USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 870 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 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 76 GLN : amide:sc= 0.291 K(o=0.29,f=-7.2!) USER MOD Set 2.1: A 37 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 39 TYR OH : rot 67:sc= 0.376! USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 16 SER OG : rot 36:sc= -2.12! USER MOD Single : A 19 LYS NZ :NH3+ 149:sc= -0.216 (180deg=-0.949) USER MOD Single : A 20 SER OG : rot -170:sc= -0.169 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.437 X(o=-0.44,f=0.033) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -2.73 K(o=-2.7,f=-0.57) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 15:sc= 0.487 USER MOD Single : A 52 SER OG : rot 150:sc= -0.08 USER MOD Single : A 53 SER OG : rot 41:sc= 0.694 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 62 LYS NZ :NH3+ -145:sc= 0.176 (180deg=0.00517) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 71 THR OG1 : rot -8:sc= 0.824 USER MOD Single : A 81 LYS NZ :NH3+ 165:sc= -1.33 (180deg=-1.43) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -132:sc= -2.04 (180deg=-4.22!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 34:sc= 0.669 USER MOD Single : A 95 TYR OH : rot 130:sc= -0.177 USER MOD Single : A 96 LYS NZ :NH3+ -161:sc= -0.0303 (180deg=-0.246) USER MOD Single : A 97 ASN : amide:sc= -4.53! K(o=-4.5!,f=-2.8) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0.292 X(o=0.29,f=0) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 111 LYS NZ :NH3+ 151:sc= -0.36 (180deg=-1.18!) USER MOD Single : A 112 SER OG : rot 13:sc= 0.884 USER MOD Single : A 114 TYR OH : rot -15:sc= -0.468 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 109 N GLU A 12 8.390 26.657 0.002 1.00 0.00 N ATOM 110 CA GLU A 12 8.216 25.479 -0.840 1.00 0.00 C ATOM 111 C GLU A 12 6.859 24.828 -0.590 1.00 0.00 C ATOM 112 O GLU A 12 6.223 25.069 0.436 1.00 0.00 O ATOM 113 CB GLU A 12 9.336 24.469 -0.579 1.00 0.00 C ATOM 114 CG GLU A 12 10.683 24.897 -1.136 1.00 0.00 C ATOM 115 CD GLU A 12 11.847 24.289 -0.377 1.00 0.00 C ATOM 116 OE1 GLU A 12 12.146 24.768 0.736 1.00 0.00 O ATOM 117 OE2 GLU A 12 12.459 23.332 -0.898 1.00 0.00 O ATOM 0 HA GLU A 12 8.260 25.798 -1.881 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.430 24.313 0.496 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.059 23.510 -1.018 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.747 24.608 -2.185 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.758 25.984 -1.100 1.00 0.00 H new ATOM 124 N ARG A 13 6.423 24.001 -1.535 1.00 0.00 N ATOM 125 CA ARG A 13 5.142 23.316 -1.419 1.00 0.00 C ATOM 126 C ARG A 13 5.178 22.282 -0.297 1.00 0.00 C ATOM 127 O ARG A 13 6.240 21.765 0.049 1.00 0.00 O ATOM 128 CB ARG A 13 4.781 22.637 -2.741 1.00 0.00 C ATOM 129 CG ARG A 13 5.768 21.561 -3.163 1.00 0.00 C ATOM 130 CD ARG A 13 5.594 21.188 -4.627 1.00 0.00 C ATOM 131 NE ARG A 13 6.423 20.046 -5.003 1.00 0.00 N ATOM 132 CZ ARG A 13 6.642 19.679 -6.261 1.00 0.00 C ATOM 133 NH1 ARG A 13 6.097 20.362 -7.258 1.00 0.00 N ATOM 134 NH2 ARG A 13 7.408 18.628 -6.523 1.00 0.00 N ATOM 0 H ARG A 13 6.939 23.789 -2.389 1.00 0.00 H new ATOM 0 HA ARG A 13 4.381 24.059 -1.181 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.789 22.194 -2.653 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.724 23.393 -3.524 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.786 21.913 -2.995 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.630 20.676 -2.542 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.547 20.955 -4.820 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.850 22.043 -5.252 1.00 0.00 H new ATOM 0 HE ARG A 13 6.858 19.500 -4.259 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.508 21.171 -7.060 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.267 20.078 -8.223 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.829 18.101 -5.758 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.575 18.347 -7.489 1.00 0.00 H new ATOM 148 N GLN A 14 4.011 21.987 0.266 1.00 0.00 N ATOM 149 CA GLN A 14 3.910 21.016 1.349 1.00 0.00 C ATOM 150 C GLN A 14 3.177 19.760 0.888 1.00 0.00 C ATOM 151 O GLN A 14 1.969 19.787 0.648 1.00 0.00 O ATOM 152 CB GLN A 14 3.187 21.632 2.549 1.00 0.00 C ATOM 153 CG GLN A 14 4.099 22.436 3.461 1.00 0.00 C ATOM 154 CD GLN A 14 4.792 21.575 4.499 1.00 0.00 C ATOM 155 OE1 GLN A 14 4.142 20.890 5.288 1.00 0.00 O ATOM 156 NE2 GLN A 14 6.120 21.607 4.504 1.00 0.00 N ATOM 0 H GLN A 14 3.123 22.406 -0.010 1.00 0.00 H new ATOM 0 HA GLN A 14 4.920 20.736 1.647 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.387 22.278 2.188 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.718 20.836 3.128 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.850 22.947 2.859 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.515 23.207 3.965 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.619 22.189 3.831 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.641 21.049 5.180 1.00 0.00 H new ATOM 165 N LEU A 15 3.915 18.662 0.767 1.00 0.00 N ATOM 166 CA LEU A 15 3.335 17.395 0.334 1.00 0.00 C ATOM 167 C LEU A 15 2.272 16.918 1.319 1.00 0.00 C ATOM 168 O LEU A 15 2.529 16.802 2.517 1.00 0.00 O ATOM 169 CB LEU A 15 4.427 16.334 0.192 1.00 0.00 C ATOM 170 CG LEU A 15 3.975 14.881 0.345 1.00 0.00 C ATOM 171 CD1 LEU A 15 2.944 14.529 -0.716 1.00 0.00 C ATOM 172 CD2 LEU A 15 5.169 13.940 0.264 1.00 0.00 C ATOM 0 H LEU A 15 4.915 18.623 0.962 1.00 0.00 H new ATOM 0 HA LEU A 15 2.862 17.553 -0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.891 16.448 -0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.199 16.534 0.935 1.00 0.00 H new ATOM 0 HG LEU A 15 3.512 14.765 1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.634 13.491 -0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.077 15.182 -0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.381 14.661 -1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.829 12.910 0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.660 14.058 -0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.874 14.177 1.061 1.00 0.00 H new ATOM 184 N SER A 16 1.078 16.642 0.805 1.00 0.00 N ATOM 185 CA SER A 16 -0.025 16.178 1.639 1.00 0.00 C ATOM 186 C SER A 16 -0.433 14.758 1.261 1.00 0.00 C ATOM 187 O SER A 16 -0.797 14.471 0.120 1.00 0.00 O ATOM 188 CB SER A 16 -1.225 17.118 1.503 1.00 0.00 C ATOM 189 OG SER A 16 -1.353 17.593 0.174 1.00 0.00 O ATOM 0 H SER A 16 0.849 16.732 -0.185 1.00 0.00 H new ATOM 0 HA SER A 16 0.312 16.177 2.676 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.136 16.595 1.795 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.110 17.961 2.184 1.00 0.00 H new ATOM 0 HG SER A 16 -1.098 16.884 -0.453 1.00 0.00 H new ATOM 195 N PRO A 17 -0.370 13.845 2.241 1.00 0.00 N ATOM 196 CA PRO A 17 -0.729 12.438 2.037 1.00 0.00 C ATOM 197 C PRO A 17 -2.227 12.247 1.821 1.00 0.00 C ATOM 198 O PRO A 17 -2.646 11.599 0.863 1.00 0.00 O ATOM 199 CB PRO A 17 -0.287 11.766 3.340 1.00 0.00 C ATOM 200 CG PRO A 17 -0.317 12.855 4.357 1.00 0.00 C ATOM 201 CD PRO A 17 0.055 14.115 3.625 1.00 0.00 C ATOM 0 HA PRO A 17 -0.258 12.023 1.146 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.958 10.951 3.613 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.712 11.339 3.246 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.306 12.942 4.806 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.384 12.652 5.167 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.454 14.985 4.039 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.125 14.313 3.685 1.00 0.00 H new ATOM 209 N GLU A 18 -3.027 12.816 2.718 1.00 0.00 N ATOM 210 CA GLU A 18 -4.478 12.707 2.624 1.00 0.00 C ATOM 211 C GLU A 18 -4.967 13.131 1.242 1.00 0.00 C ATOM 212 O GLU A 18 -5.817 12.473 0.642 1.00 0.00 O ATOM 213 CB GLU A 18 -5.146 13.566 3.699 1.00 0.00 C ATOM 214 CG GLU A 18 -4.646 15.001 3.731 1.00 0.00 C ATOM 215 CD GLU A 18 -4.738 15.620 5.112 1.00 0.00 C ATOM 216 OE1 GLU A 18 -5.870 15.786 5.613 1.00 0.00 O ATOM 217 OE2 GLU A 18 -3.679 15.939 5.692 1.00 0.00 O ATOM 0 H GLU A 18 -2.695 13.356 3.517 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.750 11.663 2.782 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.223 13.569 3.532 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.976 13.109 4.674 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.610 15.028 3.393 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.226 15.600 3.029 1.00 0.00 H new ATOM 224 N LYS A 19 -4.423 14.236 0.742 1.00 0.00 N ATOM 225 CA LYS A 19 -4.802 14.749 -0.569 1.00 0.00 C ATOM 226 C LYS A 19 -4.457 13.747 -1.667 1.00 0.00 C ATOM 227 O LYS A 19 -5.241 13.531 -2.591 1.00 0.00 O ATOM 228 CB LYS A 19 -4.098 16.081 -0.841 1.00 0.00 C ATOM 229 CG LYS A 19 -4.840 17.285 -0.288 1.00 0.00 C ATOM 230 CD LYS A 19 -5.776 17.887 -1.322 1.00 0.00 C ATOM 231 CE LYS A 19 -7.168 17.279 -1.235 1.00 0.00 C ATOM 232 NZ LYS A 19 -7.782 17.491 0.105 1.00 0.00 N ATOM 0 H LYS A 19 -3.718 14.793 1.225 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.881 14.907 -0.571 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.099 16.050 -0.407 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.974 16.204 -1.917 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.411 16.989 0.592 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.122 18.038 0.036 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.839 18.965 -1.174 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.369 17.726 -2.320 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.806 17.720 -2.001 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.112 16.211 -1.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.815 17.566 0.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.551 16.688 0.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.410 18.368 0.523 1.00 0.00 H new ATOM 246 N SER A 20 -3.281 13.137 -1.557 1.00 0.00 N ATOM 247 CA SER A 20 -2.833 12.159 -2.541 1.00 0.00 C ATOM 248 C SER A 20 -3.983 11.253 -2.970 1.00 0.00 C ATOM 249 O SER A 20 -4.930 11.035 -2.214 1.00 0.00 O ATOM 250 CB SER A 20 -1.691 11.317 -1.970 1.00 0.00 C ATOM 251 OG SER A 20 -0.774 12.122 -1.249 1.00 0.00 O ATOM 0 H SER A 20 -2.622 13.303 -0.797 1.00 0.00 H new ATOM 0 HA SER A 20 -2.474 12.700 -3.417 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.096 10.546 -1.315 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.172 10.806 -2.781 1.00 0.00 H new ATOM 0 HG SER A 20 0.022 11.595 -1.030 1.00 0.00 H new ATOM 257 N GLU A 21 -3.892 10.729 -4.188 1.00 0.00 N ATOM 258 CA GLU A 21 -4.926 9.847 -4.718 1.00 0.00 C ATOM 259 C GLU A 21 -4.337 8.496 -5.116 1.00 0.00 C ATOM 260 O GLU A 21 -3.356 8.430 -5.858 1.00 0.00 O ATOM 261 CB GLU A 21 -5.609 10.493 -5.925 1.00 0.00 C ATOM 262 CG GLU A 21 -5.791 11.996 -5.788 1.00 0.00 C ATOM 263 CD GLU A 21 -6.993 12.510 -6.557 1.00 0.00 C ATOM 264 OE1 GLU A 21 -8.131 12.306 -6.085 1.00 0.00 O ATOM 265 OE2 GLU A 21 -6.795 13.117 -7.630 1.00 0.00 O ATOM 0 H GLU A 21 -3.114 10.899 -4.826 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.666 9.685 -3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.020 10.287 -6.819 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.584 10.029 -6.072 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.903 12.250 -4.734 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.893 12.501 -6.144 1.00 0.00 H new ATOM 272 N ILE A 22 -4.942 7.424 -4.619 1.00 0.00 N ATOM 273 CA ILE A 22 -4.479 6.075 -4.923 1.00 0.00 C ATOM 274 C ILE A 22 -5.520 5.304 -5.726 1.00 0.00 C ATOM 275 O ILE A 22 -6.625 5.049 -5.246 1.00 0.00 O ATOM 276 CB ILE A 22 -4.152 5.290 -3.639 1.00 0.00 C ATOM 277 CG1 ILE A 22 -3.071 6.013 -2.834 1.00 0.00 C ATOM 278 CG2 ILE A 22 -3.708 3.876 -3.982 1.00 0.00 C ATOM 279 CD1 ILE A 22 -2.503 5.184 -1.703 1.00 0.00 C ATOM 0 H ILE A 22 -5.755 7.462 -4.004 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.571 6.179 -5.517 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.053 5.229 -3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.261 6.301 -3.505 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.488 6.933 -2.425 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.480 3.333 -3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.507 3.364 -4.518 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.818 3.916 -4.610 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.742 5.760 -1.176 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.301 4.918 -1.010 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.055 4.276 -2.107 1.00 0.00 H new ATOM 291 N TRP A 23 -5.161 4.935 -6.950 1.00 0.00 N ATOM 292 CA TRP A 23 -6.064 4.190 -7.820 1.00 0.00 C ATOM 293 C TRP A 23 -5.416 2.895 -8.297 1.00 0.00 C ATOM 294 O TRP A 23 -4.226 2.670 -8.083 1.00 0.00 O ATOM 295 CB TRP A 23 -6.468 5.046 -9.022 1.00 0.00 C ATOM 296 CG TRP A 23 -5.364 5.228 -10.019 1.00 0.00 C ATOM 297 CD1 TRP A 23 -5.241 4.606 -11.228 1.00 0.00 C ATOM 298 CD2 TRP A 23 -4.228 6.090 -9.892 1.00 0.00 C ATOM 299 NE1 TRP A 23 -4.097 5.028 -11.860 1.00 0.00 N ATOM 300 CE2 TRP A 23 -3.458 5.939 -11.061 1.00 0.00 C ATOM 301 CE3 TRP A 23 -3.787 6.975 -8.904 1.00 0.00 C ATOM 302 CZ2 TRP A 23 -2.273 6.640 -11.267 1.00 0.00 C ATOM 303 CZ3 TRP A 23 -2.611 7.670 -9.110 1.00 0.00 C ATOM 304 CH2 TRP A 23 -1.865 7.500 -10.284 1.00 0.00 C ATOM 0 H TRP A 23 -4.251 5.139 -7.363 1.00 0.00 H new ATOM 0 HA TRP A 23 -6.956 3.938 -7.246 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -7.322 4.584 -9.517 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -6.794 6.024 -8.669 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -5.941 3.887 -11.629 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -3.775 4.714 -12.776 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -4.355 7.113 -7.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -1.696 6.510 -12.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -2.261 8.356 -8.353 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -0.950 8.059 -10.416 1.00 0.00 H new ATOM 315 N GLY A 24 -6.207 2.046 -8.946 1.00 0.00 N ATOM 316 CA GLY A 24 -5.692 0.784 -9.444 1.00 0.00 C ATOM 317 C GLY A 24 -6.642 -0.370 -9.192 1.00 0.00 C ATOM 318 O GLY A 24 -7.589 -0.263 -8.413 1.00 0.00 O ATOM 0 H GLY A 24 -7.196 2.210 -9.136 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.504 0.869 -10.514 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.734 0.573 -8.968 1.00 0.00 H new ATOM 322 N PRO A 25 -6.393 -1.504 -9.863 1.00 0.00 N ATOM 323 CA PRO A 25 -7.223 -2.704 -9.725 1.00 0.00 C ATOM 324 C PRO A 25 -7.067 -3.363 -8.359 1.00 0.00 C ATOM 325 O PRO A 25 -7.933 -4.120 -7.922 1.00 0.00 O ATOM 326 CB PRO A 25 -6.698 -3.627 -10.828 1.00 0.00 C ATOM 327 CG PRO A 25 -5.293 -3.185 -11.054 1.00 0.00 C ATOM 328 CD PRO A 25 -5.281 -1.702 -10.808 1.00 0.00 C ATOM 0 HA PRO A 25 -8.286 -2.477 -9.810 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.740 -4.673 -10.523 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.293 -3.536 -11.737 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.609 -3.698 -10.378 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.970 -3.415 -12.069 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.332 -1.372 -10.386 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.432 -1.140 -11.730 1.00 0.00 H new ATOM 336 N GLY A 26 -5.957 -3.070 -7.689 1.00 0.00 N ATOM 337 CA GLY A 26 -5.708 -3.643 -6.379 1.00 0.00 C ATOM 338 C GLY A 26 -6.948 -3.654 -5.506 1.00 0.00 C ATOM 339 O GLY A 26 -7.045 -4.441 -4.564 1.00 0.00 O ATOM 0 H GLY A 26 -5.226 -2.446 -8.030 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.340 -4.662 -6.496 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.922 -3.076 -5.881 1.00 0.00 H new ATOM 343 N LEU A 27 -7.897 -2.779 -5.819 1.00 0.00 N ATOM 344 CA LEU A 27 -9.137 -2.690 -5.055 1.00 0.00 C ATOM 345 C LEU A 27 -10.351 -2.757 -5.977 1.00 0.00 C ATOM 346 O LEU A 27 -11.231 -1.898 -5.926 1.00 0.00 O ATOM 347 CB LEU A 27 -9.168 -1.393 -4.245 1.00 0.00 C ATOM 348 CG LEU A 27 -7.812 -0.850 -3.795 1.00 0.00 C ATOM 349 CD1 LEU A 27 -7.858 0.665 -3.671 1.00 0.00 C ATOM 350 CD2 LEU A 27 -7.395 -1.483 -2.475 1.00 0.00 C ATOM 0 H LEU A 27 -7.832 -2.121 -6.596 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.176 -3.539 -4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.663 -0.627 -4.842 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.784 -1.555 -3.360 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.070 -1.110 -4.550 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.884 1.034 -3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.110 1.102 -4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.613 0.947 -2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.427 -1.085 -2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.138 -1.255 -1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.320 -2.564 -2.597 1.00 0.00 H new ATOM 362 N LYS A 28 -10.392 -3.783 -6.820 1.00 0.00 N ATOM 363 CA LYS A 28 -11.498 -3.965 -7.752 1.00 0.00 C ATOM 364 C LYS A 28 -12.233 -5.273 -7.475 1.00 0.00 C ATOM 365 O LYS A 28 -11.850 -6.035 -6.588 1.00 0.00 O ATOM 366 CB LYS A 28 -10.985 -3.951 -9.194 1.00 0.00 C ATOM 367 CG LYS A 28 -10.280 -5.234 -9.601 1.00 0.00 C ATOM 368 CD LYS A 28 -10.422 -5.499 -11.090 1.00 0.00 C ATOM 369 CE LYS A 28 -9.301 -4.842 -11.882 1.00 0.00 C ATOM 370 NZ LYS A 28 -9.495 -4.998 -13.350 1.00 0.00 N ATOM 0 H LYS A 28 -9.671 -4.502 -6.877 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.196 -3.140 -7.614 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.824 -3.778 -9.868 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.298 -3.114 -9.318 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.223 -5.168 -9.341 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.694 -6.072 -9.040 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.416 -6.574 -11.272 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.384 -5.122 -11.438 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.253 -3.782 -11.633 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.346 -5.281 -11.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.711 -4.537 -13.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.516 -6.009 -13.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.394 -4.557 -13.630 1.00 0.00 H new ATOM 384 N ALA A 29 -13.289 -5.526 -8.241 1.00 0.00 N ATOM 385 CA ALA A 29 -14.075 -6.743 -8.080 1.00 0.00 C ATOM 386 C ALA A 29 -13.275 -7.972 -8.498 1.00 0.00 C ATOM 387 O ALA A 29 -12.816 -8.742 -7.654 1.00 0.00 O ATOM 388 CB ALA A 29 -15.363 -6.650 -8.886 1.00 0.00 C ATOM 0 H ALA A 29 -13.620 -4.905 -8.979 1.00 0.00 H new ATOM 0 HA ALA A 29 -14.326 -6.847 -7.025 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.940 -7.566 -8.757 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -15.949 -5.799 -8.538 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -15.123 -6.518 -9.941 1.00 0.00 H new ATOM 394 N ASP A 30 -13.113 -8.151 -9.804 1.00 0.00 N ATOM 395 CA ASP A 30 -12.368 -9.287 -10.334 1.00 0.00 C ATOM 396 C ASP A 30 -10.887 -8.949 -10.471 1.00 0.00 C ATOM 397 O ASP A 30 -10.354 -8.881 -11.578 1.00 0.00 O ATOM 398 CB ASP A 30 -12.935 -9.708 -11.691 1.00 0.00 C ATOM 399 CG ASP A 30 -14.206 -10.524 -11.559 1.00 0.00 C ATOM 400 OD1 ASP A 30 -15.175 -10.020 -10.953 1.00 0.00 O ATOM 401 OD2 ASP A 30 -14.232 -11.666 -12.063 1.00 0.00 O ATOM 0 H ASP A 30 -13.488 -7.524 -10.516 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.470 -10.116 -9.633 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -13.138 -8.819 -12.288 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.187 -10.290 -12.229 1.00 0.00 H new ATOM 406 N VAL A 31 -10.226 -8.737 -9.337 1.00 0.00 N ATOM 407 CA VAL A 31 -8.806 -8.406 -9.329 1.00 0.00 C ATOM 408 C VAL A 31 -8.007 -9.398 -10.167 1.00 0.00 C ATOM 409 O VAL A 31 -8.572 -10.287 -10.803 1.00 0.00 O ATOM 410 CB VAL A 31 -8.241 -8.389 -7.896 1.00 0.00 C ATOM 411 CG1 VAL A 31 -8.842 -7.241 -7.099 1.00 0.00 C ATOM 412 CG2 VAL A 31 -8.499 -9.720 -7.207 1.00 0.00 C ATOM 0 H VAL A 31 -10.652 -8.789 -8.412 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.710 -7.410 -9.760 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.163 -8.237 -7.950 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.431 -7.245 -6.089 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.601 -6.295 -7.585 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.925 -7.359 -7.051 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -8.093 -9.691 -6.196 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.572 -9.905 -7.162 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.016 -10.520 -7.768 1.00 0.00 H new ATOM 422 N VAL A 32 -6.687 -9.238 -10.163 1.00 0.00 N ATOM 423 CA VAL A 32 -5.808 -10.121 -10.922 1.00 0.00 C ATOM 424 C VAL A 32 -5.621 -11.455 -10.209 1.00 0.00 C ATOM 425 O VAL A 32 -5.514 -11.508 -8.983 1.00 0.00 O ATOM 426 CB VAL A 32 -4.428 -9.476 -11.151 1.00 0.00 C ATOM 427 CG1 VAL A 32 -4.561 -8.210 -11.983 1.00 0.00 C ATOM 428 CG2 VAL A 32 -3.751 -9.181 -9.821 1.00 0.00 C ATOM 0 H VAL A 32 -6.203 -8.506 -9.643 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.286 -10.292 -11.887 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.804 -10.180 -11.702 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.576 -7.769 -12.134 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.001 -8.454 -12.950 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.201 -7.498 -11.462 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.777 -8.726 -10.001 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.370 -8.496 -9.242 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.620 -10.110 -9.266 1.00 0.00 H new ATOM 438 N LEU A 33 -5.583 -12.533 -10.985 1.00 0.00 N ATOM 439 CA LEU A 33 -5.408 -13.870 -10.429 1.00 0.00 C ATOM 440 C LEU A 33 -4.024 -14.025 -9.807 1.00 0.00 C ATOM 441 O LEU A 33 -3.876 -14.434 -8.655 1.00 0.00 O ATOM 442 CB LEU A 33 -5.613 -14.927 -11.515 1.00 0.00 C ATOM 443 CG LEU A 33 -6.332 -16.205 -11.082 1.00 0.00 C ATOM 444 CD1 LEU A 33 -6.994 -16.876 -12.276 1.00 0.00 C ATOM 445 CD2 LEU A 33 -5.361 -17.159 -10.403 1.00 0.00 C ATOM 0 H LEU A 33 -5.671 -12.507 -12.001 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.155 -14.012 -9.648 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.177 -14.476 -12.331 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.637 -15.201 -11.916 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.108 -15.937 -10.365 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.501 -17.784 -11.948 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.720 -16.195 -12.720 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.236 -17.131 -13.017 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.890 -18.063 -10.101 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.562 -17.420 -11.097 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.934 -16.678 -9.523 1.00 0.00 H new ATOM 457 N PRO A 34 -2.985 -13.689 -10.585 1.00 0.00 N ATOM 458 CA PRO A 34 -1.594 -13.779 -10.132 1.00 0.00 C ATOM 459 C PRO A 34 -1.262 -12.737 -9.069 1.00 0.00 C ATOM 460 O PRO A 34 -1.434 -12.978 -7.875 1.00 0.00 O ATOM 461 CB PRO A 34 -0.787 -13.520 -11.406 1.00 0.00 C ATOM 462 CG PRO A 34 -1.695 -12.715 -12.272 1.00 0.00 C ATOM 463 CD PRO A 34 -3.088 -13.194 -11.969 1.00 0.00 C ATOM 0 HA PRO A 34 -1.380 -14.740 -9.664 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.134 -12.980 -11.188 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.502 -14.454 -11.891 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.594 -11.651 -12.061 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.455 -12.855 -13.326 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.817 -12.389 -12.054 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -3.400 -13.981 -12.655 1.00 0.00 H new ATOM 471 N ALA A 35 -0.785 -11.578 -9.513 1.00 0.00 N ATOM 472 CA ALA A 35 -0.432 -10.498 -8.600 1.00 0.00 C ATOM 473 C ALA A 35 -0.949 -9.157 -9.110 1.00 0.00 C ATOM 474 O ALA A 35 -1.135 -8.969 -10.312 1.00 0.00 O ATOM 475 CB ALA A 35 1.076 -10.445 -8.404 1.00 0.00 C ATOM 0 H ALA A 35 -0.634 -11.364 -10.499 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.906 -10.698 -7.639 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.326 -9.634 -7.720 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.422 -11.391 -7.987 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.562 -10.272 -9.364 1.00 0.00 H new ATOM 481 N ARG A 36 -1.179 -8.228 -8.188 1.00 0.00 N ATOM 482 CA ARG A 36 -1.676 -6.905 -8.544 1.00 0.00 C ATOM 483 C ARG A 36 -0.696 -5.820 -8.107 1.00 0.00 C ATOM 484 O ARG A 36 0.008 -5.970 -7.109 1.00 0.00 O ATOM 485 CB ARG A 36 -3.043 -6.660 -7.903 1.00 0.00 C ATOM 486 CG ARG A 36 -2.977 -6.403 -6.406 1.00 0.00 C ATOM 487 CD ARG A 36 -2.802 -4.923 -6.103 1.00 0.00 C ATOM 488 NE ARG A 36 -3.209 -4.592 -4.740 1.00 0.00 N ATOM 489 CZ ARG A 36 -2.441 -4.790 -3.675 1.00 0.00 C ATOM 490 NH1 ARG A 36 -1.231 -5.314 -3.814 1.00 0.00 N ATOM 491 NH2 ARG A 36 -2.882 -4.463 -2.467 1.00 0.00 N ATOM 0 H ARG A 36 -1.029 -8.367 -7.189 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.778 -6.863 -9.628 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.515 -5.806 -8.389 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.681 -7.524 -8.087 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.889 -6.767 -5.932 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.148 -6.964 -5.975 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.758 -4.644 -6.248 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.389 -4.336 -6.809 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.134 -4.186 -4.598 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.888 -5.566 -4.741 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.643 -5.465 -2.994 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.812 -4.059 -2.356 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.291 -4.616 -1.650 1.00 0.00 H new ATOM 505 N TYR A 37 -0.656 -4.727 -8.862 1.00 0.00 N ATOM 506 CA TYR A 37 0.239 -3.618 -8.555 1.00 0.00 C ATOM 507 C TYR A 37 -0.400 -2.283 -8.924 1.00 0.00 C ATOM 508 O TYR A 37 -0.893 -2.105 -10.039 1.00 0.00 O ATOM 509 CB TYR A 37 1.565 -3.785 -9.299 1.00 0.00 C ATOM 510 CG TYR A 37 1.476 -3.466 -10.774 1.00 0.00 C ATOM 511 CD1 TYR A 37 1.104 -4.438 -11.694 1.00 0.00 C ATOM 512 CD2 TYR A 37 1.762 -2.191 -11.247 1.00 0.00 C ATOM 513 CE1 TYR A 37 1.022 -4.151 -13.043 1.00 0.00 C ATOM 514 CE2 TYR A 37 1.682 -1.895 -12.594 1.00 0.00 C ATOM 515 CZ TYR A 37 1.312 -2.878 -13.488 1.00 0.00 C ATOM 516 OH TYR A 37 1.230 -2.588 -14.831 1.00 0.00 O ATOM 0 H TYR A 37 -1.233 -4.586 -9.691 1.00 0.00 H new ATOM 0 HA TYR A 37 0.429 -3.624 -7.482 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.313 -3.138 -8.841 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.913 -4.811 -9.178 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.875 -5.435 -11.349 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.052 -1.419 -10.550 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.733 -4.919 -13.745 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.908 -0.899 -12.945 1.00 0.00 H new ATOM 0 HH TYR A 37 0.547 -3.155 -15.247 1.00 0.00 H new ATOM 526 N PHE A 38 -0.389 -1.348 -7.981 1.00 0.00 N ATOM 527 CA PHE A 38 -0.967 -0.028 -8.205 1.00 0.00 C ATOM 528 C PHE A 38 0.099 1.059 -8.096 1.00 0.00 C ATOM 529 O PHE A 38 1.239 0.789 -7.719 1.00 0.00 O ATOM 530 CB PHE A 38 -2.088 0.239 -7.199 1.00 0.00 C ATOM 531 CG PHE A 38 -1.641 0.158 -5.767 1.00 0.00 C ATOM 532 CD1 PHE A 38 -1.342 -1.065 -5.189 1.00 0.00 C ATOM 533 CD2 PHE A 38 -1.518 1.305 -5.000 1.00 0.00 C ATOM 534 CE1 PHE A 38 -0.930 -1.143 -3.872 1.00 0.00 C ATOM 535 CE2 PHE A 38 -1.105 1.234 -3.683 1.00 0.00 C ATOM 536 CZ PHE A 38 -0.812 0.008 -3.118 1.00 0.00 C ATOM 0 H PHE A 38 0.014 -1.480 -7.053 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.380 -0.007 -9.213 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.505 1.229 -7.386 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.890 -0.480 -7.362 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.432 -1.968 -5.774 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.748 2.266 -5.436 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.701 -2.103 -3.433 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.011 2.136 -3.096 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.491 -0.050 -2.088 1.00 0.00 H new ATOM 546 N TYR A 39 -0.282 2.287 -8.430 1.00 0.00 N ATOM 547 CA TYR A 39 0.641 3.415 -8.373 1.00 0.00 C ATOM 548 C TYR A 39 0.234 4.396 -7.278 1.00 0.00 C ATOM 549 O TYR A 39 -0.952 4.590 -7.012 1.00 0.00 O ATOM 550 CB TYR A 39 0.688 4.131 -9.724 1.00 0.00 C ATOM 551 CG TYR A 39 0.704 3.190 -10.908 1.00 0.00 C ATOM 552 CD1 TYR A 39 1.815 2.401 -11.178 1.00 0.00 C ATOM 553 CD2 TYR A 39 -0.393 3.090 -11.755 1.00 0.00 C ATOM 554 CE1 TYR A 39 1.834 1.541 -12.259 1.00 0.00 C ATOM 555 CE2 TYR A 39 -0.383 2.232 -12.838 1.00 0.00 C ATOM 556 CZ TYR A 39 0.733 1.459 -13.086 1.00 0.00 C ATOM 557 OH TYR A 39 0.747 0.603 -14.162 1.00 0.00 O ATOM 0 H TYR A 39 -1.223 2.527 -8.743 1.00 0.00 H new ATOM 0 HA TYR A 39 1.633 3.029 -8.140 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.176 4.791 -9.806 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.576 4.762 -9.760 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.678 2.461 -10.532 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.268 3.693 -11.564 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.707 0.936 -12.456 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.244 2.167 -13.487 1.00 0.00 H new ATOM 0 HH TYR A 39 0.766 -0.323 -13.843 1.00 0.00 H new ATOM 567 N ILE A 40 1.228 5.014 -6.648 1.00 0.00 N ATOM 568 CA ILE A 40 0.975 5.977 -5.584 1.00 0.00 C ATOM 569 C ILE A 40 1.422 7.377 -5.991 1.00 0.00 C ATOM 570 O ILE A 40 2.613 7.685 -5.984 1.00 0.00 O ATOM 571 CB ILE A 40 1.695 5.579 -4.282 1.00 0.00 C ATOM 572 CG1 ILE A 40 1.093 4.293 -3.713 1.00 0.00 C ATOM 573 CG2 ILE A 40 1.610 6.706 -3.264 1.00 0.00 C ATOM 574 CD1 ILE A 40 1.973 3.617 -2.685 1.00 0.00 C ATOM 0 H ILE A 40 2.215 4.865 -6.856 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.101 5.978 -5.409 1.00 0.00 H new ATOM 0 HB ILE A 40 2.746 5.397 -4.506 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.129 4.523 -3.259 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.903 3.598 -4.531 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.123 6.410 -2.349 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.081 7.600 -3.671 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.564 6.917 -3.041 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.483 2.712 -2.325 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.929 3.356 -3.139 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.142 4.295 -1.849 1.00 0.00 H new ATOM 586 N GLN A 41 0.457 8.220 -6.344 1.00 0.00 N ATOM 587 CA GLN A 41 0.752 9.588 -6.754 1.00 0.00 C ATOM 588 C GLN A 41 0.766 10.526 -5.551 1.00 0.00 C ATOM 589 O GLN A 41 -0.002 10.350 -4.606 1.00 0.00 O ATOM 590 CB GLN A 41 -0.277 10.070 -7.778 1.00 0.00 C ATOM 591 CG GLN A 41 -0.185 11.556 -8.081 1.00 0.00 C ATOM 592 CD GLN A 41 1.007 11.902 -8.950 1.00 0.00 C ATOM 593 OE1 GLN A 41 1.098 11.470 -10.100 1.00 0.00 O ATOM 594 NE2 GLN A 41 1.930 12.686 -8.405 1.00 0.00 N ATOM 0 H GLN A 41 -0.534 7.980 -6.354 1.00 0.00 H new ATOM 0 HA GLN A 41 1.741 9.597 -7.211 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.145 9.510 -8.704 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.277 9.844 -7.409 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.099 11.878 -8.580 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.120 12.110 -7.145 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.814 13.021 -7.449 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.755 12.953 -8.943 1.00 0.00 H new ATOM 603 N ALA A 42 1.646 11.521 -5.593 1.00 0.00 N ATOM 604 CA ALA A 42 1.760 12.487 -4.507 1.00 0.00 C ATOM 605 C ALA A 42 1.048 13.790 -4.855 1.00 0.00 C ATOM 606 O ALA A 42 1.128 14.270 -5.985 1.00 0.00 O ATOM 607 CB ALA A 42 3.223 12.752 -4.187 1.00 0.00 C ATOM 0 H ALA A 42 2.291 11.679 -6.368 1.00 0.00 H new ATOM 0 HA ALA A 42 1.278 12.064 -3.626 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.293 13.475 -3.374 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.704 11.821 -3.887 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.722 13.150 -5.070 1.00 0.00 H new ATOM 613 N VAL A 43 0.350 14.357 -3.876 1.00 0.00 N ATOM 614 CA VAL A 43 -0.376 15.605 -4.078 1.00 0.00 C ATOM 615 C VAL A 43 -0.010 16.633 -3.014 1.00 0.00 C ATOM 616 O VAL A 43 0.339 16.278 -1.887 1.00 0.00 O ATOM 617 CB VAL A 43 -1.899 15.378 -4.055 1.00 0.00 C ATOM 618 CG1 VAL A 43 -2.638 16.707 -4.089 1.00 0.00 C ATOM 619 CG2 VAL A 43 -2.324 14.494 -5.218 1.00 0.00 C ATOM 0 H VAL A 43 0.272 13.972 -2.935 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.087 15.984 -5.058 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.158 14.868 -3.127 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.713 16.526 -4.072 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.356 17.302 -3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.375 17.246 -4.999 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.403 14.344 -5.186 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.052 14.974 -6.158 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.822 13.530 -5.144 1.00 0.00 H new ATOM 629 N ASP A 44 -0.092 17.908 -3.377 1.00 0.00 N ATOM 630 CA ASP A 44 0.229 18.989 -2.452 1.00 0.00 C ATOM 631 C ASP A 44 -1.017 19.448 -1.701 1.00 0.00 C ATOM 632 O ASP A 44 -2.135 19.046 -2.024 1.00 0.00 O ATOM 633 CB ASP A 44 0.848 20.166 -3.206 1.00 0.00 C ATOM 634 CG ASP A 44 1.571 21.128 -2.284 1.00 0.00 C ATOM 635 OD1 ASP A 44 2.472 20.678 -1.546 1.00 0.00 O ATOM 636 OD2 ASP A 44 1.236 22.331 -2.300 1.00 0.00 O ATOM 0 H ASP A 44 -0.378 18.219 -4.305 1.00 0.00 H new ATOM 0 HA ASP A 44 0.951 18.613 -1.727 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.547 19.788 -3.953 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.065 20.701 -3.744 1.00 0.00 H new ATOM 641 N THR A 45 -0.816 20.294 -0.694 1.00 0.00 N ATOM 642 CA THR A 45 -1.921 20.806 0.105 1.00 0.00 C ATOM 643 C THR A 45 -2.896 21.606 -0.752 1.00 0.00 C ATOM 644 O THR A 45 -4.002 21.926 -0.317 1.00 0.00 O ATOM 645 CB THR A 45 -1.417 21.698 1.255 1.00 0.00 C ATOM 646 OG1 THR A 45 -0.550 22.716 0.742 1.00 0.00 O ATOM 647 CG2 THR A 45 -0.676 20.872 2.296 1.00 0.00 C ATOM 0 H THR A 45 0.102 20.638 -0.414 1.00 0.00 H new ATOM 0 HA THR A 45 -2.435 19.941 0.524 1.00 0.00 H new ATOM 0 HB THR A 45 -2.281 22.162 1.730 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.235 23.280 1.479 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.330 21.524 3.098 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.347 20.117 2.706 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.180 20.383 1.831 1.00 0.00 H new ATOM 655 N SER A 46 -2.478 21.925 -1.973 1.00 0.00 N ATOM 656 CA SER A 46 -3.314 22.690 -2.891 1.00 0.00 C ATOM 657 C SER A 46 -3.809 21.811 -4.036 1.00 0.00 C ATOM 658 O SER A 46 -4.245 22.310 -5.073 1.00 0.00 O ATOM 659 CB SER A 46 -2.535 23.883 -3.449 1.00 0.00 C ATOM 660 OG SER A 46 -2.648 25.009 -2.597 1.00 0.00 O ATOM 0 H SER A 46 -1.566 21.666 -2.349 1.00 0.00 H new ATOM 0 HA SER A 46 -4.179 23.056 -2.337 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.485 23.614 -3.564 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.910 24.134 -4.441 1.00 0.00 H new ATOM 0 HG SER A 46 -2.140 25.757 -2.975 1.00 0.00 H new ATOM 666 N GLY A 47 -3.738 20.498 -3.839 1.00 0.00 N ATOM 667 CA GLY A 47 -4.182 19.569 -4.862 1.00 0.00 C ATOM 668 C GLY A 47 -3.356 19.666 -6.130 1.00 0.00 C ATOM 669 O GLY A 47 -3.895 19.610 -7.235 1.00 0.00 O ATOM 0 H GLY A 47 -3.381 20.061 -2.989 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.128 18.552 -4.473 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.228 19.765 -5.097 1.00 0.00 H new ATOM 673 N ASN A 48 -2.045 19.813 -5.971 1.00 0.00 N ATOM 674 CA ASN A 48 -1.144 19.920 -7.113 1.00 0.00 C ATOM 675 C ASN A 48 -0.311 18.651 -7.269 1.00 0.00 C ATOM 676 O ASN A 48 0.260 18.147 -6.301 1.00 0.00 O ATOM 677 CB ASN A 48 -0.223 21.131 -6.950 1.00 0.00 C ATOM 678 CG ASN A 48 -0.972 22.445 -7.067 1.00 0.00 C ATOM 679 OD1 ASN A 48 -1.295 22.893 -8.167 1.00 0.00 O ATOM 680 ND2 ASN A 48 -1.250 23.070 -5.929 1.00 0.00 N ATOM 0 H ASN A 48 -1.583 19.861 -5.063 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.748 20.049 -8.011 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.270 21.082 -5.979 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.560 21.093 -7.707 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.751 23.959 -5.944 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.963 22.662 -5.040 1.00 0.00 H new ATOM 687 N LYS A 49 -0.244 18.141 -8.494 1.00 0.00 N ATOM 688 CA LYS A 49 0.520 16.932 -8.779 1.00 0.00 C ATOM 689 C LYS A 49 2.019 17.200 -8.680 1.00 0.00 C ATOM 690 O LYS A 49 2.561 18.029 -9.412 1.00 0.00 O ATOM 691 CB LYS A 49 0.177 16.404 -10.174 1.00 0.00 C ATOM 692 CG LYS A 49 -1.079 15.550 -10.209 1.00 0.00 C ATOM 693 CD LYS A 49 -1.594 15.375 -11.627 1.00 0.00 C ATOM 694 CE LYS A 49 -2.585 14.224 -11.722 1.00 0.00 C ATOM 695 NZ LYS A 49 -3.455 14.339 -12.925 1.00 0.00 N ATOM 0 H LYS A 49 -0.710 18.546 -9.306 1.00 0.00 H new ATOM 0 HA LYS A 49 0.253 16.180 -8.037 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.051 17.248 -10.852 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.016 15.817 -10.548 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.868 14.573 -9.774 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.852 16.012 -9.595 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.072 16.297 -11.958 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.756 15.192 -12.300 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.042 13.279 -11.755 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.205 14.204 -10.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.116 13.536 -12.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.992 15.228 -12.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.865 14.333 -13.782 1.00 0.00 H new ATOM 709 N PHE A 50 2.683 16.493 -7.772 1.00 0.00 N ATOM 710 CA PHE A 50 4.119 16.655 -7.578 1.00 0.00 C ATOM 711 C PHE A 50 4.885 16.276 -8.843 1.00 0.00 C ATOM 712 O PHE A 50 5.736 17.029 -9.317 1.00 0.00 O ATOM 713 CB PHE A 50 4.596 15.798 -6.404 1.00 0.00 C ATOM 714 CG PHE A 50 4.551 16.513 -5.083 1.00 0.00 C ATOM 715 CD1 PHE A 50 3.372 17.081 -4.628 1.00 0.00 C ATOM 716 CD2 PHE A 50 5.688 16.617 -4.298 1.00 0.00 C ATOM 717 CE1 PHE A 50 3.327 17.738 -3.413 1.00 0.00 C ATOM 718 CE2 PHE A 50 5.649 17.273 -3.082 1.00 0.00 C ATOM 719 CZ PHE A 50 4.468 17.836 -2.640 1.00 0.00 C ATOM 0 H PHE A 50 2.250 15.802 -7.159 1.00 0.00 H new ATOM 0 HA PHE A 50 4.314 17.704 -7.356 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.979 14.902 -6.344 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.617 15.469 -6.596 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.478 17.010 -5.230 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.615 16.181 -4.640 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.401 18.174 -3.068 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.541 17.345 -2.478 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.436 18.352 -1.692 1.00 0.00 H new ATOM 729 N THR A 51 4.576 15.102 -9.385 1.00 0.00 N ATOM 730 CA THR A 51 5.235 14.621 -10.593 1.00 0.00 C ATOM 731 C THR A 51 6.751 14.723 -10.470 1.00 0.00 C ATOM 732 O THR A 51 7.452 14.912 -11.463 1.00 0.00 O ATOM 733 CB THR A 51 4.777 15.410 -11.834 1.00 0.00 C ATOM 734 OG1 THR A 51 5.117 16.794 -11.688 1.00 0.00 O ATOM 735 CG2 THR A 51 3.277 15.270 -12.041 1.00 0.00 C ATOM 0 H THR A 51 3.873 14.467 -9.006 1.00 0.00 H new ATOM 0 HA THR A 51 4.953 13.575 -10.712 1.00 0.00 H new ATOM 0 HB THR A 51 5.288 15.001 -12.706 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.768 16.896 -10.963 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.977 15.836 -12.923 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.026 14.219 -12.181 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.752 15.655 -11.167 1.00 0.00 H new ATOM 743 N SER A 52 7.250 14.597 -9.245 1.00 0.00 N ATOM 744 CA SER A 52 8.684 14.678 -8.992 1.00 0.00 C ATOM 745 C SER A 52 9.156 13.492 -8.155 1.00 0.00 C ATOM 746 O SER A 52 8.357 12.652 -7.743 1.00 0.00 O ATOM 747 CB SER A 52 9.024 15.988 -8.278 1.00 0.00 C ATOM 748 OG SER A 52 8.482 16.011 -6.969 1.00 0.00 O ATOM 0 H SER A 52 6.683 14.438 -8.412 1.00 0.00 H new ATOM 0 HA SER A 52 9.200 14.651 -9.952 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.106 16.109 -8.229 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.635 16.830 -8.851 1.00 0.00 H new ATOM 0 HG SER A 52 9.054 16.554 -6.388 1.00 0.00 H new ATOM 754 N SER A 53 10.461 13.432 -7.909 1.00 0.00 N ATOM 755 CA SER A 53 11.042 12.348 -7.125 1.00 0.00 C ATOM 756 C SER A 53 11.310 12.797 -5.692 1.00 0.00 C ATOM 757 O SER A 53 12.263 13.524 -5.410 1.00 0.00 O ATOM 758 CB SER A 53 12.341 11.863 -7.771 1.00 0.00 C ATOM 759 OG SER A 53 13.282 12.917 -7.879 1.00 0.00 O ATOM 0 H SER A 53 11.136 14.121 -8.241 1.00 0.00 H new ATOM 0 HA SER A 53 10.327 11.526 -7.102 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.765 11.052 -7.178 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.129 11.458 -8.760 1.00 0.00 H new ATOM 0 HG SER A 53 13.267 13.455 -7.060 1.00 0.00 H new ATOM 765 N PRO A 54 10.450 12.355 -4.763 1.00 0.00 N ATOM 766 CA PRO A 54 10.572 12.697 -3.343 1.00 0.00 C ATOM 767 C PRO A 54 11.776 12.029 -2.688 1.00 0.00 C ATOM 768 O PRO A 54 12.559 12.679 -1.997 1.00 0.00 O ATOM 769 CB PRO A 54 9.270 12.168 -2.737 1.00 0.00 C ATOM 770 CG PRO A 54 8.844 11.073 -3.653 1.00 0.00 C ATOM 771 CD PRO A 54 9.291 11.485 -5.028 1.00 0.00 C ATOM 0 HA PRO A 54 10.724 13.766 -3.192 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.426 11.798 -1.724 1.00 0.00 H new ATOM 0 HB3 PRO A 54 8.514 12.951 -2.677 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.296 10.124 -3.364 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.763 10.934 -3.619 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.566 10.623 -5.636 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.504 12.016 -5.564 1.00 0.00 H new ATOM 779 N GLY A 55 11.917 10.726 -2.909 1.00 0.00 N ATOM 780 CA GLY A 55 13.028 9.992 -2.333 1.00 0.00 C ATOM 781 C GLY A 55 12.968 8.509 -2.644 1.00 0.00 C ATOM 782 O GLY A 55 11.994 8.030 -3.224 1.00 0.00 O ATOM 0 H GLY A 55 11.282 10.165 -3.477 1.00 0.00 H new ATOM 0 HA2 GLY A 55 13.965 10.402 -2.711 1.00 0.00 H new ATOM 0 HA3 GLY A 55 13.031 10.133 -1.252 1.00 0.00 H new ATOM 786 N GLU A 56 14.012 7.782 -2.260 1.00 0.00 N ATOM 787 CA GLU A 56 14.074 6.346 -2.504 1.00 0.00 C ATOM 788 C GLU A 56 12.945 5.621 -1.777 1.00 0.00 C ATOM 789 O GLU A 56 12.219 4.823 -2.371 1.00 0.00 O ATOM 790 CB GLU A 56 15.426 5.787 -2.056 1.00 0.00 C ATOM 791 CG GLU A 56 15.757 6.088 -0.604 1.00 0.00 C ATOM 792 CD GLU A 56 17.158 5.652 -0.223 1.00 0.00 C ATOM 793 OE1 GLU A 56 17.460 4.447 -0.353 1.00 0.00 O ATOM 794 OE2 GLU A 56 17.953 6.515 0.205 1.00 0.00 O ATOM 0 H GLU A 56 14.826 8.164 -1.779 1.00 0.00 H new ATOM 0 HA GLU A 56 13.958 6.181 -3.575 1.00 0.00 H new ATOM 0 HB2 GLU A 56 15.431 4.707 -2.205 1.00 0.00 H new ATOM 0 HB3 GLU A 56 16.209 6.200 -2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 56 15.652 7.158 -0.426 1.00 0.00 H new ATOM 0 HG3 GLU A 56 15.036 5.585 0.041 1.00 0.00 H new ATOM 801 N LYS A 57 12.802 5.904 -0.487 1.00 0.00 N ATOM 802 CA LYS A 57 11.763 5.282 0.324 1.00 0.00 C ATOM 803 C LYS A 57 11.035 6.322 1.169 1.00 0.00 C ATOM 804 O LYS A 57 11.518 6.725 2.227 1.00 0.00 O ATOM 805 CB LYS A 57 12.368 4.207 1.229 1.00 0.00 C ATOM 806 CG LYS A 57 12.821 2.965 0.480 1.00 0.00 C ATOM 807 CD LYS A 57 11.639 2.139 0.004 1.00 0.00 C ATOM 808 CE LYS A 57 11.005 1.361 1.148 1.00 0.00 C ATOM 809 NZ LYS A 57 11.685 0.056 1.375 1.00 0.00 N ATOM 0 H LYS A 57 13.394 6.562 0.020 1.00 0.00 H new ATOM 0 HA LYS A 57 11.042 4.818 -0.349 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.219 4.630 1.762 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.632 3.920 1.980 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.430 3.257 -0.376 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.453 2.358 1.129 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.895 2.794 -0.448 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.967 1.446 -0.771 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.048 1.956 2.060 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.951 1.188 0.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.224 -0.443 2.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.622 -0.523 0.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.685 0.222 1.609 1.00 0.00 H new ATOM 823 N VAL A 58 9.870 6.753 0.695 1.00 0.00 N ATOM 824 CA VAL A 58 9.075 7.745 1.408 1.00 0.00 C ATOM 825 C VAL A 58 7.685 7.207 1.731 1.00 0.00 C ATOM 826 O VAL A 58 7.086 7.572 2.742 1.00 0.00 O ATOM 827 CB VAL A 58 8.933 9.044 0.592 1.00 0.00 C ATOM 828 CG1 VAL A 58 10.290 9.705 0.402 1.00 0.00 C ATOM 829 CG2 VAL A 58 8.276 8.760 -0.750 1.00 0.00 C ATOM 0 H VAL A 58 9.456 6.430 -0.180 1.00 0.00 H new ATOM 0 HA VAL A 58 9.602 7.964 2.337 1.00 0.00 H new ATOM 0 HB VAL A 58 8.294 9.733 1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 58 10.171 10.621 -0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 58 10.718 9.944 1.376 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.955 9.024 -0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.183 9.688 -1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.887 8.054 -1.312 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.286 8.334 -0.588 1.00 0.00 H new ATOM 839 N PHE A 59 7.178 6.336 0.864 1.00 0.00 N ATOM 840 CA PHE A 59 5.858 5.747 1.056 1.00 0.00 C ATOM 841 C PHE A 59 5.964 4.244 1.302 1.00 0.00 C ATOM 842 O PHE A 59 6.579 3.519 0.520 1.00 0.00 O ATOM 843 CB PHE A 59 4.975 6.014 -0.164 1.00 0.00 C ATOM 844 CG PHE A 59 4.513 7.439 -0.269 1.00 0.00 C ATOM 845 CD1 PHE A 59 3.804 8.030 0.765 1.00 0.00 C ATOM 846 CD2 PHE A 59 4.789 8.189 -1.401 1.00 0.00 C ATOM 847 CE1 PHE A 59 3.378 9.341 0.671 1.00 0.00 C ATOM 848 CE2 PHE A 59 4.366 9.501 -1.500 1.00 0.00 C ATOM 849 CZ PHE A 59 3.658 10.078 -0.463 1.00 0.00 C ATOM 0 H PHE A 59 7.661 6.023 0.022 1.00 0.00 H new ATOM 0 HA PHE A 59 5.405 6.210 1.932 1.00 0.00 H new ATOM 0 HB2 PHE A 59 5.527 5.752 -1.067 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.104 5.360 -0.122 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.582 7.459 1.654 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.341 7.743 -2.215 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.826 9.789 1.484 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.589 10.075 -2.387 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.325 11.102 -0.539 1.00 0.00 H new ATOM 859 N GLN A 60 5.361 3.786 2.394 1.00 0.00 N ATOM 860 CA GLN A 60 5.388 2.370 2.744 1.00 0.00 C ATOM 861 C GLN A 60 3.983 1.778 2.725 1.00 0.00 C ATOM 862 O GLN A 60 3.003 2.469 3.000 1.00 0.00 O ATOM 863 CB GLN A 60 6.017 2.177 4.125 1.00 0.00 C ATOM 864 CG GLN A 60 6.277 0.721 4.477 1.00 0.00 C ATOM 865 CD GLN A 60 6.586 0.522 5.947 1.00 0.00 C ATOM 866 OE1 GLN A 60 6.683 1.484 6.709 1.00 0.00 O ATOM 867 NE2 GLN A 60 6.742 -0.732 6.355 1.00 0.00 N ATOM 0 H GLN A 60 4.848 4.374 3.051 1.00 0.00 H new ATOM 0 HA GLN A 60 5.992 1.849 2.001 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.958 2.726 4.166 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.360 2.613 4.878 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.404 0.125 4.209 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.111 0.351 3.881 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.653 -1.500 5.689 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.951 -0.928 7.334 1.00 0.00 H new ATOM 876 N VAL A 61 3.893 0.493 2.396 1.00 0.00 N ATOM 877 CA VAL A 61 2.608 -0.194 2.342 1.00 0.00 C ATOM 878 C VAL A 61 2.625 -1.461 3.189 1.00 0.00 C ATOM 879 O VAL A 61 3.645 -2.144 3.285 1.00 0.00 O ATOM 880 CB VAL A 61 2.230 -0.562 0.895 1.00 0.00 C ATOM 881 CG1 VAL A 61 0.850 -1.201 0.849 1.00 0.00 C ATOM 882 CG2 VAL A 61 2.286 0.667 0.000 1.00 0.00 C ATOM 0 H VAL A 61 4.695 -0.093 2.163 1.00 0.00 H new ATOM 0 HA VAL A 61 1.864 0.495 2.741 1.00 0.00 H new ATOM 0 HB VAL A 61 2.953 -1.288 0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.600 -1.454 -0.181 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.848 -2.107 1.456 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.112 -0.501 1.240 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.016 0.388 -1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.586 1.417 0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.296 1.077 0.008 1.00 0.00 H new ATOM 892 N LYS A 62 1.488 -1.771 3.803 1.00 0.00 N ATOM 893 CA LYS A 62 1.370 -2.958 4.641 1.00 0.00 C ATOM 894 C LYS A 62 0.246 -3.864 4.148 1.00 0.00 C ATOM 895 O LYS A 62 -0.792 -3.387 3.689 1.00 0.00 O ATOM 896 CB LYS A 62 1.114 -2.556 6.096 1.00 0.00 C ATOM 897 CG LYS A 62 0.890 -3.739 7.023 1.00 0.00 C ATOM 898 CD LYS A 62 2.190 -4.210 7.650 1.00 0.00 C ATOM 899 CE LYS A 62 2.853 -5.293 6.812 1.00 0.00 C ATOM 900 NZ LYS A 62 2.240 -6.630 7.047 1.00 0.00 N ATOM 0 H LYS A 62 0.635 -1.216 3.736 1.00 0.00 H new ATOM 0 HA LYS A 62 2.309 -3.509 4.581 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.963 -1.976 6.459 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.242 -1.903 6.136 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.187 -3.459 7.808 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.436 -4.558 6.466 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.870 -3.365 7.758 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.994 -4.592 8.652 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.771 -5.036 5.756 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.916 -5.335 7.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.975 -7.364 6.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.804 -6.651 7.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.513 -6.810 6.326 1.00 0.00 H new ATOM 914 N VAL A 63 0.460 -5.172 4.247 1.00 0.00 N ATOM 915 CA VAL A 63 -0.536 -6.144 3.813 1.00 0.00 C ATOM 916 C VAL A 63 -0.895 -7.104 4.941 1.00 0.00 C ATOM 917 O VAL A 63 -0.078 -7.928 5.353 1.00 0.00 O ATOM 918 CB VAL A 63 -0.038 -6.956 2.602 1.00 0.00 C ATOM 919 CG1 VAL A 63 -0.989 -8.104 2.301 1.00 0.00 C ATOM 920 CG2 VAL A 63 0.123 -6.054 1.387 1.00 0.00 C ATOM 0 H VAL A 63 1.314 -5.583 4.624 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.423 -5.580 3.523 1.00 0.00 H new ATOM 0 HB VAL A 63 0.937 -7.378 2.845 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.621 -8.666 1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.050 -8.763 3.167 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.979 -7.707 2.077 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.475 -6.643 0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.837 -5.602 1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.847 -5.270 1.609 1.00 0.00 H new ATOM 930 N SER A 64 -2.123 -6.993 5.438 1.00 0.00 N ATOM 931 CA SER A 64 -2.590 -7.849 6.522 1.00 0.00 C ATOM 932 C SER A 64 -3.885 -8.557 6.135 1.00 0.00 C ATOM 933 O SER A 64 -4.746 -7.981 5.470 1.00 0.00 O ATOM 934 CB SER A 64 -2.806 -7.026 7.793 1.00 0.00 C ATOM 935 OG SER A 64 -1.603 -6.402 8.207 1.00 0.00 O ATOM 0 H SER A 64 -2.813 -6.318 5.107 1.00 0.00 H new ATOM 0 HA SER A 64 -1.826 -8.603 6.711 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.569 -6.269 7.614 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.177 -7.671 8.589 1.00 0.00 H new ATOM 0 HG SER A 64 -1.768 -5.881 9.020 1.00 0.00 H new ATOM 941 N ALA A 65 -4.015 -9.811 6.557 1.00 0.00 N ATOM 942 CA ALA A 65 -5.205 -10.598 6.258 1.00 0.00 C ATOM 943 C ALA A 65 -5.902 -11.048 7.538 1.00 0.00 C ATOM 944 O ALA A 65 -5.263 -11.399 8.530 1.00 0.00 O ATOM 945 CB ALA A 65 -4.839 -11.802 5.402 1.00 0.00 C ATOM 0 H ALA A 65 -3.311 -10.303 7.107 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.898 -9.967 5.701 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.737 -12.381 5.186 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.393 -11.462 4.467 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.125 -12.426 5.939 1.00 0.00 H new ATOM 951 N PRO A 66 -7.243 -11.037 7.517 1.00 0.00 N ATOM 952 CA PRO A 66 -8.055 -11.442 8.668 1.00 0.00 C ATOM 953 C PRO A 66 -7.974 -12.940 8.938 1.00 0.00 C ATOM 954 O PRO A 66 -7.927 -13.371 10.090 1.00 0.00 O ATOM 955 CB PRO A 66 -9.476 -11.049 8.255 1.00 0.00 C ATOM 956 CG PRO A 66 -9.454 -11.061 6.765 1.00 0.00 C ATOM 957 CD PRO A 66 -8.069 -10.631 6.368 1.00 0.00 C ATOM 0 HA PRO A 66 -7.718 -10.969 9.591 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -10.211 -11.753 8.646 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.742 -10.064 8.639 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.680 -12.055 6.379 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.205 -10.383 6.358 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.745 -11.118 5.448 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.016 -9.556 6.195 1.00 0.00 H new ATOM 965 N GLU A 67 -7.957 -13.729 7.868 1.00 0.00 N ATOM 966 CA GLU A 67 -7.881 -15.180 7.991 1.00 0.00 C ATOM 967 C GLU A 67 -6.907 -15.583 9.095 1.00 0.00 C ATOM 968 O GLU A 67 -7.316 -16.060 10.153 1.00 0.00 O ATOM 969 CB GLU A 67 -7.449 -15.805 6.663 1.00 0.00 C ATOM 970 CG GLU A 67 -7.181 -17.298 6.751 1.00 0.00 C ATOM 971 CD GLU A 67 -6.571 -17.858 5.481 1.00 0.00 C ATOM 972 OE1 GLU A 67 -5.369 -17.615 5.242 1.00 0.00 O ATOM 973 OE2 GLU A 67 -7.296 -18.539 4.726 1.00 0.00 O ATOM 0 H GLU A 67 -7.995 -13.388 6.907 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.873 -15.548 8.253 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.225 -15.627 5.918 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.548 -15.303 6.311 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.511 -17.494 7.588 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.115 -17.819 6.961 1.00 0.00 H new ATOM 980 N GLU A 68 -5.618 -15.387 8.839 1.00 0.00 N ATOM 981 CA GLU A 68 -4.586 -15.730 9.811 1.00 0.00 C ATOM 982 C GLU A 68 -4.115 -14.491 10.567 1.00 0.00 C ATOM 983 O GLU A 68 -3.988 -13.411 9.989 1.00 0.00 O ATOM 984 CB GLU A 68 -3.398 -16.397 9.113 1.00 0.00 C ATOM 985 CG GLU A 68 -2.769 -15.538 8.029 1.00 0.00 C ATOM 986 CD GLU A 68 -3.443 -15.712 6.682 1.00 0.00 C ATOM 987 OE1 GLU A 68 -3.146 -16.713 5.996 1.00 0.00 O ATOM 988 OE2 GLU A 68 -4.266 -14.849 6.313 1.00 0.00 O ATOM 0 H GLU A 68 -5.263 -14.993 7.968 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.017 -16.429 10.528 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.640 -16.641 9.857 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.727 -17.339 8.673 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.822 -14.490 8.325 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.713 -15.791 7.938 1.00 0.00 H new ATOM 995 N GLN A 69 -3.860 -14.655 11.860 1.00 0.00 N ATOM 996 CA GLN A 69 -3.405 -13.549 12.695 1.00 0.00 C ATOM 997 C GLN A 69 -2.182 -12.874 12.085 1.00 0.00 C ATOM 998 O GLN A 69 -2.234 -11.708 11.694 1.00 0.00 O ATOM 999 CB GLN A 69 -3.078 -14.047 14.104 1.00 0.00 C ATOM 1000 CG GLN A 69 -4.026 -15.126 14.603 1.00 0.00 C ATOM 1001 CD GLN A 69 -4.134 -15.154 16.115 1.00 0.00 C ATOM 1002 OE1 GLN A 69 -4.590 -14.193 16.735 1.00 0.00 O ATOM 1003 NE2 GLN A 69 -3.713 -16.260 16.718 1.00 0.00 N ATOM 0 H GLN A 69 -3.960 -15.542 12.353 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.210 -12.816 12.754 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.060 -14.436 14.116 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.105 -13.204 14.794 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -5.015 -14.962 14.175 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.683 -16.098 14.249 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.342 -17.033 16.165 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.761 -16.337 17.734 1.00 0.00 H new ATOM 1012 N PHE A 70 -1.081 -13.614 12.007 1.00 0.00 N ATOM 1013 CA PHE A 70 0.157 -13.087 11.445 1.00 0.00 C ATOM 1014 C PHE A 70 0.108 -13.091 9.920 1.00 0.00 C ATOM 1015 O PHE A 70 -0.812 -13.646 9.318 1.00 0.00 O ATOM 1016 CB PHE A 70 1.353 -13.908 11.931 1.00 0.00 C ATOM 1017 CG PHE A 70 1.905 -13.444 13.248 1.00 0.00 C ATOM 1018 CD1 PHE A 70 1.110 -13.440 14.384 1.00 0.00 C ATOM 1019 CD2 PHE A 70 3.217 -13.012 13.352 1.00 0.00 C ATOM 1020 CE1 PHE A 70 1.615 -13.012 15.597 1.00 0.00 C ATOM 1021 CE2 PHE A 70 3.727 -12.583 14.563 1.00 0.00 C ATOM 1022 CZ PHE A 70 2.925 -12.584 15.687 1.00 0.00 C ATOM 0 H PHE A 70 -1.021 -14.581 12.326 1.00 0.00 H new ATOM 0 HA PHE A 70 0.271 -12.057 11.784 1.00 0.00 H new ATOM 0 HB2 PHE A 70 1.054 -14.953 12.019 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.142 -13.865 11.180 1.00 0.00 H new ATOM 0 HD1 PHE A 70 0.085 -13.775 14.320 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.849 -13.010 12.476 1.00 0.00 H new ATOM 0 HE1 PHE A 70 0.985 -13.012 16.474 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.751 -12.247 14.630 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.321 -12.251 16.635 1.00 0.00 H new ATOM 1032 N THR A 71 1.105 -12.468 9.300 1.00 0.00 N ATOM 1033 CA THR A 71 1.176 -12.398 7.846 1.00 0.00 C ATOM 1034 C THR A 71 2.575 -12.009 7.382 1.00 0.00 C ATOM 1035 O THR A 71 3.181 -11.080 7.916 1.00 0.00 O ATOM 1036 CB THR A 71 0.161 -11.386 7.282 1.00 0.00 C ATOM 1037 OG1 THR A 71 -1.173 -11.807 7.589 1.00 0.00 O ATOM 1038 CG2 THR A 71 0.319 -11.242 5.776 1.00 0.00 C ATOM 0 H THR A 71 1.875 -12.004 9.783 1.00 0.00 H new ATOM 0 HA THR A 71 0.934 -13.392 7.470 1.00 0.00 H new ATOM 0 HB THR A 71 0.352 -10.418 7.745 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.151 -12.709 7.973 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.409 -10.522 5.401 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.326 -10.893 5.548 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.153 -12.208 5.299 1.00 0.00 H new ATOM 1046 N ARG A 72 3.083 -12.726 6.384 1.00 0.00 N ATOM 1047 CA ARG A 72 4.411 -12.455 5.848 1.00 0.00 C ATOM 1048 C ARG A 72 4.343 -12.149 4.355 1.00 0.00 C ATOM 1049 O ARG A 72 4.316 -13.058 3.525 1.00 0.00 O ATOM 1050 CB ARG A 72 5.336 -13.649 6.094 1.00 0.00 C ATOM 1051 CG ARG A 72 6.763 -13.421 5.624 1.00 0.00 C ATOM 1052 CD ARG A 72 7.526 -14.730 5.501 1.00 0.00 C ATOM 1053 NE ARG A 72 8.698 -14.603 4.640 1.00 0.00 N ATOM 1054 CZ ARG A 72 9.798 -13.944 4.988 1.00 0.00 C ATOM 1055 NH1 ARG A 72 9.875 -13.356 6.174 1.00 0.00 N ATOM 1056 NH2 ARG A 72 10.823 -13.872 4.150 1.00 0.00 N ATOM 0 H ARG A 72 2.595 -13.498 5.931 1.00 0.00 H new ATOM 0 HA ARG A 72 4.812 -11.581 6.362 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.346 -13.877 7.160 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.930 -14.523 5.585 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.753 -12.913 4.660 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.277 -12.764 6.325 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.838 -15.062 6.491 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.865 -15.499 5.101 1.00 0.00 H new ATOM 0 HE ARG A 72 8.671 -15.044 3.721 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.089 -13.409 6.822 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.721 -12.851 6.439 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.768 -14.323 3.237 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.667 -13.366 4.419 1.00 0.00 H new ATOM 1070 N VAL A 73 4.317 -10.863 4.021 1.00 0.00 N ATOM 1071 CA VAL A 73 4.253 -10.436 2.628 1.00 0.00 C ATOM 1072 C VAL A 73 5.439 -9.549 2.270 1.00 0.00 C ATOM 1073 O VAL A 73 5.678 -8.525 2.909 1.00 0.00 O ATOM 1074 CB VAL A 73 2.948 -9.673 2.334 1.00 0.00 C ATOM 1075 CG1 VAL A 73 2.929 -9.180 0.895 1.00 0.00 C ATOM 1076 CG2 VAL A 73 1.740 -10.553 2.620 1.00 0.00 C ATOM 0 H VAL A 73 4.339 -10.098 4.696 1.00 0.00 H new ATOM 0 HA VAL A 73 4.282 -11.339 2.019 1.00 0.00 H new ATOM 0 HB VAL A 73 2.900 -8.805 2.991 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.999 -8.643 0.706 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.774 -8.512 0.728 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.000 -10.031 0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.827 -9.998 2.407 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.780 -11.442 1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.747 -10.851 3.668 1.00 0.00 H new ATOM 1086 N GLY A 74 6.182 -9.949 1.242 1.00 0.00 N ATOM 1087 CA GLY A 74 7.335 -9.178 0.815 1.00 0.00 C ATOM 1088 C GLY A 74 6.965 -8.058 -0.137 1.00 0.00 C ATOM 1089 O GLY A 74 7.181 -8.163 -1.344 1.00 0.00 O ATOM 0 H GLY A 74 6.006 -10.793 0.697 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.831 -8.758 1.690 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.052 -9.841 0.330 1.00 0.00 H new ATOM 1093 N VAL A 75 6.403 -6.983 0.407 1.00 0.00 N ATOM 1094 CA VAL A 75 6.001 -5.839 -0.402 1.00 0.00 C ATOM 1095 C VAL A 75 7.169 -4.884 -0.622 1.00 0.00 C ATOM 1096 O VAL A 75 7.839 -4.479 0.328 1.00 0.00 O ATOM 1097 CB VAL A 75 4.839 -5.070 0.252 1.00 0.00 C ATOM 1098 CG1 VAL A 75 4.467 -3.852 -0.581 1.00 0.00 C ATOM 1099 CG2 VAL A 75 3.637 -5.982 0.443 1.00 0.00 C ATOM 0 H VAL A 75 6.216 -6.881 1.404 1.00 0.00 H new ATOM 0 HA VAL A 75 5.671 -6.232 -1.364 1.00 0.00 H new ATOM 0 HB VAL A 75 5.163 -4.724 1.233 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.644 -3.322 -0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.328 -3.189 -0.661 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.162 -4.172 -1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.825 -5.422 0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.310 -6.361 -0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.913 -6.818 1.085 1.00 0.00 H new ATOM 1109 N GLN A 76 7.406 -4.527 -1.880 1.00 0.00 N ATOM 1110 CA GLN A 76 8.493 -3.619 -2.224 1.00 0.00 C ATOM 1111 C GLN A 76 7.991 -2.475 -3.099 1.00 0.00 C ATOM 1112 O GLN A 76 7.065 -2.646 -3.891 1.00 0.00 O ATOM 1113 CB GLN A 76 9.609 -4.376 -2.946 1.00 0.00 C ATOM 1114 CG GLN A 76 10.873 -3.555 -3.143 1.00 0.00 C ATOM 1115 CD GLN A 76 11.365 -2.923 -1.855 1.00 0.00 C ATOM 1116 OE1 GLN A 76 10.873 -1.875 -1.437 1.00 0.00 O ATOM 1117 NE2 GLN A 76 12.342 -3.560 -1.219 1.00 0.00 N ATOM 0 H GLN A 76 6.860 -4.853 -2.678 1.00 0.00 H new ATOM 0 HA GLN A 76 8.888 -3.199 -1.299 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.854 -5.274 -2.378 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.243 -4.704 -3.919 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.656 -4.193 -3.552 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.683 -2.773 -3.878 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.720 -4.426 -1.602 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.714 -3.183 -0.347 1.00 0.00 H new ATOM 1126 N VAL A 77 8.608 -1.307 -2.949 1.00 0.00 N ATOM 1127 CA VAL A 77 8.224 -0.134 -3.726 1.00 0.00 C ATOM 1128 C VAL A 77 9.361 0.320 -4.633 1.00 0.00 C ATOM 1129 O VAL A 77 10.374 0.841 -4.164 1.00 0.00 O ATOM 1130 CB VAL A 77 7.813 1.035 -2.811 1.00 0.00 C ATOM 1131 CG1 VAL A 77 6.491 0.735 -2.122 1.00 0.00 C ATOM 1132 CG2 VAL A 77 8.904 1.320 -1.789 1.00 0.00 C ATOM 0 H VAL A 77 9.376 -1.148 -2.297 1.00 0.00 H new ATOM 0 HA VAL A 77 7.370 -0.425 -4.337 1.00 0.00 H new ATOM 0 HB VAL A 77 7.681 1.925 -3.426 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.217 1.572 -1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.715 0.585 -2.873 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.592 -0.167 -1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.597 2.149 -1.151 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.070 0.433 -1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.827 1.583 -2.306 1.00 0.00 H new ATOM 1142 N LEU A 78 9.188 0.121 -5.935 1.00 0.00 N ATOM 1143 CA LEU A 78 10.200 0.511 -6.911 1.00 0.00 C ATOM 1144 C LEU A 78 9.746 1.729 -7.709 1.00 0.00 C ATOM 1145 O LEU A 78 8.555 2.035 -7.769 1.00 0.00 O ATOM 1146 CB LEU A 78 10.498 -0.652 -7.858 1.00 0.00 C ATOM 1147 CG LEU A 78 11.899 -0.677 -8.471 1.00 0.00 C ATOM 1148 CD1 LEU A 78 12.326 -2.106 -8.770 1.00 0.00 C ATOM 1149 CD2 LEU A 78 11.944 0.171 -9.734 1.00 0.00 C ATOM 0 H LEU A 78 8.356 -0.308 -6.340 1.00 0.00 H new ATOM 0 HA LEU A 78 11.109 0.773 -6.370 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.344 -1.585 -7.315 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.769 -0.630 -8.668 1.00 0.00 H new ATOM 0 HG LEU A 78 12.598 -0.255 -7.749 1.00 0.00 H new ATOM 0 HD11 LEU A 78 13.325 -2.104 -9.206 1.00 0.00 H new ATOM 0 HD12 LEU A 78 12.334 -2.684 -7.846 1.00 0.00 H new ATOM 0 HD13 LEU A 78 11.625 -2.556 -9.473 1.00 0.00 H new ATOM 0 HD21 LEU A 78 12.948 0.142 -10.156 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.233 -0.221 -10.461 1.00 0.00 H new ATOM 0 HD23 LEU A 78 11.683 1.201 -9.490 1.00 0.00 H new ATOM 1161 N ASP A 79 10.702 2.418 -8.321 1.00 0.00 N ATOM 1162 CA ASP A 79 10.401 3.601 -9.119 1.00 0.00 C ATOM 1163 C ASP A 79 10.243 3.237 -10.592 1.00 0.00 C ATOM 1164 O ASP A 79 11.204 2.839 -11.250 1.00 0.00 O ATOM 1165 CB ASP A 79 11.504 4.648 -8.955 1.00 0.00 C ATOM 1166 CG ASP A 79 11.431 5.362 -7.620 1.00 0.00 C ATOM 1167 OD1 ASP A 79 10.629 6.311 -7.499 1.00 0.00 O ATOM 1168 OD2 ASP A 79 12.175 4.972 -6.696 1.00 0.00 O ATOM 0 H ASP A 79 11.693 2.178 -8.280 1.00 0.00 H new ATOM 0 HA ASP A 79 9.459 4.019 -8.763 1.00 0.00 H new ATOM 0 HB2 ASP A 79 12.476 4.165 -9.053 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.429 5.380 -9.760 1.00 0.00 H new ATOM 1173 N ARG A 80 9.024 3.376 -11.103 1.00 0.00 N ATOM 1174 CA ARG A 80 8.739 3.059 -12.497 1.00 0.00 C ATOM 1175 C ARG A 80 8.354 4.316 -13.273 1.00 0.00 C ATOM 1176 O ARG A 80 9.009 4.681 -14.249 1.00 0.00 O ATOM 1177 CB ARG A 80 7.615 2.026 -12.589 1.00 0.00 C ATOM 1178 CG ARG A 80 7.828 0.813 -11.699 1.00 0.00 C ATOM 1179 CD ARG A 80 8.931 -0.085 -12.235 1.00 0.00 C ATOM 1180 NE ARG A 80 8.497 -0.849 -13.402 1.00 0.00 N ATOM 1181 CZ ARG A 80 9.294 -1.660 -14.087 1.00 0.00 C ATOM 1182 NH1 ARG A 80 10.560 -1.813 -13.725 1.00 0.00 N ATOM 1183 NH2 ARG A 80 8.825 -2.322 -15.138 1.00 0.00 N ATOM 0 H ARG A 80 8.218 3.706 -10.572 1.00 0.00 H new ATOM 0 HA ARG A 80 9.643 2.642 -12.940 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.672 2.502 -12.320 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.521 1.695 -13.623 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.082 1.140 -10.691 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.900 0.247 -11.626 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.796 0.523 -12.501 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.252 -0.771 -11.452 1.00 0.00 H new ATOM 0 HE ARG A 80 7.528 -0.754 -13.707 1.00 0.00 H new ATOM 0 HH11 ARG A 80 10.924 -1.307 -12.918 1.00 0.00 H new ATOM 0 HH12 ARG A 80 11.170 -2.437 -14.254 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.851 -2.208 -15.420 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.438 -2.945 -15.664 1.00 0.00 H new ATOM 1197 N LYS A 81 7.288 4.974 -12.831 1.00 0.00 N ATOM 1198 CA LYS A 81 6.815 6.190 -13.481 1.00 0.00 C ATOM 1199 C LYS A 81 7.655 7.393 -13.063 1.00 0.00 C ATOM 1200 O LYS A 81 8.589 7.264 -12.272 1.00 0.00 O ATOM 1201 CB LYS A 81 5.344 6.438 -13.138 1.00 0.00 C ATOM 1202 CG LYS A 81 4.379 5.597 -13.956 1.00 0.00 C ATOM 1203 CD LYS A 81 2.985 6.203 -13.969 1.00 0.00 C ATOM 1204 CE LYS A 81 2.033 5.392 -14.834 1.00 0.00 C ATOM 1205 NZ LYS A 81 1.350 4.323 -14.055 1.00 0.00 N ATOM 0 H LYS A 81 6.735 4.685 -12.024 1.00 0.00 H new ATOM 0 HA LYS A 81 6.913 6.057 -14.558 1.00 0.00 H new ATOM 0 HB2 LYS A 81 5.186 6.231 -12.080 1.00 0.00 H new ATOM 0 HB3 LYS A 81 5.116 7.492 -13.294 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.748 5.508 -14.978 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.335 4.589 -13.545 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.600 6.254 -12.951 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.035 7.226 -14.342 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.287 6.055 -15.273 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.585 4.943 -15.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 0.538 3.963 -14.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.017 3.546 -13.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 1.017 4.712 -13.150 1.00 0.00 H new ATOM 1219 N ASP A 82 7.315 8.560 -13.598 1.00 0.00 N ATOM 1220 CA ASP A 82 8.037 9.787 -13.277 1.00 0.00 C ATOM 1221 C ASP A 82 7.254 10.632 -12.278 1.00 0.00 C ATOM 1222 O ASP A 82 7.063 11.831 -12.478 1.00 0.00 O ATOM 1223 CB ASP A 82 8.303 10.594 -14.549 1.00 0.00 C ATOM 1224 CG ASP A 82 9.388 9.977 -15.409 1.00 0.00 C ATOM 1225 OD1 ASP A 82 10.579 10.237 -15.138 1.00 0.00 O ATOM 1226 OD2 ASP A 82 9.047 9.236 -16.355 1.00 0.00 O ATOM 0 H ASP A 82 6.545 8.683 -14.255 1.00 0.00 H new ATOM 0 HA ASP A 82 8.990 9.512 -12.824 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.383 10.668 -15.128 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.592 11.610 -14.278 1.00 0.00 H new ATOM 1231 N GLY A 83 6.802 9.999 -11.200 1.00 0.00 N ATOM 1232 CA GLY A 83 6.044 10.708 -10.185 1.00 0.00 C ATOM 1233 C GLY A 83 5.429 9.774 -9.162 1.00 0.00 C ATOM 1234 O GLY A 83 5.301 10.125 -7.989 1.00 0.00 O ATOM 0 H GLY A 83 6.947 9.007 -11.011 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.697 11.418 -9.678 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.255 11.287 -10.664 1.00 0.00 H new ATOM 1238 N SER A 84 5.046 8.581 -9.607 1.00 0.00 N ATOM 1239 CA SER A 84 4.435 7.596 -8.723 1.00 0.00 C ATOM 1240 C SER A 84 5.350 6.388 -8.541 1.00 0.00 C ATOM 1241 O SER A 84 6.320 6.213 -9.279 1.00 0.00 O ATOM 1242 CB SER A 84 3.083 7.147 -9.281 1.00 0.00 C ATOM 1243 OG SER A 84 2.179 8.234 -9.364 1.00 0.00 O ATOM 0 H SER A 84 5.148 8.274 -10.574 1.00 0.00 H new ATOM 0 HA SER A 84 4.281 8.063 -7.750 1.00 0.00 H new ATOM 0 HB2 SER A 84 3.221 6.709 -10.269 1.00 0.00 H new ATOM 0 HB3 SER A 84 2.663 6.369 -8.643 1.00 0.00 H new ATOM 0 HG SER A 84 1.323 7.921 -9.725 1.00 0.00 H new ATOM 1249 N PHE A 85 5.034 5.558 -7.553 1.00 0.00 N ATOM 1250 CA PHE A 85 5.826 4.367 -7.272 1.00 0.00 C ATOM 1251 C PHE A 85 5.038 3.100 -7.593 1.00 0.00 C ATOM 1252 O PHE A 85 3.819 3.141 -7.761 1.00 0.00 O ATOM 1253 CB PHE A 85 6.262 4.352 -5.805 1.00 0.00 C ATOM 1254 CG PHE A 85 7.445 5.233 -5.522 1.00 0.00 C ATOM 1255 CD1 PHE A 85 7.342 6.611 -5.634 1.00 0.00 C ATOM 1256 CD2 PHE A 85 8.659 4.685 -5.143 1.00 0.00 C ATOM 1257 CE1 PHE A 85 8.429 7.424 -5.375 1.00 0.00 C ATOM 1258 CE2 PHE A 85 9.750 5.493 -4.882 1.00 0.00 C ATOM 1259 CZ PHE A 85 9.634 6.864 -4.998 1.00 0.00 C ATOM 0 H PHE A 85 4.234 5.688 -6.933 1.00 0.00 H new ATOM 0 HA PHE A 85 6.712 4.393 -7.907 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.426 4.670 -5.182 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.504 3.329 -5.517 1.00 0.00 H new ATOM 0 HD1 PHE A 85 6.402 7.054 -5.927 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.755 3.613 -5.050 1.00 0.00 H new ATOM 0 HE1 PHE A 85 8.336 8.496 -5.467 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.691 5.053 -4.588 1.00 0.00 H new ATOM 0 HZ PHE A 85 10.484 7.498 -4.794 1.00 0.00 H new ATOM 1269 N ILE A 86 5.743 1.977 -7.678 1.00 0.00 N ATOM 1270 CA ILE A 86 5.110 0.699 -7.978 1.00 0.00 C ATOM 1271 C ILE A 86 5.246 -0.270 -6.809 1.00 0.00 C ATOM 1272 O ILE A 86 6.346 -0.503 -6.306 1.00 0.00 O ATOM 1273 CB ILE A 86 5.715 0.053 -9.238 1.00 0.00 C ATOM 1274 CG1 ILE A 86 4.746 -0.973 -9.827 1.00 0.00 C ATOM 1275 CG2 ILE A 86 7.050 -0.598 -8.911 1.00 0.00 C ATOM 1276 CD1 ILE A 86 4.941 -1.209 -11.309 1.00 0.00 C ATOM 0 H ILE A 86 6.753 1.926 -7.543 1.00 0.00 H new ATOM 0 HA ILE A 86 4.054 0.904 -8.156 1.00 0.00 H new ATOM 0 HB ILE A 86 5.886 0.832 -9.981 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.865 -1.919 -9.298 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.724 -0.637 -9.652 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.465 -1.050 -9.812 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.740 0.157 -8.533 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.904 -1.368 -8.153 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.220 -1.948 -11.658 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.792 -0.274 -11.849 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.952 -1.575 -11.489 1.00 0.00 H new ATOM 1288 N VAL A 87 4.121 -0.834 -6.380 1.00 0.00 N ATOM 1289 CA VAL A 87 4.115 -1.781 -5.272 1.00 0.00 C ATOM 1290 C VAL A 87 3.885 -3.205 -5.766 1.00 0.00 C ATOM 1291 O VAL A 87 2.791 -3.548 -6.214 1.00 0.00 O ATOM 1292 CB VAL A 87 3.029 -1.427 -4.238 1.00 0.00 C ATOM 1293 CG1 VAL A 87 3.130 -2.340 -3.025 1.00 0.00 C ATOM 1294 CG2 VAL A 87 3.141 0.033 -3.827 1.00 0.00 C ATOM 0 H VAL A 87 3.202 -0.651 -6.783 1.00 0.00 H new ATOM 0 HA VAL A 87 5.094 -1.718 -4.797 1.00 0.00 H new ATOM 0 HB VAL A 87 2.052 -1.578 -4.696 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.355 -2.076 -2.305 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.997 -3.376 -3.337 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.110 -2.223 -2.563 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.366 0.266 -3.096 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.122 0.213 -3.386 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.015 0.668 -4.704 1.00 0.00 H new ATOM 1304 N ARG A 88 4.924 -4.029 -5.683 1.00 0.00 N ATOM 1305 CA ARG A 88 4.836 -5.416 -6.123 1.00 0.00 C ATOM 1306 C ARG A 88 5.106 -6.372 -4.964 1.00 0.00 C ATOM 1307 O ARG A 88 6.117 -6.254 -4.271 1.00 0.00 O ATOM 1308 CB ARG A 88 5.830 -5.678 -7.256 1.00 0.00 C ATOM 1309 CG ARG A 88 7.270 -5.363 -6.888 1.00 0.00 C ATOM 1310 CD ARG A 88 8.192 -5.486 -8.091 1.00 0.00 C ATOM 1311 NE ARG A 88 7.947 -4.438 -9.078 1.00 0.00 N ATOM 1312 CZ ARG A 88 8.506 -4.418 -10.283 1.00 0.00 C ATOM 1313 NH1 ARG A 88 9.338 -5.384 -10.648 1.00 0.00 N ATOM 1314 NH2 ARG A 88 8.233 -3.430 -11.126 1.00 0.00 N ATOM 0 H ARG A 88 5.837 -3.760 -5.315 1.00 0.00 H new ATOM 0 HA ARG A 88 3.824 -5.592 -6.489 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.761 -6.724 -7.554 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.546 -5.080 -8.122 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.331 -4.353 -6.484 1.00 0.00 H new ATOM 0 HG3 ARG A 88 7.603 -6.041 -6.102 1.00 0.00 H new ATOM 0 HD2 ARG A 88 9.229 -5.436 -7.759 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.053 -6.462 -8.556 1.00 0.00 H new ATOM 0 HE ARG A 88 7.312 -3.680 -8.829 1.00 0.00 H new ATOM 0 HH11 ARG A 88 9.550 -6.145 -10.003 1.00 0.00 H new ATOM 0 HH12 ARG A 88 9.766 -5.366 -11.574 1.00 0.00 H new ATOM 0 HH21 ARG A 88 7.594 -2.685 -10.849 1.00 0.00 H new ATOM 0 HH22 ARG A 88 8.663 -3.415 -12.051 1.00 0.00 H new ATOM 1328 N TYR A 89 4.196 -7.318 -4.761 1.00 0.00 N ATOM 1329 CA TYR A 89 4.334 -8.292 -3.685 1.00 0.00 C ATOM 1330 C TYR A 89 4.032 -9.702 -4.184 1.00 0.00 C ATOM 1331 O TYR A 89 3.420 -9.882 -5.237 1.00 0.00 O ATOM 1332 CB TYR A 89 3.401 -7.939 -2.526 1.00 0.00 C ATOM 1333 CG TYR A 89 2.010 -8.515 -2.671 1.00 0.00 C ATOM 1334 CD1 TYR A 89 1.755 -9.849 -2.378 1.00 0.00 C ATOM 1335 CD2 TYR A 89 0.951 -7.725 -3.100 1.00 0.00 C ATOM 1336 CE1 TYR A 89 0.486 -10.380 -2.510 1.00 0.00 C ATOM 1337 CE2 TYR A 89 -0.321 -8.246 -3.234 1.00 0.00 C ATOM 1338 CZ TYR A 89 -0.548 -9.574 -2.938 1.00 0.00 C ATOM 1339 OH TYR A 89 -1.814 -10.099 -3.070 1.00 0.00 O ATOM 0 H TYR A 89 3.355 -7.431 -5.327 1.00 0.00 H new ATOM 0 HA TYR A 89 5.366 -8.263 -3.334 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.839 -8.299 -1.595 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.329 -6.854 -2.446 1.00 0.00 H new ATOM 0 HD1 TYR A 89 2.563 -10.482 -2.041 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.125 -6.685 -3.333 1.00 0.00 H new ATOM 0 HE1 TYR A 89 0.305 -11.419 -2.279 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -1.133 -7.617 -3.569 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.427 -9.400 -3.380 1.00 0.00 H new ATOM 1349 N ARG A 90 4.467 -10.699 -3.420 1.00 0.00 N ATOM 1350 CA ARG A 90 4.244 -12.093 -3.784 1.00 0.00 C ATOM 1351 C ARG A 90 3.710 -12.887 -2.595 1.00 0.00 C ATOM 1352 O ARG A 90 4.157 -12.704 -1.463 1.00 0.00 O ATOM 1353 CB ARG A 90 5.543 -12.724 -4.290 1.00 0.00 C ATOM 1354 CG ARG A 90 5.469 -14.235 -4.438 1.00 0.00 C ATOM 1355 CD ARG A 90 6.788 -14.812 -4.928 1.00 0.00 C ATOM 1356 NE ARG A 90 7.096 -14.391 -6.293 1.00 0.00 N ATOM 1357 CZ ARG A 90 8.318 -14.417 -6.811 1.00 0.00 C ATOM 1358 NH1 ARG A 90 9.342 -14.841 -6.083 1.00 0.00 N ATOM 1359 NH2 ARG A 90 8.519 -14.019 -8.061 1.00 0.00 N ATOM 0 H ARG A 90 4.976 -10.567 -2.546 1.00 0.00 H new ATOM 0 HA ARG A 90 3.500 -12.120 -4.580 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.799 -12.285 -5.254 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.351 -12.474 -3.602 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.208 -14.683 -3.479 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.675 -14.495 -5.138 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.591 -14.497 -4.262 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.746 -15.900 -4.885 1.00 0.00 H new ATOM 0 HE ARG A 90 6.330 -14.059 -6.880 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.192 -15.148 -5.122 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.280 -14.860 -6.484 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.734 -13.693 -8.625 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.458 -14.039 -8.458 1.00 0.00 H new ATOM 1373 N MET A 91 2.752 -13.768 -2.861 1.00 0.00 N ATOM 1374 CA MET A 91 2.158 -14.590 -1.813 1.00 0.00 C ATOM 1375 C MET A 91 1.772 -15.964 -2.353 1.00 0.00 C ATOM 1376 O MET A 91 1.160 -16.075 -3.415 1.00 0.00 O ATOM 1377 CB MET A 91 0.927 -13.896 -1.227 1.00 0.00 C ATOM 1378 CG MET A 91 0.380 -14.577 0.016 1.00 0.00 C ATOM 1379 SD MET A 91 -0.535 -13.446 1.082 1.00 0.00 S ATOM 1380 CE MET A 91 -1.750 -12.806 -0.067 1.00 0.00 C ATOM 0 H MET A 91 2.370 -13.931 -3.793 1.00 0.00 H new ATOM 0 HA MET A 91 2.900 -14.723 -1.026 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.183 -12.865 -0.984 1.00 0.00 H new ATOM 0 HB3 MET A 91 0.145 -13.860 -1.985 1.00 0.00 H new ATOM 0 HG2 MET A 91 -0.273 -15.398 -0.282 1.00 0.00 H new ATOM 0 HG3 MET A 91 1.205 -15.014 0.579 1.00 0.00 H new ATOM 0 HE1 MET A 91 -1.785 -11.719 0.008 1.00 0.00 H new ATOM 0 HE2 MET A 91 -1.476 -13.091 -1.083 1.00 0.00 H new ATOM 0 HE3 MET A 91 -2.730 -13.218 0.173 1.00 0.00 H new ATOM 1390 N TYR A 92 2.135 -17.007 -1.615 1.00 0.00 N ATOM 1391 CA TYR A 92 1.829 -18.374 -2.021 1.00 0.00 C ATOM 1392 C TYR A 92 0.986 -19.081 -0.964 1.00 0.00 C ATOM 1393 O TYR A 92 1.298 -20.196 -0.549 1.00 0.00 O ATOM 1394 CB TYR A 92 3.120 -19.156 -2.266 1.00 0.00 C ATOM 1395 CG TYR A 92 4.212 -18.851 -1.266 1.00 0.00 C ATOM 1396 CD1 TYR A 92 4.985 -17.702 -1.380 1.00 0.00 C ATOM 1397 CD2 TYR A 92 4.471 -19.712 -0.207 1.00 0.00 C ATOM 1398 CE1 TYR A 92 5.984 -17.420 -0.469 1.00 0.00 C ATOM 1399 CE2 TYR A 92 5.467 -19.437 0.710 1.00 0.00 C ATOM 1400 CZ TYR A 92 6.221 -18.290 0.574 1.00 0.00 C ATOM 1401 OH TYR A 92 7.215 -18.012 1.485 1.00 0.00 O ATOM 0 H TYR A 92 2.641 -16.932 -0.733 1.00 0.00 H new ATOM 0 HA TYR A 92 1.256 -18.331 -2.947 1.00 0.00 H new ATOM 0 HB2 TYR A 92 2.900 -20.223 -2.236 1.00 0.00 H new ATOM 0 HB3 TYR A 92 3.485 -18.934 -3.269 1.00 0.00 H new ATOM 0 HD1 TYR A 92 4.801 -17.018 -2.195 1.00 0.00 H new ATOM 0 HD2 TYR A 92 3.884 -20.612 -0.099 1.00 0.00 H new ATOM 0 HE1 TYR A 92 6.576 -16.523 -0.573 1.00 0.00 H new ATOM 0 HE2 TYR A 92 5.654 -20.116 1.529 1.00 0.00 H new ATOM 0 HH TYR A 92 7.251 -18.724 2.157 1.00 0.00 H new ATOM 1411 N ALA A 93 -0.086 -18.422 -0.535 1.00 0.00 N ATOM 1412 CA ALA A 93 -0.977 -18.987 0.471 1.00 0.00 C ATOM 1413 C ALA A 93 -2.419 -18.554 0.232 1.00 0.00 C ATOM 1414 O ALA A 93 -2.674 -17.547 -0.428 1.00 0.00 O ATOM 1415 CB ALA A 93 -0.525 -18.578 1.866 1.00 0.00 C ATOM 0 H ALA A 93 -0.358 -17.497 -0.868 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.933 -20.073 0.391 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.199 -19.007 2.607 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.487 -18.943 2.042 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.539 -17.491 1.949 1.00 0.00 H new ATOM 1421 N SER A 94 -3.360 -19.321 0.773 1.00 0.00 N ATOM 1422 CA SER A 94 -4.778 -19.019 0.615 1.00 0.00 C ATOM 1423 C SER A 94 -5.022 -17.514 0.671 1.00 0.00 C ATOM 1424 O SER A 94 -4.904 -16.894 1.728 1.00 0.00 O ATOM 1425 CB SER A 94 -5.595 -19.721 1.701 1.00 0.00 C ATOM 1426 OG SER A 94 -5.180 -19.315 2.994 1.00 0.00 O ATOM 0 H SER A 94 -3.166 -20.157 1.325 1.00 0.00 H new ATOM 0 HA SER A 94 -5.096 -19.385 -0.361 1.00 0.00 H new ATOM 0 HB2 SER A 94 -6.653 -19.495 1.568 1.00 0.00 H new ATOM 0 HB3 SER A 94 -5.485 -20.801 1.603 1.00 0.00 H new ATOM 0 HG SER A 94 -4.905 -18.375 2.969 1.00 0.00 H new ATOM 1432 N TYR A 95 -5.363 -16.933 -0.474 1.00 0.00 N ATOM 1433 CA TYR A 95 -5.622 -15.501 -0.556 1.00 0.00 C ATOM 1434 C TYR A 95 -7.092 -15.229 -0.860 1.00 0.00 C ATOM 1435 O TYR A 95 -7.500 -15.179 -2.021 1.00 0.00 O ATOM 1436 CB TYR A 95 -4.741 -14.863 -1.632 1.00 0.00 C ATOM 1437 CG TYR A 95 -5.364 -13.650 -2.284 1.00 0.00 C ATOM 1438 CD1 TYR A 95 -5.936 -12.642 -1.518 1.00 0.00 C ATOM 1439 CD2 TYR A 95 -5.381 -13.511 -3.667 1.00 0.00 C ATOM 1440 CE1 TYR A 95 -6.507 -11.532 -2.109 1.00 0.00 C ATOM 1441 CE2 TYR A 95 -5.949 -12.404 -4.267 1.00 0.00 C ATOM 1442 CZ TYR A 95 -6.510 -11.417 -3.484 1.00 0.00 C ATOM 1443 OH TYR A 95 -7.078 -10.313 -4.077 1.00 0.00 O ATOM 0 H TYR A 95 -5.466 -17.432 -1.358 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.382 -15.059 0.411 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.788 -14.577 -1.187 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.524 -15.606 -2.399 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.934 -12.728 -0.441 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.942 -14.282 -4.283 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -6.949 -10.758 -1.498 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -5.954 -12.312 -5.343 1.00 0.00 H new ATOM 0 HH TYR A 95 -6.451 -9.931 -4.726 1.00 0.00 H new ATOM 1453 N LYS A 96 -7.884 -15.054 0.192 1.00 0.00 N ATOM 1454 CA LYS A 96 -9.309 -14.785 0.041 1.00 0.00 C ATOM 1455 C LYS A 96 -9.612 -13.308 0.268 1.00 0.00 C ATOM 1456 O LYS A 96 -10.276 -12.668 -0.547 1.00 0.00 O ATOM 1457 CB LYS A 96 -10.117 -15.639 1.021 1.00 0.00 C ATOM 1458 CG LYS A 96 -11.526 -15.946 0.544 1.00 0.00 C ATOM 1459 CD LYS A 96 -12.364 -16.572 1.645 1.00 0.00 C ATOM 1460 CE LYS A 96 -12.132 -18.072 1.739 1.00 0.00 C ATOM 1461 NZ LYS A 96 -12.719 -18.797 0.578 1.00 0.00 N ATOM 0 H LYS A 96 -7.563 -15.094 1.159 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.595 -15.043 -0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.589 -16.577 1.193 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -10.172 -15.123 1.980 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.003 -15.028 0.200 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.483 -16.622 -0.310 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.120 -16.105 2.599 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -13.420 -16.377 1.455 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.062 -18.272 1.789 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -12.570 -18.450 2.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -12.832 -19.803 0.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.648 -18.390 0.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.088 -18.706 -0.243 1.00 0.00 H new ATOM 1475 N ASN A 97 -9.118 -12.771 1.379 1.00 0.00 N ATOM 1476 CA ASN A 97 -9.335 -11.368 1.712 1.00 0.00 C ATOM 1477 C ASN A 97 -8.082 -10.756 2.332 1.00 0.00 C ATOM 1478 O ASN A 97 -7.482 -11.330 3.241 1.00 0.00 O ATOM 1479 CB ASN A 97 -10.515 -11.228 2.676 1.00 0.00 C ATOM 1480 CG ASN A 97 -11.616 -12.231 2.393 1.00 0.00 C ATOM 1481 OD1 ASN A 97 -12.084 -12.928 3.293 1.00 0.00 O ATOM 1482 ND2 ASN A 97 -12.035 -12.309 1.135 1.00 0.00 N ATOM 0 H ASN A 97 -8.565 -13.286 2.064 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.562 -10.832 0.790 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.162 -11.359 3.699 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -10.920 -10.219 2.606 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -12.773 -12.966 0.883 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -11.619 -11.712 0.421 1.00 0.00 H new ATOM 1489 N LEU A 98 -7.693 -9.588 1.833 1.00 0.00 N ATOM 1490 CA LEU A 98 -6.512 -8.896 2.338 1.00 0.00 C ATOM 1491 C LEU A 98 -6.839 -7.451 2.698 1.00 0.00 C ATOM 1492 O LEU A 98 -7.854 -6.905 2.262 1.00 0.00 O ATOM 1493 CB LEU A 98 -5.391 -8.933 1.297 1.00 0.00 C ATOM 1494 CG LEU A 98 -5.185 -10.268 0.580 1.00 0.00 C ATOM 1495 CD1 LEU A 98 -4.425 -10.063 -0.721 1.00 0.00 C ATOM 1496 CD2 LEU A 98 -4.450 -11.249 1.481 1.00 0.00 C ATOM 0 H LEU A 98 -8.178 -9.100 1.080 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.179 -9.409 3.240 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.593 -8.168 0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.457 -8.659 1.788 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.163 -10.687 0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.288 -11.024 -1.217 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.991 -9.396 -1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.451 -9.622 -0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.312 -12.193 0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.477 -10.838 1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.034 -11.420 2.386 1.00 0.00 H new ATOM 1508 N LYS A 99 -5.972 -6.834 3.494 1.00 0.00 N ATOM 1509 CA LYS A 99 -6.166 -5.450 3.911 1.00 0.00 C ATOM 1510 C LYS A 99 -4.940 -4.605 3.579 1.00 0.00 C ATOM 1511 O LYS A 99 -3.808 -4.999 3.860 1.00 0.00 O ATOM 1512 CB LYS A 99 -6.454 -5.384 5.412 1.00 0.00 C ATOM 1513 CG LYS A 99 -6.111 -4.043 6.038 1.00 0.00 C ATOM 1514 CD LYS A 99 -6.931 -3.786 7.291 1.00 0.00 C ATOM 1515 CE LYS A 99 -7.090 -5.050 8.122 1.00 0.00 C ATOM 1516 NZ LYS A 99 -7.413 -4.743 9.543 1.00 0.00 N ATOM 0 H LYS A 99 -5.128 -7.271 3.863 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.020 -5.048 3.366 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.510 -5.595 5.581 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.888 -6.167 5.917 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.050 -4.017 6.285 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.290 -3.247 5.315 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.449 -3.013 7.890 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.914 -3.406 7.012 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.880 -5.668 7.695 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.170 -5.633 8.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.513 -5.631 10.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.647 -4.175 9.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.304 -4.209 9.589 1.00 0.00 H new ATOM 1530 N VAL A 100 -5.173 -3.441 2.982 1.00 0.00 N ATOM 1531 CA VAL A 100 -4.088 -2.539 2.615 1.00 0.00 C ATOM 1532 C VAL A 100 -4.005 -1.359 3.576 1.00 0.00 C ATOM 1533 O VAL A 100 -5.027 -0.817 3.997 1.00 0.00 O ATOM 1534 CB VAL A 100 -4.261 -2.007 1.180 1.00 0.00 C ATOM 1535 CG1 VAL A 100 -3.114 -1.079 0.812 1.00 0.00 C ATOM 1536 CG2 VAL A 100 -4.361 -3.161 0.193 1.00 0.00 C ATOM 0 H VAL A 100 -6.104 -3.100 2.742 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.165 -3.116 2.672 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.188 -1.436 1.132 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.254 -0.713 -0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.093 -0.235 1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.171 -1.623 0.876 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.483 -2.767 -0.816 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -3.452 -3.761 0.241 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.220 -3.783 0.446 1.00 0.00 H new ATOM 1546 N GLU A 101 -2.782 -0.966 3.918 1.00 0.00 N ATOM 1547 CA GLU A 101 -2.567 0.151 4.830 1.00 0.00 C ATOM 1548 C GLU A 101 -1.341 0.961 4.420 1.00 0.00 C ATOM 1549 O GLU A 101 -0.210 0.482 4.509 1.00 0.00 O ATOM 1550 CB GLU A 101 -2.399 -0.357 6.264 1.00 0.00 C ATOM 1551 CG GLU A 101 -3.707 -0.459 7.031 1.00 0.00 C ATOM 1552 CD GLU A 101 -3.503 -0.473 8.533 1.00 0.00 C ATOM 1553 OE1 GLU A 101 -3.258 -1.565 9.088 1.00 0.00 O ATOM 1554 OE2 GLU A 101 -3.588 0.607 9.154 1.00 0.00 O ATOM 0 H GLU A 101 -1.926 -1.404 3.578 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.442 0.799 4.781 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.924 -1.338 6.240 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.724 0.310 6.800 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -4.347 0.381 6.763 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.230 -1.367 6.731 1.00 0.00 H new ATOM 1561 N ILE A 102 -1.574 2.189 3.968 1.00 0.00 N ATOM 1562 CA ILE A 102 -0.489 3.065 3.544 1.00 0.00 C ATOM 1563 C ILE A 102 -0.395 4.296 4.438 1.00 0.00 C ATOM 1564 O ILE A 102 -1.375 5.019 4.623 1.00 0.00 O ATOM 1565 CB ILE A 102 -0.669 3.517 2.083 1.00 0.00 C ATOM 1566 CG1 ILE A 102 -1.115 2.340 1.213 1.00 0.00 C ATOM 1567 CG2 ILE A 102 0.624 4.117 1.551 1.00 0.00 C ATOM 1568 CD1 ILE A 102 -2.617 2.185 1.130 1.00 0.00 C ATOM 0 H ILE A 102 -2.504 2.599 3.886 1.00 0.00 H new ATOM 0 HA ILE A 102 0.433 2.489 3.626 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.443 4.283 2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -0.715 2.470 0.207 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.684 1.421 1.611 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.481 4.432 0.517 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.902 4.979 2.158 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.417 3.371 1.596 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -2.860 1.331 0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -3.022 2.023 2.129 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.053 3.089 0.704 1.00 0.00 H new ATOM 1580 N LYS A 103 0.791 4.531 4.990 1.00 0.00 N ATOM 1581 CA LYS A 103 1.015 5.678 5.863 1.00 0.00 C ATOM 1582 C LYS A 103 2.280 6.428 5.460 1.00 0.00 C ATOM 1583 O LYS A 103 3.158 5.875 4.797 1.00 0.00 O ATOM 1584 CB LYS A 103 1.122 5.222 7.320 1.00 0.00 C ATOM 1585 CG LYS A 103 -0.051 4.373 7.779 1.00 0.00 C ATOM 1586 CD LYS A 103 0.214 3.742 9.135 1.00 0.00 C ATOM 1587 CE LYS A 103 -1.018 3.029 9.669 1.00 0.00 C ATOM 1588 NZ LYS A 103 -0.710 2.220 10.881 1.00 0.00 N ATOM 0 H LYS A 103 1.612 3.942 4.848 1.00 0.00 H new ATOM 0 HA LYS A 103 0.165 6.353 5.761 1.00 0.00 H new ATOM 0 HB2 LYS A 103 2.043 4.653 7.447 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.198 6.100 7.962 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.948 4.989 7.833 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.245 3.591 7.045 1.00 0.00 H new ATOM 0 HD2 LYS A 103 1.038 3.034 9.053 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.525 4.512 9.841 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -1.787 3.763 9.909 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -1.427 2.381 8.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -1.576 1.750 11.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 0.005 1.502 10.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -0.344 2.842 11.630 1.00 0.00 H new ATOM 1602 N PHE A 104 2.368 7.691 5.866 1.00 0.00 N ATOM 1603 CA PHE A 104 3.527 8.517 5.548 1.00 0.00 C ATOM 1604 C PHE A 104 3.961 9.335 6.761 1.00 0.00 C ATOM 1605 O PHE A 104 3.285 10.284 7.156 1.00 0.00 O ATOM 1606 CB PHE A 104 3.209 9.450 4.377 1.00 0.00 C ATOM 1607 CG PHE A 104 4.278 10.473 4.118 1.00 0.00 C ATOM 1608 CD1 PHE A 104 5.614 10.108 4.101 1.00 0.00 C ATOM 1609 CD2 PHE A 104 3.946 11.799 3.892 1.00 0.00 C ATOM 1610 CE1 PHE A 104 6.601 11.047 3.863 1.00 0.00 C ATOM 1611 CE2 PHE A 104 4.927 12.742 3.653 1.00 0.00 C ATOM 1612 CZ PHE A 104 6.256 12.366 3.639 1.00 0.00 C ATOM 0 H PHE A 104 1.651 8.164 6.416 1.00 0.00 H new ATOM 0 HA PHE A 104 4.346 7.856 5.265 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.063 8.853 3.477 1.00 0.00 H new ATOM 0 HB3 PHE A 104 2.268 9.962 4.576 1.00 0.00 H new ATOM 0 HD1 PHE A 104 5.888 9.078 4.276 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.909 12.099 3.903 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.639 10.750 3.852 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.655 13.772 3.477 1.00 0.00 H new ATOM 0 HZ PHE A 104 7.024 13.102 3.453 1.00 0.00 H new ATOM 1622 N GLN A 105 5.094 8.958 7.346 1.00 0.00 N ATOM 1623 CA GLN A 105 5.618 9.655 8.515 1.00 0.00 C ATOM 1624 C GLN A 105 4.557 9.763 9.605 1.00 0.00 C ATOM 1625 O GLN A 105 4.549 10.715 10.385 1.00 0.00 O ATOM 1626 CB GLN A 105 6.109 11.050 8.124 1.00 0.00 C ATOM 1627 CG GLN A 105 7.364 11.036 7.267 1.00 0.00 C ATOM 1628 CD GLN A 105 8.194 12.294 7.427 1.00 0.00 C ATOM 1629 OE1 GLN A 105 8.742 12.559 8.497 1.00 0.00 O ATOM 1630 NE2 GLN A 105 8.292 13.079 6.360 1.00 0.00 N ATOM 0 H GLN A 105 5.666 8.175 7.030 1.00 0.00 H new ATOM 0 HA GLN A 105 6.456 9.078 8.906 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.316 11.567 7.583 1.00 0.00 H new ATOM 0 HB3 GLN A 105 6.304 11.624 9.030 1.00 0.00 H new ATOM 0 HG2 GLN A 105 7.970 10.169 7.531 1.00 0.00 H new ATOM 0 HG3 GLN A 105 7.083 10.921 6.220 1.00 0.00 H new ATOM 0 HE21 GLN A 105 7.821 12.821 5.492 1.00 0.00 H new ATOM 0 HE22 GLN A 105 8.838 13.939 6.408 1.00 0.00 H new ATOM 1639 N GLY A 106 3.663 8.780 9.654 1.00 0.00 N ATOM 1640 CA GLY A 106 2.610 8.784 10.652 1.00 0.00 C ATOM 1641 C GLY A 106 1.376 9.533 10.190 1.00 0.00 C ATOM 1642 O GLY A 106 0.766 10.273 10.963 1.00 0.00 O ATOM 0 H GLY A 106 3.649 7.981 9.020 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.338 7.756 10.893 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.985 9.238 11.569 1.00 0.00 H new ATOM 1646 N GLN A 107 1.008 9.344 8.927 1.00 0.00 N ATOM 1647 CA GLN A 107 -0.160 10.010 8.364 1.00 0.00 C ATOM 1648 C GLN A 107 -0.705 9.234 7.169 1.00 0.00 C ATOM 1649 O GLN A 107 0.011 8.984 6.199 1.00 0.00 O ATOM 1650 CB GLN A 107 0.195 11.437 7.942 1.00 0.00 C ATOM 1651 CG GLN A 107 0.645 12.318 9.096 1.00 0.00 C ATOM 1652 CD GLN A 107 1.055 13.706 8.644 1.00 0.00 C ATOM 1653 OE1 GLN A 107 0.262 14.647 8.693 1.00 0.00 O ATOM 1654 NE2 GLN A 107 2.300 13.842 8.201 1.00 0.00 N ATOM 0 H GLN A 107 1.502 8.735 8.274 1.00 0.00 H new ATOM 0 HA GLN A 107 -0.932 10.047 9.132 1.00 0.00 H new ATOM 0 HB2 GLN A 107 0.987 11.399 7.194 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.673 11.892 7.465 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -0.164 12.400 9.822 1.00 0.00 H new ATOM 0 HG3 GLN A 107 1.484 11.843 9.605 1.00 0.00 H new ATOM 0 HE21 GLN A 107 2.924 13.035 8.177 1.00 0.00 H new ATOM 0 HE22 GLN A 107 2.632 14.753 7.884 1.00 0.00 H new ATOM 1663 N HIS A 108 -1.977 8.856 7.246 1.00 0.00 N ATOM 1664 CA HIS A 108 -2.619 8.109 6.171 1.00 0.00 C ATOM 1665 C HIS A 108 -2.550 8.881 4.856 1.00 0.00 C ATOM 1666 O HIS A 108 -2.611 10.111 4.843 1.00 0.00 O ATOM 1667 CB HIS A 108 -4.077 7.813 6.526 1.00 0.00 C ATOM 1668 CG HIS A 108 -4.254 6.571 7.344 1.00 0.00 C ATOM 1669 ND1 HIS A 108 -4.449 5.325 6.787 1.00 0.00 N ATOM 1670 CD2 HIS A 108 -4.262 6.388 8.685 1.00 0.00 C ATOM 1671 CE1 HIS A 108 -4.572 4.429 7.751 1.00 0.00 C ATOM 1672 NE2 HIS A 108 -4.461 5.049 8.912 1.00 0.00 N ATOM 0 H HIS A 108 -2.583 9.055 8.042 1.00 0.00 H new ATOM 0 HA HIS A 108 -2.085 7.167 6.048 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -4.488 8.661 7.074 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -4.654 7.718 5.606 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -4.135 7.153 9.437 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -4.735 3.370 7.613 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -4.514 4.605 9.829 1.00 0.00 H new ATOM 1681 N VAL A 109 -2.422 8.151 3.753 1.00 0.00 N ATOM 1682 CA VAL A 109 -2.345 8.767 2.434 1.00 0.00 C ATOM 1683 C VAL A 109 -3.596 8.469 1.614 1.00 0.00 C ATOM 1684 O VAL A 109 -4.010 9.274 0.781 1.00 0.00 O ATOM 1685 CB VAL A 109 -1.108 8.278 1.657 1.00 0.00 C ATOM 1686 CG1 VAL A 109 -1.096 8.857 0.251 1.00 0.00 C ATOM 1687 CG2 VAL A 109 0.167 8.643 2.403 1.00 0.00 C ATOM 0 H VAL A 109 -2.369 7.132 3.747 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.264 9.843 2.592 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.158 7.192 1.576 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.215 8.500 -0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.994 8.541 -0.280 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.071 9.945 0.306 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.031 8.290 1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.225 9.726 2.516 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.159 8.175 3.387 1.00 0.00 H new ATOM 1697 N ALA A 110 -4.193 7.307 1.857 1.00 0.00 N ATOM 1698 CA ALA A 110 -5.398 6.904 1.144 1.00 0.00 C ATOM 1699 C ALA A 110 -6.516 6.540 2.116 1.00 0.00 C ATOM 1700 O ALA A 110 -6.365 6.674 3.330 1.00 0.00 O ATOM 1701 CB ALA A 110 -5.098 5.733 0.220 1.00 0.00 C ATOM 0 H ALA A 110 -3.861 6.628 2.542 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.735 7.749 0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -6.007 5.443 -0.306 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.338 6.026 -0.504 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -4.734 4.890 0.807 1.00 0.00 H new ATOM 1707 N LYS A 111 -7.638 6.079 1.574 1.00 0.00 N ATOM 1708 CA LYS A 111 -8.782 5.695 2.392 1.00 0.00 C ATOM 1709 C LYS A 111 -8.542 4.347 3.064 1.00 0.00 C ATOM 1710 O LYS A 111 -9.379 3.448 2.989 1.00 0.00 O ATOM 1711 CB LYS A 111 -10.049 5.632 1.537 1.00 0.00 C ATOM 1712 CG LYS A 111 -10.808 6.947 1.476 1.00 0.00 C ATOM 1713 CD LYS A 111 -11.842 7.046 2.585 1.00 0.00 C ATOM 1714 CE LYS A 111 -11.246 7.639 3.852 1.00 0.00 C ATOM 1715 NZ LYS A 111 -10.595 8.953 3.596 1.00 0.00 N ATOM 0 H LYS A 111 -7.779 5.962 0.571 1.00 0.00 H new ATOM 0 HA LYS A 111 -8.912 6.450 3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -9.780 5.330 0.525 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.708 4.860 1.935 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -10.106 7.777 1.556 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -11.301 7.039 0.508 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -12.677 7.662 2.251 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -12.243 6.055 2.799 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -12.030 7.762 4.599 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -10.515 6.946 4.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -10.643 9.537 4.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -9.600 8.802 3.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -11.087 9.439 2.819 1.00 0.00 H new ATOM 1729 N SER A 112 -7.394 4.214 3.721 1.00 0.00 N ATOM 1730 CA SER A 112 -7.043 2.974 4.404 1.00 0.00 C ATOM 1731 C SER A 112 -7.483 3.015 5.864 1.00 0.00 C ATOM 1732 O SER A 112 -7.729 4.077 6.435 1.00 0.00 O ATOM 1733 CB SER A 112 -5.535 2.730 4.320 1.00 0.00 C ATOM 1734 OG SER A 112 -5.206 1.954 3.181 1.00 0.00 O ATOM 0 H SER A 112 -6.691 4.950 3.795 1.00 0.00 H new ATOM 0 HA SER A 112 -7.564 2.155 3.909 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.011 3.685 4.277 1.00 0.00 H new ATOM 0 HB3 SER A 112 -5.195 2.220 5.222 1.00 0.00 H new ATOM 0 HG SER A 112 -5.979 1.911 2.580 1.00 0.00 H new ATOM 1740 N PRO A 113 -7.586 1.830 6.483 1.00 0.00 N ATOM 1741 CA PRO A 113 -7.296 0.558 5.813 1.00 0.00 C ATOM 1742 C PRO A 113 -8.341 0.208 4.759 1.00 0.00 C ATOM 1743 O PRO A 113 -9.392 0.843 4.678 1.00 0.00 O ATOM 1744 CB PRO A 113 -7.327 -0.460 6.956 1.00 0.00 C ATOM 1745 CG PRO A 113 -8.209 0.155 7.987 1.00 0.00 C ATOM 1746 CD PRO A 113 -7.992 1.639 7.886 1.00 0.00 C ATOM 0 HA PRO A 113 -6.348 0.587 5.275 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -7.720 -1.420 6.621 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -6.327 -0.644 7.349 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -9.254 -0.100 7.809 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -7.958 -0.209 8.983 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -8.900 2.195 8.121 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -7.222 1.980 8.577 1.00 0.00 H new ATOM 1754 N TYR A 114 -8.045 -0.806 3.954 1.00 0.00 N ATOM 1755 CA TYR A 114 -8.958 -1.240 2.903 1.00 0.00 C ATOM 1756 C TYR A 114 -9.450 -2.661 3.161 1.00 0.00 C ATOM 1757 O TYR A 114 -8.653 -3.579 3.357 1.00 0.00 O ATOM 1758 CB TYR A 114 -8.271 -1.166 1.539 1.00 0.00 C ATOM 1759 CG TYR A 114 -8.279 0.219 0.930 1.00 0.00 C ATOM 1760 CD1 TYR A 114 -9.429 0.734 0.345 1.00 0.00 C ATOM 1761 CD2 TYR A 114 -7.138 1.011 0.940 1.00 0.00 C ATOM 1762 CE1 TYR A 114 -9.442 1.998 -0.213 1.00 0.00 C ATOM 1763 CE2 TYR A 114 -7.142 2.276 0.387 1.00 0.00 C ATOM 1764 CZ TYR A 114 -8.296 2.765 -0.189 1.00 0.00 C ATOM 1765 OH TYR A 114 -8.304 4.025 -0.743 1.00 0.00 O ATOM 0 H TYR A 114 -7.180 -1.343 4.009 1.00 0.00 H new ATOM 0 HA TYR A 114 -9.819 -0.571 2.906 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -7.239 -1.502 1.643 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -8.764 -1.857 0.855 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -10.328 0.136 0.326 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -6.232 0.631 1.388 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -10.344 2.383 -0.665 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -6.246 2.879 0.405 1.00 0.00 H new ATOM 0 HH TYR A 114 -9.097 4.128 -1.310 1.00 0.00 H new ATOM 1775 N ILE A 115 -10.767 -2.833 3.158 1.00 0.00 N ATOM 1776 CA ILE A 115 -11.367 -4.142 3.390 1.00 0.00 C ATOM 1777 C ILE A 115 -11.893 -4.743 2.091 1.00 0.00 C ATOM 1778 O ILE A 115 -12.916 -4.307 1.562 1.00 0.00 O ATOM 1779 CB ILE A 115 -12.519 -4.061 4.409 1.00 0.00 C ATOM 1780 CG1 ILE A 115 -12.152 -3.112 5.551 1.00 0.00 C ATOM 1781 CG2 ILE A 115 -12.847 -5.445 4.947 1.00 0.00 C ATOM 1782 CD1 ILE A 115 -10.725 -3.262 6.028 1.00 0.00 C ATOM 0 H ILE A 115 -11.439 -2.083 2.998 1.00 0.00 H new ATOM 0 HA ILE A 115 -10.582 -4.782 3.792 1.00 0.00 H new ATOM 0 HB ILE A 115 -13.403 -3.669 3.907 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -12.311 -2.085 5.224 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -12.827 -3.287 6.389 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -13.663 -5.372 5.666 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -13.146 -6.094 4.124 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -11.968 -5.863 5.437 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -10.536 -2.558 6.838 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -10.566 -4.279 6.387 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -10.042 -3.057 5.203 1.00 0.00 H new ATOM 1794 N LEU A 116 -11.188 -5.748 1.583 1.00 0.00 N ATOM 1795 CA LEU A 116 -11.584 -6.412 0.346 1.00 0.00 C ATOM 1796 C LEU A 116 -11.938 -7.873 0.601 1.00 0.00 C ATOM 1797 O LEU A 116 -11.056 -8.715 0.776 1.00 0.00 O ATOM 1798 CB LEU A 116 -10.460 -6.320 -0.688 1.00 0.00 C ATOM 1799 CG LEU A 116 -9.848 -4.934 -0.893 1.00 0.00 C ATOM 1800 CD1 LEU A 116 -8.380 -5.050 -1.275 1.00 0.00 C ATOM 1801 CD2 LEU A 116 -10.618 -4.162 -1.954 1.00 0.00 C ATOM 0 H LEU A 116 -10.339 -6.121 2.009 1.00 0.00 H new ATOM 0 HA LEU A 116 -12.468 -5.906 -0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -9.666 -7.006 -0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -10.845 -6.670 -1.646 1.00 0.00 H new ATOM 0 HG LEU A 116 -9.916 -4.386 0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -7.961 -4.054 -1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -7.837 -5.562 -0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.289 -5.617 -2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -10.168 -3.178 -2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -10.583 -4.707 -2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -11.655 -4.047 -1.639 1.00 0.00 H new ATOM 1813 N LYS A 117 -13.233 -8.169 0.621 1.00 0.00 N ATOM 1814 CA LYS A 117 -13.705 -9.529 0.851 1.00 0.00 C ATOM 1815 C LYS A 117 -14.715 -9.942 -0.214 1.00 0.00 C ATOM 1816 O LYS A 117 -15.432 -10.928 -0.053 1.00 0.00 O ATOM 1817 CB LYS A 117 -14.337 -9.643 2.240 1.00 0.00 C ATOM 1818 CG LYS A 117 -15.607 -8.825 2.399 1.00 0.00 C ATOM 1819 CD LYS A 117 -15.307 -7.421 2.898 1.00 0.00 C ATOM 1820 CE LYS A 117 -16.568 -6.574 2.972 1.00 0.00 C ATOM 1821 NZ LYS A 117 -17.389 -6.906 4.169 1.00 0.00 N ATOM 0 H LYS A 117 -13.975 -7.484 0.480 1.00 0.00 H new ATOM 0 HA LYS A 117 -12.847 -10.199 0.792 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -14.561 -10.690 2.443 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -13.612 -9.322 2.988 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -16.127 -8.769 1.443 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -16.278 -9.325 3.098 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -14.846 -7.475 3.884 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -14.586 -6.944 2.234 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -16.296 -5.519 2.999 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -17.162 -6.727 2.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -18.239 -6.308 4.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -17.670 -7.906 4.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -16.831 -6.736 5.030 1.00 0.00 H new