 0.00 N ATOM 0 H HIS A 109 -11.734 0.700 -9.251 1.00 0.00 H new ATOM 0 HA HIS A 109 -13.836 1.598 -11.004 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -10.836 2.211 -10.712 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -11.897 3.132 -11.759 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -11.036 2.854 -7.976 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -14.209 5.609 -8.327 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -12.478 4.652 -6.702 1.00 0.00 H new ATOM 1653 N GLY A 110 -12.017 -0.635 -12.308 1.00 0.00 N ATOM 1654 CA GLY A 110 -11.679 -1.349 -13.580 1.00 0.00 C ATOM 1655 C GLY A 110 -10.604 -0.560 -14.333 1.00 0.00 C ATOM 1656 O GLY A 110 -10.537 -0.602 -15.551 1.00 0.00 O ATOM 0 H GLY A 110 -11.872 -1.182 -11.459 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -11.322 -2.355 -13.362 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.570 -1.454 -14.199 1.00 0.00 H new ATOM 1660 N GLY A 111 -9.771 0.166 -13.607 1.00 0.00 N ATOM 1661 CA GLY A 111 -8.693 0.980 -14.254 1.00 0.00 C ATOM 1662 C GLY A 111 -7.554 1.247 -13.249 1.00 0.00 C ATOM 1663 O GLY A 111 -7.713 0.988 -12.071 1.00 0.00 O ATOM 0 H GLY A 111 -9.798 0.225 -12.589 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -8.303 0.454 -15.126 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -9.104 1.925 -14.609 1.00 0.00 H new ATOM 1667 N PRO A 112 -6.431 1.756 -13.748 1.00 0.00 N ATOM 1668 CA PRO A 112 -5.248 2.066 -12.910 1.00 0.00 C ATOM 1669 C PRO A 112 -5.418 3.394 -12.141 1.00 0.00 C ATOM 1670 O PRO A 112 -4.788 4.394 -12.459 1.00 0.00 O ATOM 1671 CB PRO A 112 -4.102 2.163 -13.934 1.00 0.00 C ATOM 1672 CG PRO A 112 -4.753 2.458 -15.304 1.00 0.00 C ATOM 1673 CD PRO A 112 -6.233 2.060 -15.189 1.00 0.00 C ATOM 0 HA PRO A 112 -5.076 1.315 -12.139 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -3.404 2.954 -13.659 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -3.534 1.233 -13.968 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -4.655 3.513 -15.559 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -4.261 1.892 -16.095 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -6.887 2.868 -15.517 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -6.460 1.194 -15.811 1.00 0.00 H new ATOM 1681 N PHE A 113 -6.243 3.395 -11.109 1.00 0.00 N ATOM 1682 CA PHE A 113 -6.440 4.635 -10.279 1.00 0.00 C ATOM 1683 C PHE A 113 -7.512 4.397 -9.206 1.00 0.00 C ATOM 1684 O PHE A 113 -8.391 3.568 -9.381 1.00 0.00 O ATOM 1685 CB PHE A 113 -6.866 5.819 -11.161 1.00 0.00 C ATOM 1686 CG PHE A 113 -8.089 5.472 -11.982 1.00 0.00 C ATOM 1687 CD1 PHE A 113 -9.368 5.528 -11.406 1.00 0.00 C ATOM 1688 CD2 PHE A 113 -7.947 5.120 -13.329 1.00 0.00 C ATOM 1689 CE1 PHE A 113 -10.498 5.228 -12.181 1.00 0.00 C ATOM 1690 CE2 PHE A 113 -9.076 4.827 -14.104 1.00 0.00 C ATOM 1691 CZ PHE A 113 -10.352 4.880 -13.531 1.00 0.00 C ATOM 0 H PHE A 113 -6.788 2.588 -10.807 1.00 0.00 H new ATOM 0 HA PHE A 113 -5.490 4.869 -9.799 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -7.078 6.686 -10.535 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -6.046 6.097 -11.823 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -9.482 5.802 -10.367 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -6.963 5.074 -13.772 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -11.482 5.265 -11.737 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -8.962 4.560 -15.144 1.00 0.00 H new ATOM 0 HZ PHE A 113 -11.223 4.653 -14.128 1.00 0.00 H new