USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 804 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 89 SER OG : rot -156:sc= 1.09 USER MOD Set 1.2: A 109 TYR OH : rot 180:sc= 0.645 USER MOD Set 2.1: A 49 THR OG1 : rot 58:sc= 0.809 USER MOD Set 2.2: A 52 CYS SG : rot 111:sc= 0.871 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 175:sc= -0.206 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -145:sc= -4.22! (180deg=-7.42!) USER MOD Single : A 26 LYS NZ :NH3+ 178:sc= -4.1! (180deg=-4.26!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -162:sc= -1.47! (180deg=-2.09!) USER MOD Single : A 33 LYS NZ :NH3+ 140:sc= -6.91! (180deg=-8.98!) USER MOD Single : A 36 ASN : amide:sc= -0.295 K(o=-0.3,f=-1.9!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -7.3! C(o=-7.3!,f=-6.9!) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 CYS SG : rot -103:sc= 0.846 USER MOD Single : A 51 ASN : amide:sc= -0.0352 K(o=-0.035,f=-0.6) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.0036) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.528 X(o=-0.53,f=-0.96) USER MOD Single : A 67 GLN : amide:sc= -0.0896 K(o=-0.09,f=-1.2!) USER MOD Single : A 71 MET CE :methyl -165:sc=-0.00449 (180deg=-0.379) USER MOD Single : A 74 SER OG : rot -6:sc= -0.624 USER MOD Single : A 75 SER OG : rot -83:sc= 1.1 USER MOD Single : A 78 ASN : amide:sc= -0.177 K(o=-0.18,f=-1.9!) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.44 USER MOD Single : A 83 GLN : amide:sc= 0.375 K(o=0.37,f=-0.61) USER MOD Single : A 88 MET CE :methyl -138:sc= -1.04 (180deg=-3.19!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 94:sc= 0.181 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 ASN : amide:sc= -0.169 K(o=-0.17,f=-1.9!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 CYS SG : rot 14:sc= 0.76 USER MOD ----------------------------------------------------------------- ATOM 120 N ARG A 11 9.374 20.459 1.805 1.00 0.00 N ATOM 121 CA ARG A 11 10.129 19.469 1.046 1.00 0.00 C ATOM 122 C ARG A 11 9.241 18.788 0.009 1.00 0.00 C ATOM 123 O ARG A 11 9.528 18.824 -1.189 1.00 0.00 O ATOM 124 CB ARG A 11 10.727 18.422 1.987 1.00 0.00 C ATOM 125 CG ARG A 11 11.940 18.919 2.758 1.00 0.00 C ATOM 126 CD ARG A 11 13.206 18.831 1.921 1.00 0.00 C ATOM 127 NE ARG A 11 14.361 19.397 2.614 1.00 0.00 N ATOM 128 CZ ARG A 11 14.562 20.702 2.762 1.00 0.00 C ATOM 129 NH1 ARG A 11 13.690 21.570 2.269 1.00 0.00 N ATOM 130 NH2 ARG A 11 15.636 21.140 3.405 1.00 0.00 N ATOM 0 HA ARG A 11 10.937 19.984 0.526 1.00 0.00 H new ATOM 0 HB2 ARG A 11 9.962 18.103 2.695 1.00 0.00 H new ATOM 0 HB3 ARG A 11 11.010 17.544 1.407 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.778 19.952 3.067 1.00 0.00 H new ATOM 0 HG3 ARG A 11 12.062 18.329 3.667 1.00 0.00 H new ATOM 0 HD2 ARG A 11 13.406 17.788 1.675 1.00 0.00 H new ATOM 0 HD3 ARG A 11 13.055 19.357 0.979 1.00 0.00 H new ATOM 0 HE ARG A 11 15.051 18.755 3.005 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.862 21.237 1.775 1.00 0.00 H new ATOM 0 HH12 ARG A 11 13.847 22.571 2.384 1.00 0.00 H new ATOM 0 HH21 ARG A 11 16.309 20.475 3.786 1.00 0.00 H new ATOM 0 HH22 ARG A 11 15.789 22.142 3.518 1.00 0.00 H new ATOM 144 N LEU A 12 8.163 18.167 0.476 1.00 0.00 N ATOM 145 CA LEU A 12 7.234 17.477 -0.411 1.00 0.00 C ATOM 146 C LEU A 12 6.546 18.461 -1.352 1.00 0.00 C ATOM 147 O LEU A 12 6.454 19.658 -1.079 1.00 0.00 O ATOM 148 CB LEU A 12 6.186 16.719 0.406 1.00 0.00 C ATOM 149 CG LEU A 12 6.636 15.384 1.001 1.00 0.00 C ATOM 150 CD1 LEU A 12 5.611 14.873 2.002 1.00 0.00 C ATOM 151 CD2 LEU A 12 6.865 14.359 -0.100 1.00 0.00 C ATOM 0 H LEU A 12 7.911 18.127 1.464 1.00 0.00 H new ATOM 0 HA LEU A 12 7.803 16.767 -1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.853 17.363 1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.320 16.537 -0.231 1.00 0.00 H new ATOM 0 HG LEU A 12 7.579 15.542 1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.948 13.922 2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.496 15.598 2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.653 14.732 1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.185 13.415 0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.938 14.205 -0.652 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.637 14.721 -0.779 1.00 0.00 H new ATOM 163 N PRO A 13 6.050 17.947 -2.487 1.00 0.00 N ATOM 164 CA PRO A 13 5.360 18.762 -3.491 1.00 0.00 C ATOM 165 C PRO A 13 4.001 19.253 -3.004 1.00 0.00 C ATOM 166 O PRO A 13 3.035 18.492 -2.962 1.00 0.00 O ATOM 167 CB PRO A 13 5.190 17.804 -4.672 1.00 0.00 C ATOM 168 CG PRO A 13 5.200 16.445 -4.061 1.00 0.00 C ATOM 169 CD PRO A 13 6.125 16.529 -2.878 1.00 0.00 C ATOM 0 HA PRO A 13 5.918 19.666 -3.735 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.257 17.992 -5.204 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.998 17.919 -5.395 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.198 16.149 -3.752 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.547 15.699 -4.775 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.804 15.872 -2.070 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.142 16.238 -3.141 1.00 0.00 H new ATOM 177 N GLU A 14 3.934 20.529 -2.636 1.00 0.00 N ATOM 178 CA GLU A 14 2.692 21.119 -2.152 1.00 0.00 C ATOM 179 C GLU A 14 1.562 20.913 -3.157 1.00 0.00 C ATOM 180 O GLU A 14 0.389 20.856 -2.788 1.00 0.00 O ATOM 181 CB GLU A 14 2.883 22.613 -1.882 1.00 0.00 C ATOM 182 CG GLU A 14 3.255 23.413 -3.120 1.00 0.00 C ATOM 183 CD GLU A 14 3.605 24.853 -2.801 1.00 0.00 C ATOM 184 OE1 GLU A 14 4.592 25.076 -2.069 1.00 0.00 O ATOM 185 OE2 GLU A 14 2.892 25.757 -3.284 1.00 0.00 O ATOM 0 H GLU A 14 4.725 21.173 -2.664 1.00 0.00 H new ATOM 0 HA GLU A 14 2.422 20.620 -1.221 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.963 23.018 -1.461 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.661 22.741 -1.130 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.103 22.938 -3.614 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.423 23.393 -3.824 1.00 0.00 H new ATOM 192 N THR A 15 1.925 20.803 -4.432 1.00 0.00 N ATOM 193 CA THR A 15 0.945 20.605 -5.491 1.00 0.00 C ATOM 194 C THR A 15 0.423 19.172 -5.497 1.00 0.00 C ATOM 195 O THR A 15 -0.324 18.777 -6.393 1.00 0.00 O ATOM 196 CB THR A 15 1.540 20.927 -6.875 1.00 0.00 C ATOM 197 OG1 THR A 15 2.624 20.037 -7.162 1.00 0.00 O ATOM 198 CG2 THR A 15 2.030 22.366 -6.931 1.00 0.00 C ATOM 0 H THR A 15 2.891 20.848 -4.755 1.00 0.00 H new ATOM 0 HA THR A 15 0.121 21.289 -5.289 1.00 0.00 H new ATOM 0 HB THR A 15 0.757 20.797 -7.622 1.00 0.00 H new ATOM 0 HG1 THR A 15 2.995 20.247 -8.044 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.446 22.571 -7.918 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.196 23.042 -6.741 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.800 22.518 -6.174 1.00 0.00 H new ATOM 206 N ILE A 16 0.819 18.399 -4.491 1.00 0.00 N ATOM 207 CA ILE A 16 0.389 17.011 -4.380 1.00 0.00 C ATOM 208 C ILE A 16 0.074 16.647 -2.933 1.00 0.00 C ATOM 209 O ILE A 16 0.524 17.316 -2.002 1.00 0.00 O ATOM 210 CB ILE A 16 1.461 16.045 -4.919 1.00 0.00 C ATOM 211 CG1 ILE A 16 2.009 16.550 -6.255 1.00 0.00 C ATOM 212 CG2 ILE A 16 0.883 14.646 -5.072 1.00 0.00 C ATOM 213 CD1 ILE A 16 3.194 15.757 -6.760 1.00 0.00 C ATOM 0 H ILE A 16 1.437 18.711 -3.742 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.514 16.911 -4.982 1.00 0.00 H new ATOM 0 HB ILE A 16 2.283 16.002 -4.204 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.215 16.516 -7.001 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.300 17.595 -6.147 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.652 13.974 -5.454 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.537 14.287 -4.103 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.046 14.673 -5.769 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.530 16.171 -7.711 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.005 15.812 -6.034 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.902 14.716 -6.900 1.00 0.00 H new ATOM 225 N ASP A 17 -0.701 15.584 -2.752 1.00 0.00 N ATOM 226 CA ASP A 17 -1.075 15.128 -1.418 1.00 0.00 C ATOM 227 C ASP A 17 -0.974 13.610 -1.314 1.00 0.00 C ATOM 228 O ASP A 17 -1.807 12.883 -1.856 1.00 0.00 O ATOM 229 CB ASP A 17 -2.496 15.582 -1.081 1.00 0.00 C ATOM 230 CG ASP A 17 -2.903 15.209 0.332 1.00 0.00 C ATOM 231 OD1 ASP A 17 -2.116 15.474 1.265 1.00 0.00 O ATOM 232 OD2 ASP A 17 -4.007 14.652 0.504 1.00 0.00 O ATOM 0 H ASP A 17 -1.083 15.021 -3.512 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.382 15.569 -0.702 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.568 16.663 -1.203 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.195 15.134 -1.788 1.00 0.00 H new ATOM 237 N LEU A 18 0.052 13.137 -0.614 1.00 0.00 N ATOM 238 CA LEU A 18 0.263 11.704 -0.440 1.00 0.00 C ATOM 239 C LEU A 18 -1.068 10.964 -0.354 1.00 0.00 C ATOM 240 O LEU A 18 -1.307 10.008 -1.091 1.00 0.00 O ATOM 241 CB LEU A 18 1.088 11.440 0.821 1.00 0.00 C ATOM 242 CG LEU A 18 2.604 11.379 0.631 1.00 0.00 C ATOM 243 CD1 LEU A 18 3.319 11.744 1.923 1.00 0.00 C ATOM 244 CD2 LEU A 18 3.027 9.997 0.157 1.00 0.00 C ATOM 0 H LEU A 18 0.750 13.725 -0.158 1.00 0.00 H new ATOM 0 HA LEU A 18 0.808 11.334 -1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.864 12.221 1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.758 10.496 1.256 1.00 0.00 H new ATOM 0 HG LEU A 18 2.885 12.104 -0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.397 11.695 1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.040 12.755 2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.033 11.044 2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.109 9.972 0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.733 9.253 0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.542 9.774 -0.794 1.00 0.00 H new ATOM 256 N GLY A 19 -1.933 11.415 0.549 1.00 0.00 N ATOM 257 CA GLY A 19 -3.231 10.785 0.712 1.00 0.00 C ATOM 258 C GLY A 19 -3.936 10.558 -0.610 1.00 0.00 C ATOM 259 O GLY A 19 -4.394 9.452 -0.895 1.00 0.00 O ATOM 0 H GLY A 19 -1.759 12.205 1.170 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.106 9.830 1.222 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.856 11.408 1.351 1.00 0.00 H new ATOM 263 N ALA A 20 -4.024 11.608 -1.420 1.00 0.00 N ATOM 264 CA ALA A 20 -4.678 11.518 -2.719 1.00 0.00 C ATOM 265 C ALA A 20 -3.940 10.552 -3.639 1.00 0.00 C ATOM 266 O ALA A 20 -4.559 9.830 -4.423 1.00 0.00 O ATOM 267 CB ALA A 20 -4.769 12.895 -3.361 1.00 0.00 C ATOM 0 H ALA A 20 -3.650 12.531 -1.199 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.686 11.134 -2.565 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.260 12.813 -4.331 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.346 13.559 -2.718 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.766 13.301 -3.495 1.00 0.00 H new ATOM 273 N LEU A 21 -2.616 10.542 -3.539 1.00 0.00 N ATOM 274 CA LEU A 21 -1.793 9.663 -4.364 1.00 0.00 C ATOM 275 C LEU A 21 -2.068 8.198 -4.041 1.00 0.00 C ATOM 276 O LEU A 21 -2.343 7.397 -4.935 1.00 0.00 O ATOM 277 CB LEU A 21 -0.310 9.974 -4.151 1.00 0.00 C ATOM 278 CG LEU A 21 0.663 9.296 -5.117 1.00 0.00 C ATOM 279 CD1 LEU A 21 0.021 8.070 -5.748 1.00 0.00 C ATOM 280 CD2 LEU A 21 1.117 10.274 -6.190 1.00 0.00 C ATOM 0 H LEU A 21 -2.089 11.132 -2.895 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.050 9.840 -5.409 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.171 11.053 -4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.041 9.686 -3.135 1.00 0.00 H new ATOM 0 HG LEU A 21 1.539 8.973 -4.554 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.728 7.601 -6.432 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.254 7.361 -4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.872 8.369 -6.297 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.809 9.775 -6.868 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.251 10.627 -6.750 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.617 11.122 -5.722 1.00 0.00 H new ATOM 292 N TYR A 22 -1.996 7.856 -2.760 1.00 0.00 N ATOM 293 CA TYR A 22 -2.237 6.487 -2.320 1.00 0.00 C ATOM 294 C TYR A 22 -3.554 5.959 -2.880 1.00 0.00 C ATOM 295 O TYR A 22 -3.687 4.769 -3.169 1.00 0.00 O ATOM 296 CB TYR A 22 -2.255 6.416 -0.792 1.00 0.00 C ATOM 297 CG TYR A 22 -2.894 5.157 -0.252 1.00 0.00 C ATOM 298 CD1 TYR A 22 -2.176 3.970 -0.171 1.00 0.00 C ATOM 299 CD2 TYR A 22 -4.215 5.154 0.178 1.00 0.00 C ATOM 300 CE1 TYR A 22 -2.756 2.817 0.321 1.00 0.00 C ATOM 301 CE2 TYR A 22 -4.803 4.006 0.673 1.00 0.00 C ATOM 302 CZ TYR A 22 -4.069 2.840 0.742 1.00 0.00 C ATOM 303 OH TYR A 22 -4.651 1.693 1.233 1.00 0.00 O ATOM 0 H TYR A 22 -1.773 8.508 -2.008 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.426 5.863 -2.697 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.232 6.482 -0.422 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.791 7.281 -0.403 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.147 3.949 -0.498 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.792 6.065 0.124 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.184 1.902 0.376 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.831 4.021 1.004 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.552 1.897 1.560 1.00 0.00 H new ATOM 313 N LEU A 23 -4.526 6.853 -3.031 1.00 0.00 N ATOM 314 CA LEU A 23 -5.834 6.479 -3.558 1.00 0.00 C ATOM 315 C LEU A 23 -5.729 6.041 -5.015 1.00 0.00 C ATOM 316 O LEU A 23 -6.357 5.065 -5.427 1.00 0.00 O ATOM 317 CB LEU A 23 -6.809 7.651 -3.435 1.00 0.00 C ATOM 318 CG LEU A 23 -7.189 8.061 -2.011 1.00 0.00 C ATOM 319 CD1 LEU A 23 -7.678 9.501 -1.983 1.00 0.00 C ATOM 320 CD2 LEU A 23 -8.249 7.124 -1.451 1.00 0.00 C ATOM 0 H LEU A 23 -4.433 7.841 -2.796 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.208 5.640 -2.972 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.373 8.515 -3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.721 7.397 -3.974 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.301 7.988 -1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.944 9.775 -0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.888 10.161 -2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.553 9.601 -2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.507 7.431 -0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.139 7.164 -2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.862 6.105 -1.434 1.00 0.00 H new ATOM 332 N SER A 24 -4.931 6.767 -5.790 1.00 0.00 N ATOM 333 CA SER A 24 -4.745 6.455 -7.203 1.00 0.00 C ATOM 334 C SER A 24 -4.106 5.080 -7.375 1.00 0.00 C ATOM 335 O SER A 24 -4.354 4.388 -8.363 1.00 0.00 O ATOM 336 CB SER A 24 -3.875 7.521 -7.872 1.00 0.00 C ATOM 337 OG SER A 24 -4.613 8.709 -8.103 1.00 0.00 O ATOM 0 H SER A 24 -4.402 7.576 -5.464 1.00 0.00 H new ATOM 0 HA SER A 24 -5.725 6.444 -7.680 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.014 7.741 -7.241 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.489 7.139 -8.817 1.00 0.00 H new ATOM 0 HG SER A 24 -4.035 9.375 -8.530 1.00 0.00 H new ATOM 343 N MET A 25 -3.283 4.691 -6.407 1.00 0.00 N ATOM 344 CA MET A 25 -2.610 3.398 -6.451 1.00 0.00 C ATOM 345 C MET A 25 -3.565 2.274 -6.064 1.00 0.00 C ATOM 346 O MET A 25 -3.308 1.103 -6.344 1.00 0.00 O ATOM 347 CB MET A 25 -1.399 3.398 -5.515 1.00 0.00 C ATOM 348 CG MET A 25 -0.580 4.677 -5.581 1.00 0.00 C ATOM 349 SD MET A 25 0.876 4.625 -4.519 1.00 0.00 S ATOM 350 CE MET A 25 2.159 5.087 -5.679 1.00 0.00 C ATOM 0 H MET A 25 -3.066 5.252 -5.583 1.00 0.00 H new ATOM 0 HA MET A 25 -2.272 3.227 -7.473 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.741 3.248 -4.491 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.758 2.552 -5.764 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.268 4.851 -6.611 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.207 5.520 -5.291 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.076 4.547 -5.442 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.842 4.837 -6.691 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.342 6.159 -5.611 1.00 0.00 H new ATOM 360 N LYS A 26 -4.670 2.637 -5.421 1.00 0.00 N ATOM 361 CA LYS A 26 -5.665 1.660 -4.996 1.00 0.00 C ATOM 362 C LYS A 26 -6.547 1.238 -6.167 1.00 0.00 C ATOM 363 O LYS A 26 -7.238 0.221 -6.102 1.00 0.00 O ATOM 364 CB LYS A 26 -6.531 2.237 -3.874 1.00 0.00 C ATOM 365 CG LYS A 26 -5.831 2.278 -2.527 1.00 0.00 C ATOM 366 CD LYS A 26 -6.803 2.029 -1.386 1.00 0.00 C ATOM 367 CE LYS A 26 -7.995 2.971 -1.453 1.00 0.00 C ATOM 368 NZ LYS A 26 -7.771 4.208 -0.654 1.00 0.00 N ATOM 0 H LYS A 26 -4.899 3.602 -5.183 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.139 0.781 -4.624 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.838 3.247 -4.146 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.439 1.641 -3.784 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.041 1.527 -2.503 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.353 3.248 -2.394 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.151 0.997 -1.422 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.289 2.159 -0.434 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.187 3.240 -2.492 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.884 2.458 -1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.592 4.839 -0.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.646 3.957 0.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.918 4.694 -0.998 1.00 0.00 H new ATOM 382 N ASP A 27 -6.517 2.024 -7.238 1.00 0.00 N ATOM 383 CA ASP A 27 -7.312 1.731 -8.425 1.00 0.00 C ATOM 384 C ASP A 27 -6.858 0.427 -9.074 1.00 0.00 C ATOM 385 O ASP A 27 -5.700 0.027 -8.947 1.00 0.00 O ATOM 386 CB ASP A 27 -7.208 2.878 -9.430 1.00 0.00 C ATOM 387 CG ASP A 27 -8.393 2.928 -10.376 1.00 0.00 C ATOM 388 OD1 ASP A 27 -8.478 2.056 -11.266 1.00 0.00 O ATOM 389 OD2 ASP A 27 -9.234 3.838 -10.225 1.00 0.00 O ATOM 0 H ASP A 27 -5.950 2.869 -7.308 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.352 1.621 -8.118 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.136 3.823 -8.892 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.290 2.769 -10.008 1.00 0.00 H new ATOM 394 N THR A 28 -7.778 -0.234 -9.769 1.00 0.00 N ATOM 395 CA THR A 28 -7.474 -1.493 -10.437 1.00 0.00 C ATOM 396 C THR A 28 -6.804 -1.254 -11.785 1.00 0.00 C ATOM 397 O THR A 28 -5.937 -2.021 -12.202 1.00 0.00 O ATOM 398 CB THR A 28 -8.745 -2.337 -10.651 1.00 0.00 C ATOM 399 OG1 THR A 28 -8.396 -3.718 -10.802 1.00 0.00 O ATOM 400 CG2 THR A 28 -9.508 -1.864 -11.879 1.00 0.00 C ATOM 0 H THR A 28 -8.741 0.082 -9.884 1.00 0.00 H new ATOM 0 HA THR A 28 -6.790 -2.038 -9.786 1.00 0.00 H new ATOM 0 HB THR A 28 -9.385 -2.218 -9.777 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.209 -4.248 -10.936 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.401 -2.475 -12.010 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.797 -0.821 -11.748 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.873 -1.957 -12.760 1.00 0.00 H new ATOM 408 N GLU A 29 -7.211 -0.184 -12.461 1.00 0.00 N ATOM 409 CA GLU A 29 -6.648 0.155 -13.763 1.00 0.00 C ATOM 410 C GLU A 29 -5.764 1.396 -13.667 1.00 0.00 C ATOM 411 O GLU A 29 -4.814 1.556 -14.433 1.00 0.00 O ATOM 412 CB GLU A 29 -7.766 0.390 -14.780 1.00 0.00 C ATOM 413 CG GLU A 29 -8.993 1.066 -14.192 1.00 0.00 C ATOM 414 CD GLU A 29 -9.840 1.757 -15.243 1.00 0.00 C ATOM 415 OE1 GLU A 29 -10.334 1.063 -16.156 1.00 0.00 O ATOM 416 OE2 GLU A 29 -10.008 2.991 -15.153 1.00 0.00 O ATOM 0 H GLU A 29 -7.927 0.462 -12.129 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.034 -0.683 -14.095 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.381 1.002 -15.596 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.060 -0.567 -15.211 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.599 0.323 -13.674 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.678 1.797 -13.447 1.00 0.00 H new ATOM 423 N LYS A 30 -6.084 2.271 -12.720 1.00 0.00 N ATOM 424 CA LYS A 30 -5.320 3.497 -12.521 1.00 0.00 C ATOM 425 C LYS A 30 -4.440 3.395 -11.279 1.00 0.00 C ATOM 426 O LYS A 30 -3.956 4.402 -10.765 1.00 0.00 O ATOM 427 CB LYS A 30 -6.264 4.695 -12.393 1.00 0.00 C ATOM 428 CG LYS A 30 -7.351 4.729 -13.454 1.00 0.00 C ATOM 429 CD LYS A 30 -6.839 5.316 -14.759 1.00 0.00 C ATOM 430 CE LYS A 30 -6.308 4.234 -15.686 1.00 0.00 C ATOM 431 NZ LYS A 30 -7.407 3.427 -16.285 1.00 0.00 N ATOM 0 H LYS A 30 -6.868 2.154 -12.078 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.677 3.639 -13.389 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.730 4.676 -11.408 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.681 5.614 -12.452 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.721 3.719 -13.629 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.193 5.320 -13.094 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.643 5.859 -15.255 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.049 6.037 -14.550 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.720 4.693 -16.481 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.637 3.578 -15.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.021 2.534 -16.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.122 3.222 -15.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.846 3.961 -17.062 1.00 0.00 H new ATOM 445 N GLY A 31 -4.237 2.170 -10.803 1.00 0.00 N ATOM 446 CA GLY A 31 -3.414 1.960 -9.626 1.00 0.00 C ATOM 447 C GLY A 31 -2.261 1.011 -9.887 1.00 0.00 C ATOM 448 O GLY A 31 -2.155 0.435 -10.970 1.00 0.00 O ATOM 0 H GLY A 31 -4.627 1.320 -11.211 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.022 2.918 -9.285 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.032 1.563 -8.820 1.00 0.00 H new ATOM 452 N ILE A 32 -1.393 0.850 -8.894 1.00 0.00 N ATOM 453 CA ILE A 32 -0.241 -0.034 -9.022 1.00 0.00 C ATOM 454 C ILE A 32 -0.671 -1.497 -9.035 1.00 0.00 C ATOM 455 O ILE A 32 -1.447 -1.936 -8.185 1.00 0.00 O ATOM 456 CB ILE A 32 0.766 0.183 -7.877 1.00 0.00 C ATOM 457 CG1 ILE A 32 1.339 1.601 -7.935 1.00 0.00 C ATOM 458 CG2 ILE A 32 1.881 -0.849 -7.950 1.00 0.00 C ATOM 459 CD1 ILE A 32 1.988 2.043 -6.643 1.00 0.00 C ATOM 0 H ILE A 32 -1.466 1.320 -7.992 1.00 0.00 H new ATOM 0 HA ILE A 32 0.241 0.210 -9.969 1.00 0.00 H new ATOM 0 HB ILE A 32 0.246 0.060 -6.927 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.074 1.655 -8.738 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.539 2.297 -8.187 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.585 -0.683 -7.134 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.457 -1.849 -7.865 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.402 -0.755 -8.903 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.372 3.057 -6.757 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.251 2.022 -5.840 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.810 1.369 -6.399 1.00 0.00 H new ATOM 471 N LYS A 33 -0.160 -2.250 -10.003 1.00 0.00 N ATOM 472 CA LYS A 33 -0.487 -3.665 -10.127 1.00 0.00 C ATOM 473 C LYS A 33 0.330 -4.500 -9.145 1.00 0.00 C ATOM 474 O LYS A 33 1.515 -4.244 -8.937 1.00 0.00 O ATOM 475 CB LYS A 33 -0.232 -4.146 -11.557 1.00 0.00 C ATOM 476 CG LYS A 33 1.205 -3.960 -12.014 1.00 0.00 C ATOM 477 CD LYS A 33 2.050 -5.185 -11.710 1.00 0.00 C ATOM 478 CE LYS A 33 2.018 -6.183 -12.857 1.00 0.00 C ATOM 479 NZ LYS A 33 3.279 -6.970 -12.943 1.00 0.00 N ATOM 0 H LYS A 33 0.483 -1.903 -10.714 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.544 -3.790 -9.892 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.493 -5.202 -11.628 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.893 -3.607 -12.236 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.224 -3.761 -13.085 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.635 -3.089 -11.520 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.079 -4.880 -11.520 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.686 -5.663 -10.800 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.175 -6.861 -12.725 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.856 -5.653 -13.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.056 -7.960 -13.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.887 -6.572 -13.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.777 -6.929 -12.031 1.00 0.00 H new ATOM 493 N GLU A 34 -0.312 -5.499 -8.547 1.00 0.00 N ATOM 494 CA GLU A 34 0.357 -6.371 -7.589 1.00 0.00 C ATOM 495 C GLU A 34 0.698 -7.716 -8.223 1.00 0.00 C ATOM 496 O GLU A 34 0.301 -8.001 -9.354 1.00 0.00 O ATOM 497 CB GLU A 34 -0.526 -6.584 -6.357 1.00 0.00 C ATOM 498 CG GLU A 34 -1.164 -5.307 -5.837 1.00 0.00 C ATOM 499 CD GLU A 34 -2.490 -5.002 -6.506 1.00 0.00 C ATOM 500 OE1 GLU A 34 -3.146 -5.953 -6.982 1.00 0.00 O ATOM 501 OE2 GLU A 34 -2.872 -3.814 -6.555 1.00 0.00 O ATOM 0 H GLU A 34 -1.294 -5.724 -8.709 1.00 0.00 H new ATOM 0 HA GLU A 34 1.285 -5.888 -7.283 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.312 -7.299 -6.603 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.074 -7.030 -5.563 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.316 -5.393 -4.761 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.481 -4.473 -5.997 1.00 0.00 H new ATOM 508 N LEU A 35 1.436 -8.540 -7.487 1.00 0.00 N ATOM 509 CA LEU A 35 1.832 -9.856 -7.977 1.00 0.00 C ATOM 510 C LEU A 35 1.937 -10.855 -6.828 1.00 0.00 C ATOM 511 O LEU A 35 1.712 -10.509 -5.669 1.00 0.00 O ATOM 512 CB LEU A 35 3.169 -9.767 -8.714 1.00 0.00 C ATOM 513 CG LEU A 35 3.341 -8.568 -9.648 1.00 0.00 C ATOM 514 CD1 LEU A 35 4.812 -8.206 -9.785 1.00 0.00 C ATOM 515 CD2 LEU A 35 2.733 -8.863 -11.011 1.00 0.00 C ATOM 0 H LEU A 35 1.772 -8.320 -6.549 1.00 0.00 H new ATOM 0 HA LEU A 35 1.066 -10.205 -8.669 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.969 -9.743 -7.974 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.301 -10.678 -9.297 1.00 0.00 H new ATOM 0 HG LEU A 35 2.817 -7.716 -9.216 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.916 -7.351 -10.453 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.217 -7.952 -8.805 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.359 -9.055 -10.195 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.864 -7.999 -11.663 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.229 -9.728 -11.451 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.670 -9.073 -10.897 1.00 0.00 H new ATOM 527 N ASN A 36 2.281 -12.095 -7.160 1.00 0.00 N ATOM 528 CA ASN A 36 2.418 -13.144 -6.156 1.00 0.00 C ATOM 529 C ASN A 36 3.786 -13.814 -6.252 1.00 0.00 C ATOM 530 O ASN A 36 4.010 -14.674 -7.104 1.00 0.00 O ATOM 531 CB ASN A 36 1.313 -14.189 -6.326 1.00 0.00 C ATOM 532 CG ASN A 36 1.040 -14.509 -7.783 1.00 0.00 C ATOM 533 OD1 ASN A 36 1.920 -14.380 -8.634 1.00 0.00 O ATOM 534 ND2 ASN A 36 -0.185 -14.930 -8.076 1.00 0.00 N ATOM 0 H ASN A 36 2.470 -12.398 -8.115 1.00 0.00 H new ATOM 0 HA ASN A 36 2.326 -12.685 -5.172 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.597 -15.102 -5.803 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.398 -13.825 -5.859 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.428 -15.161 -9.039 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.883 -15.022 -7.338 1.00 0.00 H new ATOM 541 N LEU A 37 4.697 -13.414 -5.371 1.00 0.00 N ATOM 542 CA LEU A 37 6.043 -13.975 -5.355 1.00 0.00 C ATOM 543 C LEU A 37 6.321 -14.686 -4.035 1.00 0.00 C ATOM 544 O LEU A 37 5.650 -14.440 -3.034 1.00 0.00 O ATOM 545 CB LEU A 37 7.079 -12.873 -5.582 1.00 0.00 C ATOM 546 CG LEU A 37 6.926 -12.062 -6.869 1.00 0.00 C ATOM 547 CD1 LEU A 37 7.466 -10.653 -6.680 1.00 0.00 C ATOM 548 CD2 LEU A 37 7.634 -12.756 -8.024 1.00 0.00 C ATOM 0 H LEU A 37 4.528 -12.704 -4.659 1.00 0.00 H new ATOM 0 HA LEU A 37 6.115 -14.705 -6.162 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.040 -12.186 -4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.070 -13.327 -5.578 1.00 0.00 H new ATOM 0 HG LEU A 37 5.865 -11.993 -7.108 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.348 -10.091 -7.607 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.915 -10.156 -5.882 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.522 -10.701 -6.416 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.515 -12.165 -8.932 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.695 -12.856 -7.793 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.200 -13.745 -8.175 1.00 0.00 H new ATOM 560 N GLU A 38 7.316 -15.568 -4.041 1.00 0.00 N ATOM 561 CA GLU A 38 7.683 -16.313 -2.843 1.00 0.00 C ATOM 562 C GLU A 38 9.115 -15.997 -2.422 1.00 0.00 C ATOM 563 O GLU A 38 10.046 -16.096 -3.222 1.00 0.00 O ATOM 564 CB GLU A 38 7.531 -17.817 -3.084 1.00 0.00 C ATOM 565 CG GLU A 38 7.822 -18.663 -1.856 1.00 0.00 C ATOM 566 CD GLU A 38 9.298 -18.972 -1.697 1.00 0.00 C ATOM 567 OE1 GLU A 38 9.919 -19.420 -2.684 1.00 0.00 O ATOM 568 OE2 GLU A 38 9.832 -18.768 -0.587 1.00 0.00 O ATOM 0 H GLU A 38 7.882 -15.784 -4.862 1.00 0.00 H new ATOM 0 HA GLU A 38 7.012 -16.011 -2.039 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.515 -18.021 -3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.202 -18.117 -3.889 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.466 -18.142 -0.967 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.264 -19.597 -1.922 1.00 0.00 H new ATOM 575 N LYS A 39 9.285 -15.615 -1.161 1.00 0.00 N ATOM 576 CA LYS A 39 10.602 -15.284 -0.632 1.00 0.00 C ATOM 577 C LYS A 39 10.757 -15.791 0.798 1.00 0.00 C ATOM 578 O LYS A 39 9.776 -15.915 1.532 1.00 0.00 O ATOM 579 CB LYS A 39 10.827 -13.771 -0.675 1.00 0.00 C ATOM 580 CG LYS A 39 12.290 -13.370 -0.593 1.00 0.00 C ATOM 581 CD LYS A 39 12.932 -13.316 -1.969 1.00 0.00 C ATOM 582 CE LYS A 39 14.058 -12.295 -2.018 1.00 0.00 C ATOM 583 NZ LYS A 39 14.682 -12.222 -3.369 1.00 0.00 N ATOM 0 H LYS A 39 8.526 -15.527 -0.486 1.00 0.00 H new ATOM 0 HA LYS A 39 11.350 -15.774 -1.256 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.402 -13.375 -1.597 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.285 -13.308 0.150 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.374 -12.395 -0.113 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.829 -14.081 0.033 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.320 -14.301 -2.229 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.178 -13.064 -2.714 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.671 -11.314 -1.743 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.817 -12.556 -1.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.445 -11.515 -3.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.074 -13.152 -3.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.963 -11.948 -4.069 1.00 0.00 H new ATOM 597 N ASP A 40 11.994 -16.080 1.188 1.00 0.00 N ATOM 598 CA ASP A 40 12.277 -16.571 2.532 1.00 0.00 C ATOM 599 C ASP A 40 11.222 -17.580 2.975 1.00 0.00 C ATOM 600 O ASP A 40 10.768 -17.558 4.119 1.00 0.00 O ATOM 601 CB ASP A 40 12.334 -15.406 3.522 1.00 0.00 C ATOM 602 CG ASP A 40 13.254 -15.686 4.693 1.00 0.00 C ATOM 603 OD1 ASP A 40 13.300 -16.849 5.148 1.00 0.00 O ATOM 604 OD2 ASP A 40 13.930 -14.743 5.155 1.00 0.00 O ATOM 0 H ASP A 40 12.817 -15.983 0.593 1.00 0.00 H new ATOM 0 HA ASP A 40 13.246 -17.070 2.514 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.673 -14.509 3.004 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.330 -15.199 3.894 1.00 0.00 H new ATOM 609 N LYS A 41 10.836 -18.465 2.062 1.00 0.00 N ATOM 610 CA LYS A 41 9.836 -19.483 2.357 1.00 0.00 C ATOM 611 C LYS A 41 8.509 -18.843 2.753 1.00 0.00 C ATOM 612 O LYS A 41 7.885 -19.241 3.737 1.00 0.00 O ATOM 613 CB LYS A 41 10.327 -20.400 3.479 1.00 0.00 C ATOM 614 CG LYS A 41 11.396 -21.385 3.036 1.00 0.00 C ATOM 615 CD LYS A 41 11.378 -22.645 3.884 1.00 0.00 C ATOM 616 CE LYS A 41 12.313 -23.706 3.325 1.00 0.00 C ATOM 617 NZ LYS A 41 13.733 -23.444 3.691 1.00 0.00 N ATOM 0 H LYS A 41 11.202 -18.497 1.110 1.00 0.00 H new ATOM 0 HA LYS A 41 9.679 -20.075 1.455 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.722 -19.788 4.290 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.479 -20.954 3.882 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.239 -21.647 1.990 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.377 -20.914 3.103 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.671 -22.402 4.905 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.363 -23.040 3.929 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.016 -24.685 3.700 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.218 -23.738 2.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.338 -24.190 3.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.025 -22.521 3.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.829 -23.439 4.727 1.00 0.00 H new ATOM 631 N LYS A 42 8.081 -17.851 1.980 1.00 0.00 N ATOM 632 CA LYS A 42 6.827 -17.158 2.247 1.00 0.00 C ATOM 633 C LYS A 42 6.267 -16.534 0.973 1.00 0.00 C ATOM 634 O LYS A 42 6.928 -15.720 0.327 1.00 0.00 O ATOM 635 CB LYS A 42 7.036 -16.075 3.308 1.00 0.00 C ATOM 636 CG LYS A 42 7.427 -16.624 4.669 1.00 0.00 C ATOM 637 CD LYS A 42 7.671 -15.509 5.672 1.00 0.00 C ATOM 638 CE LYS A 42 8.352 -16.028 6.929 1.00 0.00 C ATOM 639 NZ LYS A 42 8.601 -14.940 7.915 1.00 0.00 N ATOM 0 H LYS A 42 8.585 -17.509 1.162 1.00 0.00 H new ATOM 0 HA LYS A 42 6.109 -17.889 2.618 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.811 -15.388 2.966 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.118 -15.496 3.409 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.638 -17.280 5.038 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.327 -17.231 4.572 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.289 -14.736 5.215 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.722 -15.043 5.937 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.731 -16.798 7.387 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.298 -16.499 6.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.066 -15.335 8.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.215 -14.217 7.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.696 -14.507 8.190 1.00 0.00 H new ATOM 653 N ILE A 43 5.047 -16.921 0.617 1.00 0.00 N ATOM 654 CA ILE A 43 4.398 -16.397 -0.578 1.00 0.00 C ATOM 655 C ILE A 43 3.506 -15.207 -0.243 1.00 0.00 C ATOM 656 O ILE A 43 2.402 -15.371 0.276 1.00 0.00 O ATOM 657 CB ILE A 43 3.552 -17.477 -1.279 1.00 0.00 C ATOM 658 CG1 ILE A 43 4.373 -18.754 -1.470 1.00 0.00 C ATOM 659 CG2 ILE A 43 3.041 -16.964 -2.617 1.00 0.00 C ATOM 660 CD1 ILE A 43 3.767 -19.719 -2.464 1.00 0.00 C ATOM 0 H ILE A 43 4.488 -17.596 1.139 1.00 0.00 H new ATOM 0 HA ILE A 43 5.192 -16.074 -1.252 1.00 0.00 H new ATOM 0 HB ILE A 43 2.693 -17.710 -0.650 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.376 -18.485 -1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.479 -19.255 -0.508 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.445 -17.738 -3.100 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.425 -16.079 -2.456 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.887 -16.706 -3.255 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.402 -20.601 -2.549 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.775 -20.017 -2.123 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.686 -19.235 -3.438 1.00 0.00 H new ATOM 672 N PHE A 44 3.991 -14.007 -0.546 1.00 0.00 N ATOM 673 CA PHE A 44 3.238 -12.788 -0.277 1.00 0.00 C ATOM 674 C PHE A 44 2.271 -12.484 -1.418 1.00 0.00 C ATOM 675 O PHE A 44 2.683 -12.308 -2.564 1.00 0.00 O ATOM 676 CB PHE A 44 4.191 -11.608 -0.074 1.00 0.00 C ATOM 677 CG PHE A 44 5.299 -11.895 0.899 1.00 0.00 C ATOM 678 CD1 PHE A 44 5.028 -12.476 2.127 1.00 0.00 C ATOM 679 CD2 PHE A 44 6.612 -11.581 0.585 1.00 0.00 C ATOM 680 CE1 PHE A 44 6.046 -12.741 3.024 1.00 0.00 C ATOM 681 CE2 PHE A 44 7.634 -11.844 1.478 1.00 0.00 C ATOM 682 CZ PHE A 44 7.350 -12.424 2.700 1.00 0.00 C ATOM 0 H PHE A 44 4.902 -13.853 -0.978 1.00 0.00 H new ATOM 0 HA PHE A 44 2.661 -12.941 0.635 1.00 0.00 H new ATOM 0 HB2 PHE A 44 4.624 -11.331 -1.035 1.00 0.00 H new ATOM 0 HB3 PHE A 44 3.622 -10.748 0.279 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.010 -12.725 2.387 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.839 -11.126 -0.368 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.821 -13.196 3.978 1.00 0.00 H new ATOM 0 HE2 PHE A 44 8.653 -11.596 1.221 1.00 0.00 H new ATOM 0 HZ PHE A 44 8.147 -12.629 3.400 1.00 0.00 H new ATOM 692 N ASN A 45 0.984 -12.424 -1.095 1.00 0.00 N ATOM 693 CA ASN A 45 -0.043 -12.142 -2.092 1.00 0.00 C ATOM 694 C ASN A 45 -0.346 -10.648 -2.154 1.00 0.00 C ATOM 695 O ASN A 45 -0.227 -9.938 -1.155 1.00 0.00 O ATOM 696 CB ASN A 45 -1.320 -12.921 -1.773 1.00 0.00 C ATOM 697 CG ASN A 45 -1.343 -14.289 -2.428 1.00 0.00 C ATOM 698 OD1 ASN A 45 -2.158 -14.554 -3.311 1.00 0.00 O ATOM 699 ND2 ASN A 45 -0.444 -15.166 -1.996 1.00 0.00 N ATOM 0 H ASN A 45 0.627 -12.567 -0.150 1.00 0.00 H new ATOM 0 HA ASN A 45 0.334 -12.458 -3.065 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.411 -13.037 -0.693 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.185 -12.347 -2.106 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.411 -16.102 -2.399 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.213 -14.903 -1.261 1.00 0.00 H new ATOM 706 N HIS A 46 -0.740 -10.178 -3.333 1.00 0.00 N ATOM 707 CA HIS A 46 -1.062 -8.769 -3.525 1.00 0.00 C ATOM 708 C HIS A 46 0.136 -7.887 -3.189 1.00 0.00 C ATOM 709 O HIS A 46 -0.008 -6.840 -2.557 1.00 0.00 O ATOM 710 CB HIS A 46 -2.259 -8.375 -2.658 1.00 0.00 C ATOM 711 CG HIS A 46 -3.570 -8.869 -3.186 1.00 0.00 C ATOM 712 ND1 HIS A 46 -4.235 -8.265 -4.233 1.00 0.00 N ATOM 713 CD2 HIS A 46 -4.339 -9.916 -2.808 1.00 0.00 C ATOM 714 CE1 HIS A 46 -5.357 -8.920 -4.474 1.00 0.00 C ATOM 715 NE2 HIS A 46 -5.444 -9.926 -3.623 1.00 0.00 N ATOM 0 H HIS A 46 -0.844 -10.752 -4.170 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.318 -8.620 -4.574 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.112 -8.766 -1.651 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.296 -7.289 -2.576 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.124 -10.614 -2.013 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -6.080 -8.674 -5.237 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.208 -10.601 -3.578 1.00 0.00 H new ATOM 724 N CYS A 47 1.318 -8.316 -3.617 1.00 0.00 N ATOM 725 CA CYS A 47 2.543 -7.566 -3.360 1.00 0.00 C ATOM 726 C CYS A 47 3.164 -7.076 -4.665 1.00 0.00 C ATOM 727 O CYS A 47 3.189 -7.798 -5.662 1.00 0.00 O ATOM 728 CB CYS A 47 3.546 -8.433 -2.598 1.00 0.00 C ATOM 729 SG CYS A 47 4.264 -9.770 -3.581 1.00 0.00 S ATOM 0 H CYS A 47 1.454 -9.179 -4.143 1.00 0.00 H new ATOM 0 HA CYS A 47 2.288 -6.698 -2.751 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.350 -7.798 -2.226 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.051 -8.863 -1.727 1.00 0.00 H new ATOM 0 HG CYS A 47 3.699 -10.896 -3.261 1.00 0.00 H new ATOM 735 N PHE A 48 3.662 -5.845 -4.650 1.00 0.00 N ATOM 736 CA PHE A 48 4.281 -5.256 -5.833 1.00 0.00 C ATOM 737 C PHE A 48 5.746 -4.923 -5.571 1.00 0.00 C ATOM 738 O PHE A 48 6.149 -4.691 -4.430 1.00 0.00 O ATOM 739 CB PHE A 48 3.526 -3.994 -6.255 1.00 0.00 C ATOM 740 CG PHE A 48 3.014 -3.186 -5.096 1.00 0.00 C ATOM 741 CD1 PHE A 48 1.794 -3.485 -4.512 1.00 0.00 C ATOM 742 CD2 PHE A 48 3.753 -2.128 -4.592 1.00 0.00 C ATOM 743 CE1 PHE A 48 1.320 -2.745 -3.445 1.00 0.00 C ATOM 744 CE2 PHE A 48 3.284 -1.384 -3.526 1.00 0.00 C ATOM 745 CZ PHE A 48 2.066 -1.692 -2.953 1.00 0.00 C ATOM 0 H PHE A 48 3.650 -5.235 -3.833 1.00 0.00 H new ATOM 0 HA PHE A 48 4.232 -5.987 -6.640 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.185 -3.371 -6.859 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.686 -4.278 -6.889 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.206 -4.306 -4.895 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.706 -1.882 -5.037 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.368 -2.990 -2.997 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.870 -0.562 -3.141 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.697 -1.110 -2.121 1.00 0.00 H new ATOM 755 N THR A 49 6.542 -4.901 -6.636 1.00 0.00 N ATOM 756 CA THR A 49 7.963 -4.598 -6.523 1.00 0.00 C ATOM 757 C THR A 49 8.193 -3.102 -6.338 1.00 0.00 C ATOM 758 O THR A 49 7.290 -2.294 -6.552 1.00 0.00 O ATOM 759 CB THR A 49 8.740 -5.076 -7.764 1.00 0.00 C ATOM 760 OG1 THR A 49 8.055 -4.673 -8.956 1.00 0.00 O ATOM 761 CG2 THR A 49 8.900 -6.588 -7.753 1.00 0.00 C ATOM 0 H THR A 49 6.226 -5.090 -7.587 1.00 0.00 H new ATOM 0 HA THR A 49 8.331 -5.131 -5.646 1.00 0.00 H new ATOM 0 HB THR A 49 9.730 -4.621 -7.742 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.951 -3.699 -8.960 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.452 -6.902 -8.639 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.447 -6.890 -6.859 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.917 -7.058 -7.753 1.00 0.00 H new ATOM 769 N GLY A 50 9.409 -2.740 -5.940 1.00 0.00 N ATOM 770 CA GLY A 50 9.735 -1.341 -5.733 1.00 0.00 C ATOM 771 C GLY A 50 9.694 -0.540 -7.020 1.00 0.00 C ATOM 772 O GLY A 50 8.856 0.346 -7.180 1.00 0.00 O ATOM 0 H GLY A 50 10.174 -3.390 -5.757 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.035 -0.910 -5.018 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.729 -1.264 -5.292 1.00 0.00 H new ATOM 776 N ASN A 51 10.603 -0.851 -7.938 1.00 0.00 N ATOM 777 CA ASN A 51 10.668 -0.152 -9.216 1.00 0.00 C ATOM 778 C ASN A 51 9.269 0.191 -9.721 1.00 0.00 C ATOM 779 O ASN A 51 8.976 1.347 -10.028 1.00 0.00 O ATOM 780 CB ASN A 51 11.400 -1.007 -10.253 1.00 0.00 C ATOM 781 CG ASN A 51 10.944 -0.715 -11.669 1.00 0.00 C ATOM 782 OD1 ASN A 51 9.997 -1.324 -12.166 1.00 0.00 O ATOM 783 ND2 ASN A 51 11.620 0.220 -12.327 1.00 0.00 N ATOM 0 H ASN A 51 11.304 -1.582 -7.821 1.00 0.00 H new ATOM 0 HA ASN A 51 11.219 0.776 -9.065 1.00 0.00 H new ATOM 0 HB2 ASN A 51 12.472 -0.828 -10.175 1.00 0.00 H new ATOM 0 HB3 ASN A 51 11.236 -2.062 -10.032 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.360 0.459 -13.284 1.00 0.00 H new ATOM 0 HD22 ASN A 51 12.399 0.699 -11.875 1.00 0.00 H new ATOM 790 N CYS A 52 8.411 -0.819 -9.802 1.00 0.00 N ATOM 791 CA CYS A 52 7.043 -0.625 -10.268 1.00 0.00 C ATOM 792 C CYS A 52 6.428 0.624 -9.645 1.00 0.00 C ATOM 793 O CYS A 52 5.860 1.464 -10.343 1.00 0.00 O ATOM 794 CB CYS A 52 6.190 -1.850 -9.935 1.00 0.00 C ATOM 795 SG CYS A 52 6.410 -3.235 -11.075 1.00 0.00 S ATOM 0 H CYS A 52 8.638 -1.781 -9.551 1.00 0.00 H new ATOM 0 HA CYS A 52 7.069 -0.493 -11.350 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.430 -2.183 -8.925 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.140 -1.558 -9.933 1.00 0.00 H new ATOM 0 HG CYS A 52 7.019 -4.208 -10.464 1.00 0.00 H new ATOM 801 N VAL A 53 6.543 0.738 -8.326 1.00 0.00 N ATOM 802 CA VAL A 53 5.998 1.884 -7.607 1.00 0.00 C ATOM 803 C VAL A 53 6.574 3.191 -8.140 1.00 0.00 C ATOM 804 O VAL A 53 5.833 4.087 -8.547 1.00 0.00 O ATOM 805 CB VAL A 53 6.285 1.787 -6.097 1.00 0.00 C ATOM 806 CG1 VAL A 53 5.769 3.023 -5.375 1.00 0.00 C ATOM 807 CG2 VAL A 53 5.666 0.524 -5.517 1.00 0.00 C ATOM 0 H VAL A 53 7.009 0.051 -7.733 1.00 0.00 H new ATOM 0 HA VAL A 53 4.920 1.874 -7.766 1.00 0.00 H new ATOM 0 HB VAL A 53 7.364 1.735 -5.953 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.981 2.937 -4.309 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.263 3.909 -5.772 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.693 3.109 -5.525 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.879 0.472 -4.449 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.587 0.543 -5.672 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.088 -0.349 -6.014 1.00 0.00 H new ATOM 817 N ILE A 54 7.899 3.294 -8.135 1.00 0.00 N ATOM 818 CA ILE A 54 8.574 4.491 -8.619 1.00 0.00 C ATOM 819 C ILE A 54 8.068 4.885 -10.003 1.00 0.00 C ATOM 820 O ILE A 54 7.612 6.010 -10.211 1.00 0.00 O ATOM 821 CB ILE A 54 10.100 4.291 -8.680 1.00 0.00 C ATOM 822 CG1 ILE A 54 10.635 3.864 -7.312 1.00 0.00 C ATOM 823 CG2 ILE A 54 10.783 5.568 -9.147 1.00 0.00 C ATOM 824 CD1 ILE A 54 10.537 4.946 -6.260 1.00 0.00 C ATOM 0 H ILE A 54 8.526 2.562 -7.801 1.00 0.00 H new ATOM 0 HA ILE A 54 8.349 5.289 -7.911 1.00 0.00 H new ATOM 0 HB ILE A 54 10.320 3.501 -9.398 1.00 0.00 H new ATOM 0 HG12 ILE A 54 10.083 2.988 -6.973 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.678 3.563 -7.416 1.00 0.00 H new ATOM 0 HG21 ILE A 54 11.861 5.411 -9.185 1.00 0.00 H new ATOM 0 HG22 ILE A 54 10.420 5.833 -10.140 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.558 6.376 -8.451 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.934 4.573 -5.316 1.00 0.00 H new ATOM 0 HD12 ILE A 54 11.112 5.816 -6.578 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.493 5.231 -6.127 1.00 0.00 H new ATOM 836 N ASP A 55 8.152 3.952 -10.945 1.00 0.00 N ATOM 837 CA ASP A 55 7.700 4.201 -12.309 1.00 0.00 C ATOM 838 C ASP A 55 6.237 4.632 -12.327 1.00 0.00 C ATOM 839 O ASP A 55 5.889 5.658 -12.911 1.00 0.00 O ATOM 840 CB ASP A 55 7.886 2.948 -13.167 1.00 0.00 C ATOM 841 CG ASP A 55 7.738 3.234 -14.648 1.00 0.00 C ATOM 842 OD1 ASP A 55 8.483 4.093 -15.165 1.00 0.00 O ATOM 843 OD2 ASP A 55 6.877 2.598 -15.291 1.00 0.00 O ATOM 0 H ASP A 55 8.529 3.017 -10.789 1.00 0.00 H new ATOM 0 HA ASP A 55 8.303 5.009 -12.723 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.873 2.525 -12.978 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.155 2.196 -12.870 1.00 0.00 H new ATOM 848 N TRP A 56 5.385 3.841 -11.685 1.00 0.00 N ATOM 849 CA TRP A 56 3.958 4.140 -11.629 1.00 0.00 C ATOM 850 C TRP A 56 3.723 5.633 -11.426 1.00 0.00 C ATOM 851 O TRP A 56 2.769 6.199 -11.961 1.00 0.00 O ATOM 852 CB TRP A 56 3.295 3.349 -10.501 1.00 0.00 C ATOM 853 CG TRP A 56 1.815 3.569 -10.412 1.00 0.00 C ATOM 854 CD1 TRP A 56 0.833 2.714 -10.823 1.00 0.00 C ATOM 855 CD2 TRP A 56 1.150 4.720 -9.880 1.00 0.00 C ATOM 856 NE1 TRP A 56 -0.403 3.264 -10.579 1.00 0.00 N ATOM 857 CE2 TRP A 56 -0.235 4.494 -10.000 1.00 0.00 C ATOM 858 CE3 TRP A 56 1.590 5.919 -9.312 1.00 0.00 C ATOM 859 CZ2 TRP A 56 -1.181 5.423 -9.574 1.00 0.00 C ATOM 860 CZ3 TRP A 56 0.650 6.840 -8.890 1.00 0.00 C ATOM 861 CH2 TRP A 56 -0.722 6.588 -9.021 1.00 0.00 C ATOM 0 H TRP A 56 5.657 2.988 -11.196 1.00 0.00 H new ATOM 0 HA TRP A 56 3.512 3.847 -12.580 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.489 2.287 -10.649 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.754 3.628 -9.553 1.00 0.00 H new ATOM 0 HD1 TRP A 56 1.002 1.747 -11.274 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -1.299 2.827 -10.794 1.00 0.00 H new ATOM 0 HE3 TRP A 56 2.645 6.122 -9.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.239 5.231 -9.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 0.979 7.771 -8.451 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.431 7.327 -8.679 1.00 0.00 H new ATOM 872 N LEU A 57 4.598 6.265 -10.652 1.00 0.00 N ATOM 873 CA LEU A 57 4.485 7.694 -10.379 1.00 0.00 C ATOM 874 C LEU A 57 4.894 8.515 -11.597 1.00 0.00 C ATOM 875 O LEU A 57 4.248 9.506 -11.937 1.00 0.00 O ATOM 876 CB LEU A 57 5.353 8.074 -9.178 1.00 0.00 C ATOM 877 CG LEU A 57 5.014 7.380 -7.858 1.00 0.00 C ATOM 878 CD1 LEU A 57 6.250 7.271 -6.980 1.00 0.00 C ATOM 879 CD2 LEU A 57 3.906 8.129 -7.132 1.00 0.00 C ATOM 0 H LEU A 57 5.393 5.811 -10.202 1.00 0.00 H new ATOM 0 HA LEU A 57 3.442 7.914 -10.150 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.393 7.856 -9.423 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.279 9.151 -9.028 1.00 0.00 H new ATOM 0 HG LEU A 57 4.661 6.373 -8.079 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.990 6.775 -6.045 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.014 6.692 -7.498 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.634 8.269 -6.766 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.677 7.622 -6.195 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.232 9.148 -6.923 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.014 8.155 -7.758 1.00 0.00 H new ATOM 891 N VAL A 58 5.972 8.095 -12.253 1.00 0.00 N ATOM 892 CA VAL A 58 6.466 8.789 -13.436 1.00 0.00 C ATOM 893 C VAL A 58 5.469 8.694 -14.585 1.00 0.00 C ATOM 894 O VAL A 58 5.189 9.684 -15.261 1.00 0.00 O ATOM 895 CB VAL A 58 7.820 8.218 -13.897 1.00 0.00 C ATOM 896 CG1 VAL A 58 8.359 9.009 -15.079 1.00 0.00 C ATOM 897 CG2 VAL A 58 8.817 8.217 -12.747 1.00 0.00 C ATOM 0 H VAL A 58 6.520 7.277 -11.985 1.00 0.00 H new ATOM 0 HA VAL A 58 6.597 9.835 -13.158 1.00 0.00 H new ATOM 0 HB VAL A 58 7.669 7.187 -14.219 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.316 8.591 -15.391 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.652 8.953 -15.907 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.496 10.050 -14.788 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.768 7.810 -13.090 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.965 9.237 -12.393 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.433 7.603 -11.933 1.00 0.00 H new ATOM 907 N SER A 59 4.936 7.496 -14.801 1.00 0.00 N ATOM 908 CA SER A 59 3.972 7.270 -15.872 1.00 0.00 C ATOM 909 C SER A 59 2.707 8.092 -15.646 1.00 0.00 C ATOM 910 O SER A 59 2.106 8.600 -16.592 1.00 0.00 O ATOM 911 CB SER A 59 3.618 5.784 -15.963 1.00 0.00 C ATOM 912 OG SER A 59 2.822 5.519 -17.105 1.00 0.00 O ATOM 0 H SER A 59 5.155 6.667 -14.249 1.00 0.00 H new ATOM 0 HA SER A 59 4.428 7.586 -16.810 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.532 5.191 -16.007 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.083 5.479 -15.064 1.00 0.00 H new ATOM 0 HG SER A 59 2.610 4.563 -17.142 1.00 0.00 H new ATOM 918 N ASN A 60 2.308 8.219 -14.384 1.00 0.00 N ATOM 919 CA ASN A 60 1.114 8.979 -14.033 1.00 0.00 C ATOM 920 C ASN A 60 1.393 10.478 -14.071 1.00 0.00 C ATOM 921 O ASN A 60 0.552 11.285 -13.676 1.00 0.00 O ATOM 922 CB ASN A 60 0.619 8.576 -12.642 1.00 0.00 C ATOM 923 CG ASN A 60 -0.287 7.361 -12.681 1.00 0.00 C ATOM 924 OD1 ASN A 60 -1.454 7.430 -12.294 1.00 0.00 O ATOM 925 ND2 ASN A 60 0.247 6.239 -13.148 1.00 0.00 N ATOM 0 H ASN A 60 2.794 7.806 -13.588 1.00 0.00 H new ATOM 0 HA ASN A 60 0.340 8.753 -14.767 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.475 8.367 -12.001 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.082 9.412 -12.194 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.314 5.389 -13.197 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.219 6.227 -13.458 1.00 0.00 H new ATOM 932 N GLN A 61 2.579 10.842 -14.548 1.00 0.00 N ATOM 933 CA GLN A 61 2.968 12.245 -14.638 1.00 0.00 C ATOM 934 C GLN A 61 3.033 12.881 -13.253 1.00 0.00 C ATOM 935 O GLN A 61 2.810 14.081 -13.100 1.00 0.00 O ATOM 936 CB GLN A 61 1.982 13.014 -15.520 1.00 0.00 C ATOM 937 CG GLN A 61 1.772 12.386 -16.888 1.00 0.00 C ATOM 938 CD GLN A 61 0.486 12.842 -17.548 1.00 0.00 C ATOM 939 OE1 GLN A 61 0.462 13.847 -18.259 1.00 0.00 O ATOM 940 NE2 GLN A 61 -0.593 12.104 -17.315 1.00 0.00 N ATOM 0 H GLN A 61 3.287 10.186 -14.878 1.00 0.00 H new ATOM 0 HA GLN A 61 3.960 12.293 -15.087 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.022 13.078 -15.007 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.343 14.034 -15.649 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.615 12.637 -17.532 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.759 11.301 -16.787 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.527 11.279 -16.719 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.487 12.362 -17.732 1.00 0.00 H new ATOM 949 N SER A 62 3.341 12.068 -12.248 1.00 0.00 N ATOM 950 CA SER A 62 3.432 12.550 -10.875 1.00 0.00 C ATOM 951 C SER A 62 4.834 13.072 -10.574 1.00 0.00 C ATOM 952 O SER A 62 5.006 14.008 -9.793 1.00 0.00 O ATOM 953 CB SER A 62 3.071 11.433 -9.894 1.00 0.00 C ATOM 954 OG SER A 62 1.804 10.876 -10.200 1.00 0.00 O ATOM 0 H SER A 62 3.532 11.072 -12.359 1.00 0.00 H new ATOM 0 HA SER A 62 2.724 13.370 -10.757 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.832 10.654 -9.929 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.063 11.826 -8.877 1.00 0.00 H new ATOM 0 HG SER A 62 1.597 10.163 -9.560 1.00 0.00 H new ATOM 960 N VAL A 63 5.833 12.461 -11.202 1.00 0.00 N ATOM 961 CA VAL A 63 7.221 12.863 -11.003 1.00 0.00 C ATOM 962 C VAL A 63 7.920 13.099 -12.337 1.00 0.00 C ATOM 963 O VAL A 63 7.400 12.743 -13.394 1.00 0.00 O ATOM 964 CB VAL A 63 8.004 11.804 -10.206 1.00 0.00 C ATOM 965 CG1 VAL A 63 7.629 11.860 -8.732 1.00 0.00 C ATOM 966 CG2 VAL A 63 7.754 10.416 -10.776 1.00 0.00 C ATOM 0 H VAL A 63 5.708 11.686 -11.853 1.00 0.00 H new ATOM 0 HA VAL A 63 7.203 13.793 -10.435 1.00 0.00 H new ATOM 0 HB VAL A 63 9.068 12.021 -10.294 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.192 11.104 -8.184 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.864 12.847 -8.334 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.562 11.669 -8.621 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.315 9.680 -10.201 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.690 10.186 -10.720 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.077 10.386 -11.817 1.00 0.00 H new ATOM 976 N ARG A 64 9.104 13.701 -12.280 1.00 0.00 N ATOM 977 CA ARG A 64 9.875 13.986 -13.484 1.00 0.00 C ATOM 978 C ARG A 64 10.738 12.789 -13.872 1.00 0.00 C ATOM 979 O ARG A 64 10.984 12.545 -15.052 1.00 0.00 O ATOM 980 CB ARG A 64 10.758 15.217 -13.270 1.00 0.00 C ATOM 981 CG ARG A 64 10.014 16.407 -12.688 1.00 0.00 C ATOM 982 CD ARG A 64 10.913 17.628 -12.579 1.00 0.00 C ATOM 983 NE ARG A 64 11.957 17.451 -11.573 1.00 0.00 N ATOM 984 CZ ARG A 64 12.944 18.318 -11.378 1.00 0.00 C ATOM 985 NH1 ARG A 64 13.022 19.417 -12.116 1.00 0.00 N ATOM 986 NH2 ARG A 64 13.856 18.087 -10.442 1.00 0.00 N ATOM 0 H ARG A 64 9.550 14.001 -11.413 1.00 0.00 H new ATOM 0 HA ARG A 64 9.175 14.186 -14.295 1.00 0.00 H new ATOM 0 HB2 ARG A 64 11.580 14.953 -12.605 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.200 15.507 -14.223 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.154 16.642 -13.315 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.628 16.149 -11.702 1.00 0.00 H new ATOM 0 HD2 ARG A 64 11.373 17.827 -13.547 1.00 0.00 H new ATOM 0 HD3 ARG A 64 10.310 18.500 -12.326 1.00 0.00 H new ATOM 0 HE ARG A 64 11.926 16.616 -10.988 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.323 19.599 -12.836 1.00 0.00 H new ATOM 0 HH12 ARG A 64 13.781 20.081 -11.964 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.799 17.243 -9.872 1.00 0.00 H new ATOM 0 HH22 ARG A 64 14.614 18.753 -10.293 1.00 0.00 H new ATOM 1000 N ASN A 65 11.196 12.046 -12.869 1.00 0.00 N ATOM 1001 CA ASN A 65 12.032 10.875 -13.106 1.00 0.00 C ATOM 1002 C ASN A 65 11.986 9.924 -11.913 1.00 0.00 C ATOM 1003 O ASN A 65 11.332 10.203 -10.909 1.00 0.00 O ATOM 1004 CB ASN A 65 13.476 11.300 -13.377 1.00 0.00 C ATOM 1005 CG ASN A 65 13.850 12.577 -12.649 1.00 0.00 C ATOM 1006 OD1 ASN A 65 13.617 13.679 -13.146 1.00 0.00 O ATOM 1007 ND2 ASN A 65 14.432 12.434 -11.465 1.00 0.00 N ATOM 0 H ASN A 65 11.002 12.234 -11.885 1.00 0.00 H new ATOM 0 HA ASN A 65 11.644 10.353 -13.980 1.00 0.00 H new ATOM 0 HB2 ASN A 65 14.151 10.500 -13.072 1.00 0.00 H new ATOM 0 HB3 ASN A 65 13.615 11.442 -14.449 1.00 0.00 H new ATOM 0 HD21 ASN A 65 14.705 13.257 -10.928 1.00 0.00 H new ATOM 0 HD22 ASN A 65 14.606 11.501 -11.092 1.00 0.00 H new ATOM 1014 N ARG A 66 12.686 8.800 -12.032 1.00 0.00 N ATOM 1015 CA ARG A 66 12.725 7.807 -10.965 1.00 0.00 C ATOM 1016 C ARG A 66 13.123 8.450 -9.640 1.00 0.00 C ATOM 1017 O ARG A 66 12.364 8.420 -8.672 1.00 0.00 O ATOM 1018 CB ARG A 66 13.705 6.687 -11.317 1.00 0.00 C ATOM 1019 CG ARG A 66 13.084 5.570 -12.139 1.00 0.00 C ATOM 1020 CD ARG A 66 13.106 5.893 -13.625 1.00 0.00 C ATOM 1021 NE ARG A 66 12.412 4.880 -14.416 1.00 0.00 N ATOM 1022 CZ ARG A 66 12.411 4.858 -15.744 1.00 0.00 C ATOM 1023 NH1 ARG A 66 13.064 5.789 -16.426 1.00 0.00 N ATOM 1024 NH2 ARG A 66 11.756 3.904 -16.392 1.00 0.00 N ATOM 0 H ARG A 66 13.234 8.555 -12.857 1.00 0.00 H new ATOM 0 HA ARG A 66 11.726 7.384 -10.858 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.544 7.110 -11.870 1.00 0.00 H new ATOM 0 HB3 ARG A 66 14.110 6.267 -10.396 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.625 4.641 -11.960 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.056 5.408 -11.816 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.641 6.864 -13.792 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.139 5.972 -13.963 1.00 0.00 H new ATOM 0 HE ARG A 66 11.900 4.149 -13.921 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.569 6.524 -15.931 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.062 5.770 -17.446 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.252 3.186 -15.870 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.756 3.888 -17.412 1.00 0.00 H new ATOM 1038 N GLN A 67 14.319 9.029 -9.605 1.00 0.00 N ATOM 1039 CA GLN A 67 14.818 9.676 -8.398 1.00 0.00 C ATOM 1040 C GLN A 67 13.730 10.520 -7.742 1.00 0.00 C ATOM 1041 O GLN A 67 13.544 10.474 -6.527 1.00 0.00 O ATOM 1042 CB GLN A 67 16.029 10.551 -8.727 1.00 0.00 C ATOM 1043 CG GLN A 67 17.349 9.798 -8.700 1.00 0.00 C ATOM 1044 CD GLN A 67 17.988 9.787 -7.325 1.00 0.00 C ATOM 1045 OE1 GLN A 67 17.881 10.754 -6.571 1.00 0.00 O ATOM 1046 NE2 GLN A 67 18.657 8.690 -6.991 1.00 0.00 N ATOM 0 H GLN A 67 14.960 9.063 -10.398 1.00 0.00 H new ATOM 0 HA GLN A 67 15.120 8.897 -7.697 1.00 0.00 H new ATOM 0 HB2 GLN A 67 15.891 10.991 -9.715 1.00 0.00 H new ATOM 0 HB3 GLN A 67 16.076 11.375 -8.015 1.00 0.00 H new ATOM 0 HG2 GLN A 67 17.184 8.772 -9.028 1.00 0.00 H new ATOM 0 HG3 GLN A 67 18.037 10.253 -9.412 1.00 0.00 H new ATOM 0 HE21 GLN A 67 18.720 7.912 -7.647 1.00 0.00 H new ATOM 0 HE22 GLN A 67 19.108 8.625 -6.078 1.00 0.00 H new ATOM 1055 N GLU A 68 13.014 11.289 -8.556 1.00 0.00 N ATOM 1056 CA GLU A 68 11.944 12.144 -8.054 1.00 0.00 C ATOM 1057 C GLU A 68 10.901 11.324 -7.301 1.00 0.00 C ATOM 1058 O GLU A 68 10.403 11.742 -6.256 1.00 0.00 O ATOM 1059 CB GLU A 68 11.280 12.899 -9.207 1.00 0.00 C ATOM 1060 CG GLU A 68 12.018 14.165 -9.611 1.00 0.00 C ATOM 1061 CD GLU A 68 11.889 15.269 -8.580 1.00 0.00 C ATOM 1062 OE1 GLU A 68 10.815 15.903 -8.522 1.00 0.00 O ATOM 1063 OE2 GLU A 68 12.862 15.498 -7.831 1.00 0.00 O ATOM 0 H GLU A 68 13.155 11.338 -9.565 1.00 0.00 H new ATOM 0 HA GLU A 68 12.383 12.864 -7.364 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.210 12.238 -10.071 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.261 13.158 -8.921 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.073 13.934 -9.761 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.630 14.518 -10.567 1.00 0.00 H new ATOM 1070 N GLY A 69 10.574 10.154 -7.840 1.00 0.00 N ATOM 1071 CA GLY A 69 9.592 9.293 -7.207 1.00 0.00 C ATOM 1072 C GLY A 69 10.110 8.662 -5.931 1.00 0.00 C ATOM 1073 O GLY A 69 9.344 8.083 -5.159 1.00 0.00 O ATOM 0 H GLY A 69 10.972 9.787 -8.704 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.696 9.872 -6.984 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.299 8.508 -7.904 1.00 0.00 H new ATOM 1077 N LEU A 70 11.415 8.771 -5.707 1.00 0.00 N ATOM 1078 CA LEU A 70 12.037 8.205 -4.515 1.00 0.00 C ATOM 1079 C LEU A 70 11.463 8.834 -3.250 1.00 0.00 C ATOM 1080 O LEU A 70 11.220 8.147 -2.258 1.00 0.00 O ATOM 1081 CB LEU A 70 13.552 8.411 -4.559 1.00 0.00 C ATOM 1082 CG LEU A 70 14.396 7.336 -3.873 1.00 0.00 C ATOM 1083 CD1 LEU A 70 13.675 6.790 -2.651 1.00 0.00 C ATOM 1084 CD2 LEU A 70 14.724 6.214 -4.847 1.00 0.00 C ATOM 0 H LEU A 70 12.063 9.246 -6.335 1.00 0.00 H new ATOM 0 HA LEU A 70 11.823 7.136 -4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.860 8.475 -5.603 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.781 9.373 -4.100 1.00 0.00 H new ATOM 0 HG LEU A 70 15.331 7.790 -3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.291 6.026 -2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.492 7.600 -1.945 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.724 6.352 -2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.325 5.458 -4.342 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.799 5.762 -5.206 1.00 0.00 H new ATOM 0 HD23 LEU A 70 15.283 6.617 -5.692 1.00 0.00 H new ATOM 1096 N MET A 71 11.246 10.145 -3.293 1.00 0.00 N ATOM 1097 CA MET A 71 10.697 10.866 -2.151 1.00 0.00 C ATOM 1098 C MET A 71 9.236 10.490 -1.922 1.00 0.00 C ATOM 1099 O MET A 71 8.858 10.075 -0.826 1.00 0.00 O ATOM 1100 CB MET A 71 10.820 12.376 -2.367 1.00 0.00 C ATOM 1101 CG MET A 71 12.139 12.795 -2.995 1.00 0.00 C ATOM 1102 SD MET A 71 13.568 12.177 -2.086 1.00 0.00 S ATOM 1103 CE MET A 71 14.786 12.078 -3.396 1.00 0.00 C ATOM 0 H MET A 71 11.442 10.729 -4.106 1.00 0.00 H new ATOM 0 HA MET A 71 11.269 10.585 -1.266 1.00 0.00 H new ATOM 0 HB2 MET A 71 10.001 12.711 -3.004 1.00 0.00 H new ATOM 0 HB3 MET A 71 10.706 12.882 -1.408 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.180 12.430 -4.021 1.00 0.00 H new ATOM 0 HG3 MET A 71 12.186 13.883 -3.041 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.629 11.472 -3.064 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.336 11.621 -4.278 1.00 0.00 H new ATOM 0 HE3 MET A 71 15.135 13.080 -3.645 1.00 0.00 H new ATOM 1113 N ILE A 72 8.422 10.639 -2.961 1.00 0.00 N ATOM 1114 CA ILE A 72 7.004 10.315 -2.872 1.00 0.00 C ATOM 1115 C ILE A 72 6.797 8.866 -2.442 1.00 0.00 C ATOM 1116 O ILE A 72 5.939 8.570 -1.612 1.00 0.00 O ATOM 1117 CB ILE A 72 6.288 10.547 -4.215 1.00 0.00 C ATOM 1118 CG1 ILE A 72 6.536 11.974 -4.710 1.00 0.00 C ATOM 1119 CG2 ILE A 72 4.796 10.282 -4.073 1.00 0.00 C ATOM 1120 CD1 ILE A 72 6.094 13.038 -3.731 1.00 0.00 C ATOM 0 H ILE A 72 8.720 10.982 -3.874 1.00 0.00 H new ATOM 0 HA ILE A 72 6.575 10.979 -2.122 1.00 0.00 H new ATOM 0 HB ILE A 72 6.692 9.851 -4.950 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.599 12.099 -4.915 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.010 12.119 -5.654 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.304 10.450 -5.031 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.638 9.250 -3.760 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.376 10.956 -3.326 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.300 14.024 -4.148 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.025 12.939 -3.544 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.638 12.919 -2.794 1.00 0.00 H new ATOM 1132 N ALA A 73 7.592 7.967 -3.013 1.00 0.00 N ATOM 1133 CA ALA A 73 7.499 6.549 -2.687 1.00 0.00 C ATOM 1134 C ALA A 73 7.970 6.282 -1.261 1.00 0.00 C ATOM 1135 O ALA A 73 7.383 5.470 -0.546 1.00 0.00 O ATOM 1136 CB ALA A 73 8.312 5.726 -3.676 1.00 0.00 C ATOM 0 H ALA A 73 8.307 8.195 -3.703 1.00 0.00 H new ATOM 0 HA ALA A 73 6.452 6.253 -2.758 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.234 4.669 -3.421 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.928 5.885 -4.684 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.357 6.033 -3.633 1.00 0.00 H new ATOM 1142 N SER A 74 9.032 6.970 -0.855 1.00 0.00 N ATOM 1143 CA SER A 74 9.584 6.803 0.485 1.00 0.00 C ATOM 1144 C SER A 74 8.603 7.301 1.542 1.00 0.00 C ATOM 1145 O SER A 74 8.367 6.633 2.549 1.00 0.00 O ATOM 1146 CB SER A 74 10.910 7.555 0.610 1.00 0.00 C ATOM 1147 OG SER A 74 10.771 8.906 0.204 1.00 0.00 O ATOM 0 H SER A 74 9.527 7.648 -1.434 1.00 0.00 H new ATOM 0 HA SER A 74 9.760 5.740 0.649 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.258 7.516 1.642 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.669 7.065 -0.000 1.00 0.00 H new ATOM 0 HG SER A 74 9.871 9.048 -0.157 1.00 0.00 H new ATOM 1153 N SER A 75 8.034 8.479 1.305 1.00 0.00 N ATOM 1154 CA SER A 75 7.081 9.069 2.238 1.00 0.00 C ATOM 1155 C SER A 75 5.892 8.139 2.461 1.00 0.00 C ATOM 1156 O SER A 75 5.408 7.989 3.584 1.00 0.00 O ATOM 1157 CB SER A 75 6.595 10.422 1.716 1.00 0.00 C ATOM 1158 OG SER A 75 6.588 10.449 0.299 1.00 0.00 O ATOM 0 H SER A 75 8.216 9.043 0.475 1.00 0.00 H new ATOM 0 HA SER A 75 7.588 9.217 3.192 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.591 10.621 2.092 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.240 11.215 2.095 1.00 0.00 H new ATOM 0 HG SER A 75 7.486 10.666 -0.028 1.00 0.00 H new ATOM 1164 N LEU A 76 5.426 7.518 1.384 1.00 0.00 N ATOM 1165 CA LEU A 76 4.293 6.602 1.459 1.00 0.00 C ATOM 1166 C LEU A 76 4.547 5.505 2.488 1.00 0.00 C ATOM 1167 O LEU A 76 3.617 5.012 3.129 1.00 0.00 O ATOM 1168 CB LEU A 76 4.023 5.979 0.088 1.00 0.00 C ATOM 1169 CG LEU A 76 3.255 6.851 -0.906 1.00 0.00 C ATOM 1170 CD1 LEU A 76 3.468 6.354 -2.327 1.00 0.00 C ATOM 1171 CD2 LEU A 76 1.772 6.872 -0.562 1.00 0.00 C ATOM 0 H LEU A 76 5.815 7.632 0.448 1.00 0.00 H new ATOM 0 HA LEU A 76 3.417 7.171 1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.979 5.708 -0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.466 5.054 0.235 1.00 0.00 H new ATOM 0 HG LEU A 76 3.637 7.869 -0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.914 6.987 -3.021 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.530 6.392 -2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.113 5.327 -2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.241 7.497 -1.280 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.375 5.858 -0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.637 7.276 0.441 1.00 0.00 H new ATOM 1183 N LEU A 77 5.811 5.127 2.642 1.00 0.00 N ATOM 1184 CA LEU A 77 6.189 4.090 3.595 1.00 0.00 C ATOM 1185 C LEU A 77 6.344 4.669 4.998 1.00 0.00 C ATOM 1186 O LEU A 77 6.231 3.952 5.992 1.00 0.00 O ATOM 1187 CB LEU A 77 7.494 3.421 3.161 1.00 0.00 C ATOM 1188 CG LEU A 77 7.355 2.247 2.190 1.00 0.00 C ATOM 1189 CD1 LEU A 77 8.712 1.865 1.618 1.00 0.00 C ATOM 1190 CD2 LEU A 77 6.712 1.055 2.883 1.00 0.00 C ATOM 0 H LEU A 77 6.592 5.523 2.119 1.00 0.00 H new ATOM 0 HA LEU A 77 5.395 3.344 3.615 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.130 4.176 2.699 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.013 3.070 4.053 1.00 0.00 H new ATOM 0 HG LEU A 77 6.710 2.555 1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.594 1.028 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.135 2.717 1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.380 1.576 2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.621 0.229 2.177 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.331 0.746 3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.722 1.334 3.244 1.00 0.00 H new ATOM 1202 N ASN A 78 6.601 5.971 5.070 1.00 0.00 N ATOM 1203 CA ASN A 78 6.769 6.647 6.351 1.00 0.00 C ATOM 1204 C ASN A 78 5.417 6.953 6.987 1.00 0.00 C ATOM 1205 O ASN A 78 5.276 6.931 8.209 1.00 0.00 O ATOM 1206 CB ASN A 78 7.564 7.942 6.168 1.00 0.00 C ATOM 1207 CG ASN A 78 9.061 7.720 6.264 1.00 0.00 C ATOM 1208 OD1 ASN A 78 9.520 6.791 6.927 1.00 0.00 O ATOM 1209 ND2 ASN A 78 9.829 8.575 5.600 1.00 0.00 N ATOM 0 H ASN A 78 6.697 6.579 4.256 1.00 0.00 H new ATOM 0 HA ASN A 78 7.320 5.981 7.015 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.326 8.377 5.198 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.257 8.664 6.925 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.844 8.476 5.627 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.404 9.331 5.063 1.00 0.00 H new ATOM 1216 N GLU A 79 4.425 7.237 6.148 1.00 0.00 N ATOM 1217 CA GLU A 79 3.084 7.547 6.629 1.00 0.00 C ATOM 1218 C GLU A 79 2.293 6.270 6.896 1.00 0.00 C ATOM 1219 O GLU A 79 1.489 6.208 7.825 1.00 0.00 O ATOM 1220 CB GLU A 79 2.342 8.417 5.612 1.00 0.00 C ATOM 1221 CG GLU A 79 2.966 9.787 5.412 1.00 0.00 C ATOM 1222 CD GLU A 79 2.612 10.757 6.523 1.00 0.00 C ATOM 1223 OE1 GLU A 79 1.484 10.666 7.051 1.00 0.00 O ATOM 1224 OE2 GLU A 79 3.462 11.606 6.863 1.00 0.00 O ATOM 0 H GLU A 79 4.525 7.259 5.133 1.00 0.00 H new ATOM 0 HA GLU A 79 3.179 8.097 7.565 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.313 7.897 4.654 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.309 8.542 5.938 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.050 9.684 5.356 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.635 10.197 4.458 1.00 0.00 H new ATOM 1231 N GLY A 80 2.527 5.252 6.073 1.00 0.00 N ATOM 1232 CA GLY A 80 1.828 3.991 6.236 1.00 0.00 C ATOM 1233 C GLY A 80 1.114 3.556 4.971 1.00 0.00 C ATOM 1234 O GLY A 80 0.579 2.449 4.902 1.00 0.00 O ATOM 0 H GLY A 80 3.188 5.278 5.297 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.540 3.220 6.531 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.104 4.083 7.045 1.00 0.00 H new ATOM 1238 N TYR A 81 1.103 4.429 3.970 1.00 0.00 N ATOM 1239 CA TYR A 81 0.445 4.131 2.704 1.00 0.00 C ATOM 1240 C TYR A 81 1.023 2.868 2.073 1.00 0.00 C ATOM 1241 O TYR A 81 0.326 2.136 1.369 1.00 0.00 O ATOM 1242 CB TYR A 81 0.592 5.309 1.739 1.00 0.00 C ATOM 1243 CG TYR A 81 -0.159 6.547 2.175 1.00 0.00 C ATOM 1244 CD1 TYR A 81 -1.543 6.538 2.292 1.00 0.00 C ATOM 1245 CD2 TYR A 81 0.516 7.725 2.470 1.00 0.00 C ATOM 1246 CE1 TYR A 81 -2.234 7.666 2.690 1.00 0.00 C ATOM 1247 CE2 TYR A 81 -0.166 8.858 2.870 1.00 0.00 C ATOM 1248 CZ TYR A 81 -1.541 8.824 2.978 1.00 0.00 C ATOM 1249 OH TYR A 81 -2.224 9.950 3.375 1.00 0.00 O ATOM 0 H TYR A 81 1.542 5.349 4.011 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.613 3.964 2.905 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.649 5.553 1.636 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.237 5.007 0.754 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.088 5.633 2.068 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.592 7.756 2.385 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.310 7.642 2.775 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.374 9.765 3.097 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.588 10.677 3.540 1.00 0.00 H new ATOM 1259 N LEU A 82 2.302 2.617 2.332 1.00 0.00 N ATOM 1260 CA LEU A 82 2.976 1.442 1.792 1.00 0.00 C ATOM 1261 C LEU A 82 3.600 0.611 2.908 1.00 0.00 C ATOM 1262 O LEU A 82 4.138 1.154 3.872 1.00 0.00 O ATOM 1263 CB LEU A 82 4.053 1.863 0.790 1.00 0.00 C ATOM 1264 CG LEU A 82 3.550 2.374 -0.560 1.00 0.00 C ATOM 1265 CD1 LEU A 82 4.718 2.789 -1.442 1.00 0.00 C ATOM 1266 CD2 LEU A 82 2.708 1.312 -1.253 1.00 0.00 C ATOM 0 H LEU A 82 2.893 3.212 2.913 1.00 0.00 H new ATOM 0 HA LEU A 82 2.233 0.830 1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.662 2.643 1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.709 1.011 0.612 1.00 0.00 H new ATOM 0 HG LEU A 82 2.924 3.249 -0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.341 3.150 -2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.281 3.583 -0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.370 1.932 -1.609 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.359 1.694 -2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.311 0.419 -1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.851 1.062 -0.628 1.00 0.00 H new ATOM 1278 N GLN A 83 3.526 -0.709 2.769 1.00 0.00 N ATOM 1279 CA GLN A 83 4.086 -1.615 3.765 1.00 0.00 C ATOM 1280 C GLN A 83 5.175 -2.490 3.154 1.00 0.00 C ATOM 1281 O GLN A 83 5.005 -3.082 2.088 1.00 0.00 O ATOM 1282 CB GLN A 83 2.985 -2.492 4.362 1.00 0.00 C ATOM 1283 CG GLN A 83 1.823 -1.701 4.942 1.00 0.00 C ATOM 1284 CD GLN A 83 2.168 -1.038 6.260 1.00 0.00 C ATOM 1285 OE1 GLN A 83 2.850 -1.622 7.103 1.00 0.00 O ATOM 1286 NE2 GLN A 83 1.699 0.190 6.446 1.00 0.00 N ATOM 0 H GLN A 83 3.084 -1.175 1.977 1.00 0.00 H new ATOM 0 HA GLN A 83 4.532 -1.014 4.557 1.00 0.00 H new ATOM 0 HB2 GLN A 83 2.608 -3.162 3.590 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.415 -3.117 5.145 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.514 -0.939 4.226 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.972 -2.366 5.086 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.138 0.637 5.721 1.00 0.00 H new ATOM 0 HE22 GLN A 83 1.900 0.687 7.314 1.00 0.00 H new ATOM 1295 N PRO A 84 6.322 -2.575 3.844 1.00 0.00 N ATOM 1296 CA PRO A 84 7.462 -3.376 3.388 1.00 0.00 C ATOM 1297 C PRO A 84 7.188 -4.874 3.470 1.00 0.00 C ATOM 1298 O PRO A 84 6.537 -5.345 4.402 1.00 0.00 O ATOM 1299 CB PRO A 84 8.581 -2.984 4.356 1.00 0.00 C ATOM 1300 CG PRO A 84 7.875 -2.532 5.588 1.00 0.00 C ATOM 1301 CD PRO A 84 6.595 -1.896 5.122 1.00 0.00 C ATOM 0 HA PRO A 84 7.700 -3.187 2.341 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.239 -3.828 4.564 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.203 -2.190 3.942 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.674 -3.372 6.253 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.483 -1.821 6.148 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.787 -2.047 5.838 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.706 -0.820 4.990 1.00 0.00 H new ATOM 1309 N ALA A 85 7.689 -5.617 2.489 1.00 0.00 N ATOM 1310 CA ALA A 85 7.500 -7.062 2.452 1.00 0.00 C ATOM 1311 C ALA A 85 8.805 -7.778 2.121 1.00 0.00 C ATOM 1312 O ALA A 85 9.142 -7.967 0.953 1.00 0.00 O ATOM 1313 CB ALA A 85 6.424 -7.427 1.440 1.00 0.00 C ATOM 0 H ALA A 85 8.229 -5.242 1.709 1.00 0.00 H new ATOM 0 HA ALA A 85 7.179 -7.387 3.441 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.293 -8.509 1.422 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.484 -6.952 1.721 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.723 -7.082 0.450 1.00 0.00 H new ATOM 1319 N GLY A 86 9.537 -8.174 3.158 1.00 0.00 N ATOM 1320 CA GLY A 86 10.797 -8.864 2.956 1.00 0.00 C ATOM 1321 C GLY A 86 11.926 -8.260 3.768 1.00 0.00 C ATOM 1322 O GLY A 86 11.994 -7.042 3.939 1.00 0.00 O ATOM 0 H GLY A 86 9.280 -8.029 4.134 1.00 0.00 H new ATOM 0 HA2 GLY A 86 10.680 -9.913 3.226 1.00 0.00 H new ATOM 0 HA3 GLY A 86 11.058 -8.834 1.898 1.00 0.00 H new ATOM 1326 N ASP A 87 12.812 -9.112 4.271 1.00 0.00 N ATOM 1327 CA ASP A 87 13.943 -8.655 5.070 1.00 0.00 C ATOM 1328 C ASP A 87 14.728 -7.574 4.334 1.00 0.00 C ATOM 1329 O ASP A 87 15.514 -6.844 4.937 1.00 0.00 O ATOM 1330 CB ASP A 87 14.863 -9.829 5.409 1.00 0.00 C ATOM 1331 CG ASP A 87 15.737 -9.550 6.616 1.00 0.00 C ATOM 1332 OD1 ASP A 87 15.184 -9.375 7.722 1.00 0.00 O ATOM 1333 OD2 ASP A 87 16.975 -9.508 6.455 1.00 0.00 O ATOM 0 H ASP A 87 12.769 -10.123 4.140 1.00 0.00 H new ATOM 0 HA ASP A 87 13.554 -8.229 5.995 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.260 -10.717 5.598 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.496 -10.051 4.550 1.00 0.00 H new ATOM 1338 N MET A 88 14.509 -7.478 3.026 1.00 0.00 N ATOM 1339 CA MET A 88 15.196 -6.486 2.208 1.00 0.00 C ATOM 1340 C MET A 88 14.829 -5.072 2.645 1.00 0.00 C ATOM 1341 O MET A 88 15.623 -4.383 3.284 1.00 0.00 O ATOM 1342 CB MET A 88 14.849 -6.683 0.731 1.00 0.00 C ATOM 1343 CG MET A 88 15.547 -5.700 -0.194 1.00 0.00 C ATOM 1344 SD MET A 88 15.208 -6.023 -1.935 1.00 0.00 S ATOM 1345 CE MET A 88 15.793 -4.504 -2.682 1.00 0.00 C ATOM 0 H MET A 88 13.862 -8.075 2.511 1.00 0.00 H new ATOM 0 HA MET A 88 16.269 -6.621 2.343 1.00 0.00 H new ATOM 0 HB2 MET A 88 15.115 -7.698 0.436 1.00 0.00 H new ATOM 0 HB3 MET A 88 13.771 -6.586 0.604 1.00 0.00 H new ATOM 0 HG2 MET A 88 15.229 -4.687 0.052 1.00 0.00 H new ATOM 0 HG3 MET A 88 16.622 -5.747 -0.023 1.00 0.00 H new ATOM 0 HE1 MET A 88 15.092 -4.184 -3.453 1.00 0.00 H new ATOM 0 HE2 MET A 88 15.872 -3.730 -1.919 1.00 0.00 H new ATOM 0 HE3 MET A 88 16.772 -4.673 -3.130 1.00 0.00 H new ATOM 1355 N SER A 89 13.620 -4.644 2.294 1.00 0.00 N ATOM 1356 CA SER A 89 13.148 -3.310 2.647 1.00 0.00 C ATOM 1357 C SER A 89 12.947 -3.186 4.154 1.00 0.00 C ATOM 1358 O SER A 89 13.199 -2.134 4.742 1.00 0.00 O ATOM 1359 CB SER A 89 11.839 -2.999 1.919 1.00 0.00 C ATOM 1360 OG SER A 89 12.080 -2.632 0.572 1.00 0.00 O ATOM 0 H SER A 89 12.950 -5.202 1.765 1.00 0.00 H new ATOM 0 HA SER A 89 13.906 -2.590 2.339 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.186 -3.871 1.950 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.317 -2.191 2.432 1.00 0.00 H new ATOM 0 HG SER A 89 11.336 -2.086 0.244 1.00 0.00 H new ATOM 1366 N LYS A 90 12.490 -4.268 4.775 1.00 0.00 N ATOM 1367 CA LYS A 90 12.255 -4.284 6.214 1.00 0.00 C ATOM 1368 C LYS A 90 13.482 -3.786 6.971 1.00 0.00 C ATOM 1369 O LYS A 90 13.375 -2.932 7.851 1.00 0.00 O ATOM 1370 CB LYS A 90 11.896 -5.698 6.677 1.00 0.00 C ATOM 1371 CG LYS A 90 10.415 -6.017 6.566 1.00 0.00 C ATOM 1372 CD LYS A 90 10.055 -7.271 7.344 1.00 0.00 C ATOM 1373 CE LYS A 90 8.609 -7.679 7.105 1.00 0.00 C ATOM 1374 NZ LYS A 90 7.656 -6.783 7.816 1.00 0.00 N ATOM 0 H LYS A 90 12.275 -5.146 4.303 1.00 0.00 H new ATOM 0 HA LYS A 90 11.421 -3.615 6.428 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.460 -6.419 6.085 1.00 0.00 H new ATOM 0 HB3 LYS A 90 12.209 -5.822 7.714 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.832 -5.176 6.940 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.148 -6.149 5.518 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.717 -8.085 7.050 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.214 -7.099 8.408 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.398 -7.659 6.036 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.461 -8.706 7.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.681 -7.094 7.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.841 -6.821 8.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.779 -5.807 7.478 1.00 0.00 H new ATOM 1388 N SER A 91 14.646 -4.323 6.621 1.00 0.00 N ATOM 1389 CA SER A 91 15.893 -3.934 7.270 1.00 0.00 C ATOM 1390 C SER A 91 16.193 -2.458 7.030 1.00 0.00 C ATOM 1391 O SER A 91 16.950 -1.838 7.776 1.00 0.00 O ATOM 1392 CB SER A 91 17.050 -4.791 6.754 1.00 0.00 C ATOM 1393 OG SER A 91 17.060 -6.064 7.377 1.00 0.00 O ATOM 0 H SER A 91 14.752 -5.028 5.892 1.00 0.00 H new ATOM 0 HA SER A 91 15.781 -4.095 8.342 1.00 0.00 H new ATOM 0 HB2 SER A 91 16.964 -4.912 5.674 1.00 0.00 H new ATOM 0 HB3 SER A 91 17.996 -4.283 6.943 1.00 0.00 H new ATOM 0 HG SER A 91 16.567 -6.704 6.822 1.00 0.00 H new ATOM 1399 N ALA A 92 15.592 -1.901 5.984 1.00 0.00 N ATOM 1400 CA ALA A 92 15.792 -0.497 5.646 1.00 0.00 C ATOM 1401 C ALA A 92 14.921 0.406 6.513 1.00 0.00 C ATOM 1402 O ALA A 92 15.428 1.258 7.243 1.00 0.00 O ATOM 1403 CB ALA A 92 15.495 -0.262 4.172 1.00 0.00 C ATOM 0 H ALA A 92 14.962 -2.401 5.356 1.00 0.00 H new ATOM 0 HA ALA A 92 16.835 -0.247 5.840 1.00 0.00 H new ATOM 0 HB1 ALA A 92 15.648 0.790 3.933 1.00 0.00 H new ATOM 0 HB2 ALA A 92 16.163 -0.873 3.564 1.00 0.00 H new ATOM 0 HB3 ALA A 92 14.461 -0.535 3.961 1.00 0.00 H new ATOM 1409 N VAL A 93 13.609 0.214 6.428 1.00 0.00 N ATOM 1410 CA VAL A 93 12.668 1.011 7.206 1.00 0.00 C ATOM 1411 C VAL A 93 13.050 1.028 8.682 1.00 0.00 C ATOM 1412 O VAL A 93 12.598 1.885 9.441 1.00 0.00 O ATOM 1413 CB VAL A 93 11.230 0.477 7.066 1.00 0.00 C ATOM 1414 CG1 VAL A 93 10.716 0.691 5.650 1.00 0.00 C ATOM 1415 CG2 VAL A 93 11.169 -0.994 7.447 1.00 0.00 C ATOM 0 H VAL A 93 13.173 -0.487 5.828 1.00 0.00 H new ATOM 0 HA VAL A 93 12.711 2.026 6.811 1.00 0.00 H new ATOM 0 HB VAL A 93 10.587 1.033 7.748 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.699 0.308 5.570 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.722 1.756 5.418 1.00 0.00 H new ATOM 0 HG13 VAL A 93 11.359 0.163 4.946 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.146 -1.355 7.342 1.00 0.00 H new ATOM 0 HG22 VAL A 93 11.825 -1.567 6.792 1.00 0.00 H new ATOM 0 HG23 VAL A 93 11.493 -1.116 8.481 1.00 0.00 H new ATOM 1425 N ASP A 94 13.885 0.075 9.081 1.00 0.00 N ATOM 1426 CA ASP A 94 14.330 -0.019 10.467 1.00 0.00 C ATOM 1427 C ASP A 94 15.716 0.596 10.636 1.00 0.00 C ATOM 1428 O ASP A 94 16.032 1.163 11.680 1.00 0.00 O ATOM 1429 CB ASP A 94 14.349 -1.480 10.921 1.00 0.00 C ATOM 1430 CG ASP A 94 14.796 -1.633 12.361 1.00 0.00 C ATOM 1431 OD1 ASP A 94 15.910 -1.173 12.688 1.00 0.00 O ATOM 1432 OD2 ASP A 94 14.032 -2.213 13.161 1.00 0.00 O ATOM 0 H ASP A 94 14.267 -0.643 8.465 1.00 0.00 H new ATOM 0 HA ASP A 94 13.627 0.538 11.087 1.00 0.00 H new ATOM 0 HB2 ASP A 94 13.352 -1.906 10.806 1.00 0.00 H new ATOM 0 HB3 ASP A 94 15.016 -2.050 10.274 1.00 0.00 H new ATOM 1483 N ASN A 99 15.641 7.787 3.729 1.00 0.00 N ATOM 1484 CA ASN A 99 14.538 7.211 2.968 1.00 0.00 C ATOM 1485 C ASN A 99 14.518 5.692 3.103 1.00 0.00 C ATOM 1486 O ASN A 99 15.475 5.000 2.756 1.00 0.00 O ATOM 1487 CB ASN A 99 14.652 7.601 1.492 1.00 0.00 C ATOM 1488 CG ASN A 99 15.036 9.057 1.307 1.00 0.00 C ATOM 1489 OD1 ASN A 99 14.349 9.958 1.788 1.00 0.00 O ATOM 1490 ND2 ASN A 99 16.139 9.293 0.606 1.00 0.00 N ATOM 0 HA ASN A 99 13.606 7.606 3.372 1.00 0.00 H new ATOM 0 HB2 ASN A 99 15.395 6.968 1.008 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.700 7.413 0.995 1.00 0.00 H new ATOM 0 HD21 ASN A 99 16.447 10.252 0.448 1.00 0.00 H new ATOM 0 HD22 ASN A 99 16.678 8.515 0.226 1.00 0.00 H new ATOM 1497 N PRO A 100 13.401 5.159 3.620 1.00 0.00 N ATOM 1498 CA PRO A 100 13.228 3.716 3.813 1.00 0.00 C ATOM 1499 C PRO A 100 13.091 2.967 2.492 1.00 0.00 C ATOM 1500 O PRO A 100 13.309 1.757 2.427 1.00 0.00 O ATOM 1501 CB PRO A 100 11.930 3.619 4.619 1.00 0.00 C ATOM 1502 CG PRO A 100 11.181 4.862 4.282 1.00 0.00 C ATOM 1503 CD PRO A 100 12.220 5.924 4.056 1.00 0.00 C ATOM 0 HA PRO A 100 14.088 3.265 4.308 1.00 0.00 H new ATOM 0 HB2 PRO A 100 11.362 2.729 4.349 1.00 0.00 H new ATOM 0 HB3 PRO A 100 12.132 3.556 5.688 1.00 0.00 H new ATOM 0 HG2 PRO A 100 10.569 4.719 3.391 1.00 0.00 H new ATOM 0 HG3 PRO A 100 10.506 5.142 5.091 1.00 0.00 H new ATOM 0 HD2 PRO A 100 11.904 6.641 3.298 1.00 0.00 H new ATOM 0 HD3 PRO A 100 12.421 6.490 4.966 1.00 0.00 H new ATOM 1511 N PHE A 101 12.729 3.694 1.440 1.00 0.00 N ATOM 1512 CA PHE A 101 12.563 3.098 0.119 1.00 0.00 C ATOM 1513 C PHE A 101 13.910 2.679 -0.462 1.00 0.00 C ATOM 1514 O PHE A 101 14.929 3.330 -0.229 1.00 0.00 O ATOM 1515 CB PHE A 101 11.871 4.083 -0.825 1.00 0.00 C ATOM 1516 CG PHE A 101 11.011 3.417 -1.861 1.00 0.00 C ATOM 1517 CD1 PHE A 101 9.809 2.827 -1.508 1.00 0.00 C ATOM 1518 CD2 PHE A 101 11.407 3.380 -3.189 1.00 0.00 C ATOM 1519 CE1 PHE A 101 9.015 2.214 -2.459 1.00 0.00 C ATOM 1520 CE2 PHE A 101 10.617 2.769 -4.144 1.00 0.00 C ATOM 1521 CZ PHE A 101 9.420 2.184 -3.779 1.00 0.00 C ATOM 0 H PHE A 101 12.545 4.697 1.476 1.00 0.00 H new ATOM 0 HA PHE A 101 11.941 2.209 0.224 1.00 0.00 H new ATOM 0 HB2 PHE A 101 11.256 4.765 -0.238 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.628 4.687 -1.326 1.00 0.00 H new ATOM 0 HD1 PHE A 101 9.488 2.846 -0.477 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.343 3.834 -3.480 1.00 0.00 H new ATOM 0 HE1 PHE A 101 8.079 1.759 -2.170 1.00 0.00 H new ATOM 0 HE2 PHE A 101 10.935 2.749 -5.176 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.802 1.704 -4.524 1.00 0.00 H new ATOM 1531 N LEU A 102 13.907 1.587 -1.219 1.00 0.00 N ATOM 1532 CA LEU A 102 15.129 1.080 -1.834 1.00 0.00 C ATOM 1533 C LEU A 102 15.053 1.175 -3.355 1.00 0.00 C ATOM 1534 O LEU A 102 15.985 0.785 -4.059 1.00 0.00 O ATOM 1535 CB LEU A 102 15.370 -0.371 -1.414 1.00 0.00 C ATOM 1536 CG LEU A 102 15.533 -0.617 0.086 1.00 0.00 C ATOM 1537 CD1 LEU A 102 15.794 -2.090 0.360 1.00 0.00 C ATOM 1538 CD2 LEU A 102 16.657 0.240 0.648 1.00 0.00 C ATOM 0 H LEU A 102 13.073 1.036 -1.422 1.00 0.00 H new ATOM 0 HA LEU A 102 15.961 1.695 -1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 102 14.537 -0.975 -1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 102 16.266 -0.731 -1.920 1.00 0.00 H new ATOM 0 HG LEU A 102 14.605 -0.335 0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 102 15.907 -2.246 1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 102 14.955 -2.682 -0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 102 16.707 -2.399 -0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.759 0.052 1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 102 17.591 -0.010 0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.428 1.293 0.485 1.00 0.00 H new ATOM 1550 N ASP A 103 13.939 1.698 -3.855 1.00 0.00 N ATOM 1551 CA ASP A 103 13.742 1.848 -5.292 1.00 0.00 C ATOM 1552 C ASP A 103 14.413 0.710 -6.054 1.00 0.00 C ATOM 1553 O ASP A 103 15.123 0.938 -7.032 1.00 0.00 O ATOM 1554 CB ASP A 103 14.298 3.192 -5.766 1.00 0.00 C ATOM 1555 CG ASP A 103 14.152 3.383 -7.263 1.00 0.00 C ATOM 1556 OD1 ASP A 103 13.529 2.518 -7.914 1.00 0.00 O ATOM 1557 OD2 ASP A 103 14.660 4.398 -7.784 1.00 0.00 O ATOM 0 H ASP A 103 13.158 2.025 -3.286 1.00 0.00 H new ATOM 0 HA ASP A 103 12.671 1.814 -5.493 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.781 3.999 -5.247 1.00 0.00 H new ATOM 0 HB3 ASP A 103 15.351 3.262 -5.495 1.00 0.00 H new ATOM 1562 N ASN A 104 14.183 -0.517 -5.597 1.00 0.00 N ATOM 1563 CA ASN A 104 14.766 -1.692 -6.235 1.00 0.00 C ATOM 1564 C ASN A 104 13.682 -2.687 -6.637 1.00 0.00 C ATOM 1565 O ASN A 104 12.642 -2.806 -5.989 1.00 0.00 O ATOM 1566 CB ASN A 104 15.768 -2.364 -5.294 1.00 0.00 C ATOM 1567 CG ASN A 104 17.176 -1.829 -5.471 1.00 0.00 C ATOM 1568 OD1 ASN A 104 17.530 -1.322 -6.536 1.00 0.00 O ATOM 1569 ND2 ASN A 104 17.987 -1.941 -4.426 1.00 0.00 N ATOM 0 H ASN A 104 13.597 -0.723 -4.788 1.00 0.00 H new ATOM 0 HA ASN A 104 15.286 -1.366 -7.136 1.00 0.00 H new ATOM 0 HB2 ASN A 104 15.452 -2.212 -4.262 1.00 0.00 H new ATOM 0 HB3 ASN A 104 15.766 -3.439 -5.473 1.00 0.00 H new ATOM 0 HD21 ASN A 104 18.946 -1.600 -4.486 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.651 -2.368 -3.563 1.00 0.00 H new ATOM 1576 N PRO A 105 13.929 -3.422 -7.732 1.00 0.00 N ATOM 1577 CA PRO A 105 12.987 -4.421 -8.244 1.00 0.00 C ATOM 1578 C PRO A 105 12.880 -5.638 -7.332 1.00 0.00 C ATOM 1579 O PRO A 105 11.984 -6.468 -7.491 1.00 0.00 O ATOM 1580 CB PRO A 105 13.588 -4.816 -9.595 1.00 0.00 C ATOM 1581 CG PRO A 105 15.044 -4.529 -9.460 1.00 0.00 C ATOM 1582 CD PRO A 105 15.148 -3.333 -8.554 1.00 0.00 C ATOM 0 HA PRO A 105 11.973 -4.027 -8.312 1.00 0.00 H new ATOM 0 HB2 PRO A 105 13.411 -5.869 -9.815 1.00 0.00 H new ATOM 0 HB3 PRO A 105 13.145 -4.242 -10.409 1.00 0.00 H new ATOM 0 HG2 PRO A 105 15.573 -5.384 -9.040 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.493 -4.323 -10.432 1.00 0.00 H new ATOM 0 HD2 PRO A 105 16.049 -3.369 -7.942 1.00 0.00 H new ATOM 0 HD3 PRO A 105 15.184 -2.402 -9.120 1.00 0.00 H new ATOM 1590 N ASP A 106 13.799 -5.739 -6.378 1.00 0.00 N ATOM 1591 CA ASP A 106 13.807 -6.855 -5.440 1.00 0.00 C ATOM 1592 C ASP A 106 13.011 -6.514 -4.183 1.00 0.00 C ATOM 1593 O ASP A 106 12.655 -7.397 -3.404 1.00 0.00 O ATOM 1594 CB ASP A 106 15.243 -7.224 -5.064 1.00 0.00 C ATOM 1595 CG ASP A 106 15.898 -8.123 -6.094 1.00 0.00 C ATOM 1596 OD1 ASP A 106 16.436 -7.593 -7.088 1.00 0.00 O ATOM 1597 OD2 ASP A 106 15.871 -9.358 -5.906 1.00 0.00 O ATOM 0 H ASP A 106 14.548 -5.062 -6.234 1.00 0.00 H new ATOM 0 HA ASP A 106 13.336 -7.709 -5.927 1.00 0.00 H new ATOM 0 HB2 ASP A 106 15.832 -6.314 -4.954 1.00 0.00 H new ATOM 0 HB3 ASP A 106 15.245 -7.724 -4.096 1.00 0.00 H new ATOM 1602 N ALA A 107 12.736 -5.228 -3.994 1.00 0.00 N ATOM 1603 CA ALA A 107 11.982 -4.771 -2.833 1.00 0.00 C ATOM 1604 C ALA A 107 10.481 -4.881 -3.076 1.00 0.00 C ATOM 1605 O ALA A 107 9.962 -4.363 -4.065 1.00 0.00 O ATOM 1606 CB ALA A 107 12.360 -3.337 -2.490 1.00 0.00 C ATOM 0 H ALA A 107 13.024 -4.484 -4.630 1.00 0.00 H new ATOM 0 HA ALA A 107 12.235 -5.414 -1.990 1.00 0.00 H new ATOM 0 HB1 ALA A 107 11.790 -3.008 -1.621 1.00 0.00 H new ATOM 0 HB2 ALA A 107 13.425 -3.285 -2.265 1.00 0.00 H new ATOM 0 HB3 ALA A 107 12.136 -2.689 -3.337 1.00 0.00 H new ATOM 1612 N PHE A 108 9.787 -5.559 -2.168 1.00 0.00 N ATOM 1613 CA PHE A 108 8.345 -5.738 -2.284 1.00 0.00 C ATOM 1614 C PHE A 108 7.601 -4.766 -1.374 1.00 0.00 C ATOM 1615 O PHE A 108 8.153 -4.274 -0.389 1.00 0.00 O ATOM 1616 CB PHE A 108 7.959 -7.178 -1.937 1.00 0.00 C ATOM 1617 CG PHE A 108 8.768 -8.209 -2.670 1.00 0.00 C ATOM 1618 CD1 PHE A 108 8.892 -8.161 -4.049 1.00 0.00 C ATOM 1619 CD2 PHE A 108 9.406 -9.227 -1.979 1.00 0.00 C ATOM 1620 CE1 PHE A 108 9.636 -9.108 -4.726 1.00 0.00 C ATOM 1621 CE2 PHE A 108 10.152 -10.177 -2.651 1.00 0.00 C ATOM 1622 CZ PHE A 108 10.267 -10.118 -4.026 1.00 0.00 C ATOM 0 H PHE A 108 10.201 -5.994 -1.343 1.00 0.00 H new ATOM 0 HA PHE A 108 8.060 -5.532 -3.316 1.00 0.00 H new ATOM 0 HB2 PHE A 108 8.079 -7.329 -0.864 1.00 0.00 H new ATOM 0 HB3 PHE A 108 6.903 -7.327 -2.164 1.00 0.00 H new ATOM 0 HD1 PHE A 108 8.401 -7.374 -4.602 1.00 0.00 H new ATOM 0 HD2 PHE A 108 9.319 -9.279 -0.904 1.00 0.00 H new ATOM 0 HE1 PHE A 108 9.724 -9.059 -5.801 1.00 0.00 H new ATOM 0 HE2 PHE A 108 10.645 -10.965 -2.101 1.00 0.00 H new ATOM 0 HZ PHE A 108 10.849 -10.860 -4.553 1.00 0.00 H new ATOM 1632 N TYR A 109 6.345 -4.494 -1.710 1.00 0.00 N ATOM 1633 CA TYR A 109 5.525 -3.579 -0.925 1.00 0.00 C ATOM 1634 C TYR A 109 4.042 -3.903 -1.084 1.00 0.00 C ATOM 1635 O TYR A 109 3.605 -4.365 -2.139 1.00 0.00 O ATOM 1636 CB TYR A 109 5.790 -2.133 -1.348 1.00 0.00 C ATOM 1637 CG TYR A 109 7.208 -1.677 -1.087 1.00 0.00 C ATOM 1638 CD1 TYR A 109 7.664 -1.467 0.208 1.00 0.00 C ATOM 1639 CD2 TYR A 109 8.091 -1.456 -2.137 1.00 0.00 C ATOM 1640 CE1 TYR A 109 8.958 -1.049 0.451 1.00 0.00 C ATOM 1641 CE2 TYR A 109 9.388 -1.039 -1.903 1.00 0.00 C ATOM 1642 CZ TYR A 109 9.816 -0.837 -0.608 1.00 0.00 C ATOM 1643 OH TYR A 109 11.106 -0.422 -0.371 1.00 0.00 O ATOM 0 H TYR A 109 5.873 -4.894 -2.521 1.00 0.00 H new ATOM 0 HA TYR A 109 5.794 -3.699 0.124 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.573 -2.029 -2.411 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.102 -1.476 -0.816 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.995 -1.633 1.040 1.00 0.00 H new ATOM 0 HD2 TYR A 109 7.758 -1.613 -3.153 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.296 -0.889 1.464 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.062 -0.872 -2.730 1.00 0.00 H new ATOM 0 HH TYR A 109 11.579 -0.320 -1.223 1.00 0.00 H new ATOM 1653 N TYR A 110 3.273 -3.657 -0.029 1.00 0.00 N ATOM 1654 CA TYR A 110 1.840 -3.924 -0.049 1.00 0.00 C ATOM 1655 C TYR A 110 1.070 -2.818 0.667 1.00 0.00 C ATOM 1656 O TYR A 110 1.591 -2.171 1.576 1.00 0.00 O ATOM 1657 CB TYR A 110 1.542 -5.274 0.605 1.00 0.00 C ATOM 1658 CG TYR A 110 1.925 -5.336 2.067 1.00 0.00 C ATOM 1659 CD1 TYR A 110 1.033 -4.941 3.056 1.00 0.00 C ATOM 1660 CD2 TYR A 110 3.178 -5.789 2.458 1.00 0.00 C ATOM 1661 CE1 TYR A 110 1.378 -4.995 4.392 1.00 0.00 C ATOM 1662 CE2 TYR A 110 3.532 -5.849 3.793 1.00 0.00 C ATOM 1663 CZ TYR A 110 2.628 -5.450 4.756 1.00 0.00 C ATOM 1664 OH TYR A 110 2.977 -5.507 6.086 1.00 0.00 O ATOM 0 H TYR A 110 3.618 -3.273 0.851 1.00 0.00 H new ATOM 0 HA TYR A 110 1.516 -3.953 -1.089 1.00 0.00 H new ATOM 0 HB2 TYR A 110 0.478 -5.489 0.507 1.00 0.00 H new ATOM 0 HB3 TYR A 110 2.076 -6.056 0.065 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.053 -4.585 2.775 1.00 0.00 H new ATOM 0 HD2 TYR A 110 3.888 -6.100 1.706 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.673 -4.683 5.148 1.00 0.00 H new ATOM 0 HE2 TYR A 110 4.510 -6.206 4.080 1.00 0.00 H new ATOM 0 HH TYR A 110 3.891 -5.851 6.170 1.00 0.00 H new ATOM 1674 N PHE A 111 -0.174 -2.607 0.250 1.00 0.00 N ATOM 1675 CA PHE A 111 -1.017 -1.580 0.851 1.00 0.00 C ATOM 1676 C PHE A 111 -1.658 -2.087 2.140 1.00 0.00 C ATOM 1677 O PHE A 111 -1.982 -3.266 2.279 1.00 0.00 O ATOM 1678 CB PHE A 111 -2.104 -1.143 -0.134 1.00 0.00 C ATOM 1679 CG PHE A 111 -1.560 -0.530 -1.393 1.00 0.00 C ATOM 1680 CD1 PHE A 111 -0.694 0.550 -1.336 1.00 0.00 C ATOM 1681 CD2 PHE A 111 -1.914 -1.035 -2.634 1.00 0.00 C ATOM 1682 CE1 PHE A 111 -0.193 1.115 -2.493 1.00 0.00 C ATOM 1683 CE2 PHE A 111 -1.416 -0.474 -3.795 1.00 0.00 C ATOM 1684 CZ PHE A 111 -0.553 0.602 -3.724 1.00 0.00 C ATOM 0 H PHE A 111 -0.620 -3.133 -0.501 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.387 -0.723 1.092 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.716 -2.007 -0.395 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.760 -0.424 0.357 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.407 0.955 -0.377 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.587 -1.877 -2.695 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.480 1.958 -2.435 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.701 -0.876 -4.756 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.160 1.041 -4.629 1.00 0.00 H new ATOM 1694 N PRO A 112 -1.843 -1.175 3.106 1.00 0.00 N ATOM 1695 CA PRO A 112 -2.446 -1.505 4.400 1.00 0.00 C ATOM 1696 C PRO A 112 -3.932 -1.827 4.283 1.00 0.00 C ATOM 1697 O PRO A 112 -4.558 -2.274 5.245 1.00 0.00 O ATOM 1698 CB PRO A 112 -2.238 -0.231 5.223 1.00 0.00 C ATOM 1699 CG PRO A 112 -2.138 0.860 4.214 1.00 0.00 C ATOM 1700 CD PRO A 112 -1.480 0.249 3.008 1.00 0.00 C ATOM 0 HA PRO A 112 -1.997 -2.394 4.844 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -3.069 -0.062 5.908 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -1.334 -0.294 5.829 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -3.124 1.252 3.964 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.551 1.694 4.598 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -1.845 0.694 2.082 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.399 0.390 3.025 1.00 0.00 H new ATOM 1708 N ASP A 113 -4.490 -1.599 3.100 1.00 0.00 N ATOM 1709 CA ASP A 113 -5.903 -1.867 2.856 1.00 0.00 C ATOM 1710 C ASP A 113 -6.080 -3.124 2.010 1.00 0.00 C ATOM 1711 O ASP A 113 -6.974 -3.932 2.261 1.00 0.00 O ATOM 1712 CB ASP A 113 -6.558 -0.673 2.161 1.00 0.00 C ATOM 1713 CG ASP A 113 -8.047 -0.867 1.956 1.00 0.00 C ATOM 1714 OD1 ASP A 113 -8.441 -1.934 1.439 1.00 0.00 O ATOM 1715 OD2 ASP A 113 -8.819 0.047 2.313 1.00 0.00 O ATOM 0 H ASP A 113 -3.986 -1.229 2.294 1.00 0.00 H new ATOM 0 HA ASP A 113 -6.388 -2.028 3.819 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -6.390 0.226 2.754 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -6.079 -0.511 1.195 1.00 0.00 H new ATOM 1720 N SER A 114 -5.223 -3.281 1.007 1.00 0.00 N ATOM 1721 CA SER A 114 -5.287 -4.437 0.121 1.00 0.00 C ATOM 1722 C SER A 114 -5.204 -5.737 0.916 1.00 0.00 C ATOM 1723 O SER A 114 -4.349 -5.892 1.786 1.00 0.00 O ATOM 1724 CB SER A 114 -4.156 -4.382 -0.908 1.00 0.00 C ATOM 1725 OG SER A 114 -4.427 -5.229 -2.011 1.00 0.00 O ATOM 0 H SER A 114 -4.476 -2.622 0.787 1.00 0.00 H new ATOM 0 HA SER A 114 -6.244 -4.411 -0.400 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.027 -3.357 -1.256 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.219 -4.680 -0.439 1.00 0.00 H new ATOM 0 HG SER A 114 -3.690 -5.174 -2.654 1.00 0.00 H new ATOM 1731 N GLY A 115 -6.101 -6.669 0.609 1.00 0.00 N ATOM 1732 CA GLY A 115 -6.113 -7.944 1.303 1.00 0.00 C ATOM 1733 C GLY A 115 -4.774 -8.651 1.240 1.00 0.00 C ATOM 1734 O GLY A 115 -4.557 -9.511 0.386 1.00 0.00 O ATOM 0 H GLY A 115 -6.819 -6.564 -0.108 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.387 -7.784 2.346 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.879 -8.584 0.867 1.00 0.00 H new ATOM 1738 N PHE A 116 -3.872 -8.288 2.146 1.00 0.00 N ATOM 1739 CA PHE A 116 -2.545 -8.892 2.189 1.00 0.00 C ATOM 1740 C PHE A 116 -2.531 -10.109 3.109 1.00 0.00 C ATOM 1741 O PHE A 116 -2.933 -10.029 4.270 1.00 0.00 O ATOM 1742 CB PHE A 116 -1.511 -7.869 2.662 1.00 0.00 C ATOM 1743 CG PHE A 116 -0.184 -8.477 3.017 1.00 0.00 C ATOM 1744 CD1 PHE A 116 0.744 -8.771 2.031 1.00 0.00 C ATOM 1745 CD2 PHE A 116 0.134 -8.755 4.336 1.00 0.00 C ATOM 1746 CE1 PHE A 116 1.965 -9.332 2.355 1.00 0.00 C ATOM 1747 CE2 PHE A 116 1.354 -9.316 4.666 1.00 0.00 C ATOM 1748 CZ PHE A 116 2.271 -9.604 3.674 1.00 0.00 C ATOM 0 H PHE A 116 -4.036 -7.579 2.860 1.00 0.00 H new ATOM 0 HA PHE A 116 -2.289 -9.218 1.181 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -1.363 -7.125 1.879 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.904 -7.342 3.531 1.00 0.00 H new ATOM 0 HD1 PHE A 116 0.511 -8.559 0.998 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -0.579 -8.531 5.116 1.00 0.00 H new ATOM 0 HE1 PHE A 116 2.679 -9.558 1.577 1.00 0.00 H new ATOM 0 HE2 PHE A 116 1.590 -9.529 5.698 1.00 0.00 H new ATOM 0 HZ PHE A 116 3.225 -10.041 3.929 1.00 0.00 H new ATOM 1758 N PHE A 117 -2.066 -11.237 2.581 1.00 0.00 N ATOM 1759 CA PHE A 117 -2.000 -12.472 3.354 1.00 0.00 C ATOM 1760 C PHE A 117 -0.720 -13.242 3.040 1.00 0.00 C ATOM 1761 O PHE A 117 -0.499 -13.663 1.904 1.00 0.00 O ATOM 1762 CB PHE A 117 -3.220 -13.347 3.060 1.00 0.00 C ATOM 1763 CG PHE A 117 -3.075 -14.182 1.820 1.00 0.00 C ATOM 1764 CD1 PHE A 117 -2.443 -15.414 1.868 1.00 0.00 C ATOM 1765 CD2 PHE A 117 -3.570 -13.734 0.606 1.00 0.00 C ATOM 1766 CE1 PHE A 117 -2.307 -16.183 0.728 1.00 0.00 C ATOM 1767 CE2 PHE A 117 -3.438 -14.500 -0.538 1.00 0.00 C ATOM 1768 CZ PHE A 117 -2.807 -15.726 -0.476 1.00 0.00 C ATOM 0 H PHE A 117 -1.730 -11.321 1.622 1.00 0.00 H new ATOM 0 HA PHE A 117 -1.995 -12.210 4.412 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -3.400 -14.004 3.911 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -4.098 -12.709 2.958 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -2.052 -15.777 2.807 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -4.065 -12.775 0.552 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -1.810 -17.141 0.778 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -3.828 -14.139 -1.478 1.00 0.00 H new ATOM 0 HZ PHE A 117 -2.704 -16.327 -1.367 1.00 0.00 H new ATOM 1778 N CYS A 118 0.118 -13.421 4.055 1.00 0.00 N ATOM 1779 CA CYS A 118 1.377 -14.139 3.888 1.00 0.00 C ATOM 1780 C CYS A 118 1.216 -15.610 4.257 1.00 0.00 C ATOM 1781 O CYS A 118 0.697 -15.939 5.323 1.00 0.00 O ATOM 1782 CB CYS A 118 2.469 -13.501 4.748 1.00 0.00 C ATOM 1783 SG CYS A 118 2.370 -13.926 6.503 1.00 0.00 S ATOM 0 H CYS A 118 -0.051 -13.079 5.001 1.00 0.00 H new ATOM 0 HA CYS A 118 1.668 -14.076 2.839 1.00 0.00 H new ATOM 0 HB2 CYS A 118 3.443 -13.807 4.366 1.00 0.00 H new ATOM 0 HB3 CYS A 118 2.412 -12.417 4.644 1.00 0.00 H new ATOM 0 HG CYS A 118 1.552 -14.924 6.662 1.00 0.00 H new ATOM 1789 N GLU A 119 1.665 -16.490 3.367 1.00 0.00 N ATOM 1790 CA GLU A 119 1.568 -17.927 3.599 1.00 0.00 C ATOM 1791 C GLU A 119 2.952 -18.570 3.614 1.00 0.00 C ATOM 1792 O GLU A 119 3.696 -18.486 2.637 1.00 0.00 O ATOM 1793 CB GLU A 119 0.700 -18.582 2.523 1.00 0.00 C ATOM 1794 CG GLU A 119 1.135 -18.251 1.105 1.00 0.00 C ATOM 1795 CD GLU A 119 0.080 -18.601 0.074 1.00 0.00 C ATOM 1796 OE1 GLU A 119 -0.764 -19.476 0.363 1.00 0.00 O ATOM 1797 OE2 GLU A 119 0.097 -18.001 -1.021 1.00 0.00 O ATOM 0 H GLU A 119 2.099 -16.234 2.480 1.00 0.00 H new ATOM 0 HA GLU A 119 1.104 -18.082 4.573 1.00 0.00 H new ATOM 0 HB2 GLU A 119 0.723 -19.663 2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -0.334 -18.266 2.660 1.00 0.00 H new ATOM 0 HG2 GLU A 119 1.364 -17.187 1.038 1.00 0.00 H new ATOM 0 HG3 GLU A 119 2.054 -18.790 0.876 1.00 0.00 H new