USER MOD reduce.3.24.130724 H: found=0, std=0, add=996, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 998 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 131 GLN : amide:sc= -1.12! X(o=-0.87!,f=-0.8) USER MOD Set 1.2: A 134 LYS NZ :NH3+ -168:sc= 0.251 (180deg=-0.0364) USER MOD Set 2.1: A 127 LYS NZ :NH3+ -170:sc= 2.4 (180deg=0.726) USER MOD Set 2.2: A 128 SER OG : rot -100:sc= 1.1 USER MOD Set 3.1: A 93 TYR OH : rot -3:sc= 1.1 USER MOD Set 3.2: A 98 MET CE :methyl -146:sc= -1 (180deg=-0.688) USER MOD Set 3.3: A 121 HIS : no HE2:sc= -0.444 X(o=-0.35,f=-0.6) USER MOD Set 4.1: A 80 GLN : amide:sc= 0.839 K(o=2,f=0.96) USER MOD Set 4.2: A 115 TYR OH : rot -153:sc= 1.19 USER MOD Set 5.1: A 78 LYS NZ :NH3+ 180:sc= 1.75 (180deg=0.573) USER MOD Set 5.2: A 120 THR OG1 : rot 64:sc= 1.8 USER MOD Single : A 8 HIS : no HE2:sc= 0.25 K(o=0.25,f=-6.9!) USER MOD Single : A 9 LYS NZ :NH3+ -170:sc= 0.538 (180deg=0.342) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -166:sc= -0.0246 (180deg=-0.278) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 179:sc= -0.168 (180deg=-0.18) USER MOD Single : A 27 TYR OH : rot 62:sc= 0.227 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 1.04 (180deg=1.04) USER MOD Single : A 30 GLN : amide:sc= -0.321 K(o=-0.32,f=-1.4!) USER MOD Single : A 32 MET CE :methyl -174:sc= -0.132 (180deg=-0.199) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 120:sc= 0.0341 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0319 USER MOD Single : A 62 THR OG1 : rot 76:sc= 0.0286 USER MOD Single : A 63 LYS NZ :NH3+ 178:sc= 0.942 (180deg=0.72) USER MOD Single : A 64 LYS NZ :NH3+ 132:sc= -0.823 (180deg=-2.91!) USER MOD Single : A 65 MET CE :methyl 160:sc= -0.126 (180deg=-0.723) USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 70 LYS NZ :NH3+ 168:sc= -0.022 (180deg=-0.195) USER MOD Single : A 71 LYS NZ :NH3+ -163:sc= 1.24 (180deg=1.01) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 173:sc= -0.0111 (180deg=-0.0931) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot -170:sc= 1.37 USER MOD Single : A 97 LYS NZ :NH3+ -163:sc= 0.919 (180deg=0.697) USER MOD Single : A 100 ASN : amide:sc= 0.382 K(o=0.38,f=-6.6!) USER MOD Single : A 106 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.16) USER MOD Single : A 110 LYS NZ :NH3+ -136:sc= -0.275 (180deg=-0.927) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 ASN : amide:sc= 1.34 K(o=1.3,f=-8.9!) USER MOD Single : A 119 ASN : amide:sc= -1.02 K(o=-1,f=-3.4!) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 133 LYS NZ :NH3+ -154:sc= 0.905 (180deg=0.524) USER MOD Single : A 136 LYS NZ :NH3+ 166:sc= -0.0357 (180deg=-0.252) USER MOD Single : A 138 ASN :FLIP amide:sc= -0.955 F(o=-1.9,f=-0.96) USER MOD Single : A 141 SER OG : rot -33:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 115 N HIS A 8 -4.540 -16.562 2.683 1.00 0.00 N ATOM 116 CA HIS A 8 -4.490 -17.314 1.431 1.00 0.00 C ATOM 117 C HIS A 8 -4.506 -16.390 0.237 1.00 0.00 C ATOM 118 O HIS A 8 -5.272 -15.425 0.212 1.00 0.00 O ATOM 119 CB HIS A 8 -5.677 -18.316 1.328 1.00 0.00 C ATOM 120 CG HIS A 8 -7.050 -17.673 1.292 1.00 0.00 C ATOM 121 ND1 HIS A 8 -7.832 -17.608 0.161 1.00 0.00 N ATOM 122 CD2 HIS A 8 -7.761 -17.058 2.263 1.00 0.00 C ATOM 123 CE1 HIS A 8 -8.951 -16.989 0.438 1.00 0.00 C ATOM 124 NE2 HIS A 8 -8.936 -16.644 1.705 1.00 0.00 N ATOM 0 HA HIS A 8 -3.555 -17.874 1.431 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.549 -18.918 0.428 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.633 -18.998 2.177 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -7.578 -17.984 -0.752 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.456 -16.920 3.290 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -9.753 -16.794 -0.259 1.00 0.00 H new ATOM 133 N LYS A 9 -3.680 -16.687 -0.733 1.00 0.00 N ATOM 134 CA LYS A 9 -3.658 -15.949 -1.955 1.00 0.00 C ATOM 135 C LYS A 9 -4.621 -16.520 -2.930 1.00 0.00 C ATOM 136 O LYS A 9 -4.853 -17.725 -2.967 1.00 0.00 O ATOM 137 CB LYS A 9 -2.310 -15.956 -2.637 1.00 0.00 C ATOM 138 CG LYS A 9 -1.270 -15.027 -2.088 1.00 0.00 C ATOM 139 CD LYS A 9 -0.600 -15.562 -0.858 1.00 0.00 C ATOM 140 CE LYS A 9 0.703 -14.820 -0.604 1.00 0.00 C ATOM 141 NZ LYS A 9 1.674 -15.002 -1.728 1.00 0.00 N ATOM 0 H LYS A 9 -3.005 -17.450 -0.691 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.915 -14.929 -1.671 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.914 -16.971 -2.597 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.460 -15.714 -3.689 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.517 -14.840 -2.853 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.733 -14.068 -1.855 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.262 -15.454 0.001 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.403 -16.627 -0.977 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.497 -13.758 -0.470 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.150 -15.177 0.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.603 -14.628 -1.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.761 -16.014 -1.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.333 -14.491 -2.567 1.00 0.00 H new ATOM 155 N GLU A 10 -5.167 -15.661 -3.694 1.00 0.00 N ATOM 156 CA GLU A 10 -6.007 -15.997 -4.798 1.00 0.00 C ATOM 157 C GLU A 10 -5.430 -15.246 -6.000 1.00 0.00 C ATOM 158 O GLU A 10 -4.944 -14.117 -5.835 1.00 0.00 O ATOM 159 CB GLU A 10 -7.454 -15.547 -4.540 1.00 0.00 C ATOM 160 CG GLU A 10 -8.131 -16.157 -3.307 1.00 0.00 C ATOM 161 CD GLU A 10 -8.205 -17.671 -3.330 1.00 0.00 C ATOM 162 OE1 GLU A 10 -8.764 -18.246 -4.288 1.00 0.00 O ATOM 163 OE2 GLU A 10 -7.773 -18.310 -2.355 1.00 0.00 O ATOM 0 H GLU A 10 -5.043 -14.656 -3.572 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.033 -17.074 -4.963 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.465 -14.462 -4.438 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.053 -15.790 -5.418 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.589 -15.843 -2.415 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.141 -15.755 -3.224 1.00 0.00 H new ATOM 170 N PRO A 11 -5.409 -15.848 -7.188 1.00 0.00 N ATOM 171 CA PRO A 11 -4.859 -15.199 -8.384 1.00 0.00 C ATOM 172 C PRO A 11 -5.722 -14.020 -8.851 1.00 0.00 C ATOM 173 O PRO A 11 -6.962 -14.102 -8.872 1.00 0.00 O ATOM 174 CB PRO A 11 -4.855 -16.316 -9.430 1.00 0.00 C ATOM 175 CG PRO A 11 -5.900 -17.272 -8.974 1.00 0.00 C ATOM 176 CD PRO A 11 -5.907 -17.202 -7.474 1.00 0.00 C ATOM 0 HA PRO A 11 -3.872 -14.773 -8.201 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.081 -15.928 -10.423 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.879 -16.797 -9.490 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.876 -17.005 -9.381 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.678 -18.283 -9.315 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.908 -17.354 -7.070 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.266 -17.966 -7.034 1.00 0.00 H new ATOM 184 N ALA A 12 -5.074 -12.935 -9.216 1.00 0.00 N ATOM 185 CA ALA A 12 -5.766 -11.750 -9.647 1.00 0.00 C ATOM 186 C ALA A 12 -5.094 -11.159 -10.871 1.00 0.00 C ATOM 187 O ALA A 12 -3.933 -11.448 -11.156 1.00 0.00 O ATOM 188 CB ALA A 12 -5.785 -10.741 -8.524 1.00 0.00 C ATOM 0 H ALA A 12 -4.057 -12.854 -9.221 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.790 -12.013 -9.912 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.309 -9.843 -8.851 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.297 -11.167 -7.661 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -4.762 -10.484 -8.248 1.00 0.00 H new ATOM 194 N THR A 13 -5.825 -10.372 -11.612 1.00 0.00 N ATOM 195 CA THR A 13 -5.308 -9.709 -12.793 1.00 0.00 C ATOM 196 C THR A 13 -5.823 -8.273 -12.793 1.00 0.00 C ATOM 197 O THR A 13 -7.011 -8.064 -12.674 1.00 0.00 O ATOM 198 CB THR A 13 -5.800 -10.443 -14.059 1.00 0.00 C ATOM 199 OG1 THR A 13 -5.548 -11.852 -13.910 1.00 0.00 O ATOM 200 CG2 THR A 13 -5.072 -9.937 -15.294 1.00 0.00 C ATOM 0 H THR A 13 -6.805 -10.167 -11.417 1.00 0.00 H new ATOM 0 HA THR A 13 -4.218 -9.718 -12.787 1.00 0.00 H new ATOM 0 HB THR A 13 -6.867 -10.256 -14.181 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.859 -12.326 -14.709 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.435 -10.468 -16.174 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.257 -8.869 -15.413 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.002 -10.110 -15.182 1.00 0.00 H new ATOM 208 N LEU A 14 -4.944 -7.298 -12.890 1.00 0.00 N ATOM 209 CA LEU A 14 -5.357 -5.899 -12.811 1.00 0.00 C ATOM 210 C LEU A 14 -6.191 -5.480 -14.016 1.00 0.00 C ATOM 211 O LEU A 14 -5.902 -5.876 -15.153 1.00 0.00 O ATOM 212 CB LEU A 14 -4.157 -4.965 -12.725 1.00 0.00 C ATOM 213 CG LEU A 14 -4.513 -3.488 -12.534 1.00 0.00 C ATOM 214 CD1 LEU A 14 -4.910 -3.194 -11.101 1.00 0.00 C ATOM 215 CD2 LEU A 14 -3.412 -2.582 -13.015 1.00 0.00 C ATOM 0 H LEU A 14 -3.943 -7.439 -13.023 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.958 -5.819 -11.905 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.524 -5.283 -11.897 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.566 -5.068 -13.635 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.384 -3.279 -13.155 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.156 -2.137 -11.001 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.779 -3.796 -10.833 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.081 -3.438 -10.436 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.703 -1.543 -12.862 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.500 -2.789 -12.456 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.234 -2.757 -14.076 1.00 0.00 H new ATOM 227 N ILE A 15 -7.217 -4.700 -13.762 1.00 0.00 N ATOM 228 CA ILE A 15 -7.994 -4.108 -14.819 1.00 0.00 C ATOM 229 C ILE A 15 -7.712 -2.612 -14.819 1.00 0.00 C ATOM 230 O ILE A 15 -7.285 -2.046 -15.835 1.00 0.00 O ATOM 231 CB ILE A 15 -9.515 -4.358 -14.651 1.00 0.00 C ATOM 232 CG1 ILE A 15 -9.814 -5.866 -14.626 1.00 0.00 C ATOM 233 CG2 ILE A 15 -10.292 -3.671 -15.775 1.00 0.00 C ATOM 234 CD1 ILE A 15 -11.276 -6.195 -14.454 1.00 0.00 C ATOM 0 H ILE A 15 -7.532 -4.461 -12.822 1.00 0.00 H new ATOM 0 HA ILE A 15 -7.707 -4.568 -15.765 1.00 0.00 H new ATOM 0 HB ILE A 15 -9.835 -3.932 -13.700 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.458 -6.313 -15.554 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -9.250 -6.325 -13.814 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -11.359 -3.855 -15.645 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -10.102 -2.598 -15.745 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.970 -4.070 -16.737 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.407 -7.277 -14.446 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.634 -5.779 -13.512 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -11.845 -5.767 -15.279 1.00 0.00 H new ATOM 246 N LYS A 16 -7.937 -1.979 -13.671 1.00 0.00 N ATOM 247 CA LYS A 16 -7.671 -0.569 -13.484 1.00 0.00 C ATOM 248 C LYS A 16 -7.202 -0.308 -12.072 1.00 0.00 C ATOM 249 O LYS A 16 -7.719 -0.891 -11.118 1.00 0.00 O ATOM 250 CB LYS A 16 -8.921 0.295 -13.738 1.00 0.00 C ATOM 251 CG LYS A 16 -9.369 0.399 -15.180 1.00 0.00 C ATOM 252 CD LYS A 16 -10.581 1.303 -15.305 1.00 0.00 C ATOM 253 CE LYS A 16 -10.995 1.488 -16.755 1.00 0.00 C ATOM 254 NZ LYS A 16 -9.931 2.122 -17.567 1.00 0.00 N ATOM 0 H LYS A 16 -8.312 -2.440 -12.842 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.900 -0.298 -14.205 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.745 -0.110 -13.150 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.726 1.300 -13.364 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.555 0.789 -15.791 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.609 -0.593 -15.563 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.411 0.879 -14.740 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.358 2.274 -14.863 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.248 0.519 -17.185 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.896 2.101 -16.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.330 2.443 -18.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.541 2.937 -17.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.174 1.432 -17.747 1.00 0.00 H new ATOM 268 N ALA A 17 -6.226 0.523 -11.934 1.00 0.00 N ATOM 269 CA ALA A 17 -5.821 0.979 -10.645 1.00 0.00 C ATOM 270 C ALA A 17 -6.541 2.279 -10.439 1.00 0.00 C ATOM 271 O ALA A 17 -6.381 3.201 -11.238 1.00 0.00 O ATOM 272 CB ALA A 17 -4.319 1.166 -10.580 1.00 0.00 C ATOM 0 H ALA A 17 -5.686 0.906 -12.710 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.066 0.257 -9.866 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.038 1.514 -9.586 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.825 0.216 -10.785 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.012 1.902 -11.323 1.00 0.00 H new ATOM 278 N ILE A 18 -7.365 2.346 -9.426 1.00 0.00 N ATOM 279 CA ILE A 18 -8.211 3.497 -9.253 1.00 0.00 C ATOM 280 C ILE A 18 -7.454 4.625 -8.552 1.00 0.00 C ATOM 281 O ILE A 18 -7.229 5.686 -9.145 1.00 0.00 O ATOM 282 CB ILE A 18 -9.500 3.129 -8.463 1.00 0.00 C ATOM 283 CG1 ILE A 18 -10.223 1.958 -9.140 1.00 0.00 C ATOM 284 CG2 ILE A 18 -10.432 4.325 -8.376 1.00 0.00 C ATOM 285 CD1 ILE A 18 -11.488 1.533 -8.431 1.00 0.00 C ATOM 0 H ILE A 18 -7.468 1.623 -8.714 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.509 3.846 -10.242 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.210 2.834 -7.454 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.468 2.237 -10.165 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.544 1.107 -9.195 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -11.328 4.048 -7.820 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -9.926 5.144 -7.865 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -10.712 4.642 -9.381 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.944 0.701 -8.967 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.248 1.222 -7.414 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.186 2.370 -8.399 1.00 0.00 H new ATOM 297 N ASP A 19 -7.012 4.366 -7.325 1.00 0.00 N ATOM 298 CA ASP A 19 -6.271 5.347 -6.528 1.00 0.00 C ATOM 299 C ASP A 19 -5.745 4.758 -5.235 1.00 0.00 C ATOM 300 O ASP A 19 -6.474 4.618 -4.262 1.00 0.00 O ATOM 301 CB ASP A 19 -7.049 6.682 -6.264 1.00 0.00 C ATOM 302 CG ASP A 19 -8.418 6.529 -5.616 1.00 0.00 C ATOM 303 OD1 ASP A 19 -9.412 6.389 -6.344 1.00 0.00 O ATOM 304 OD2 ASP A 19 -8.544 6.603 -4.380 1.00 0.00 O ATOM 0 H ASP A 19 -7.155 3.473 -6.853 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.418 5.616 -7.151 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.435 7.319 -5.628 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.173 7.203 -7.213 1.00 0.00 H new ATOM 309 N GLY A 20 -4.493 4.305 -5.298 1.00 0.00 N ATOM 310 CA GLY A 20 -3.737 3.873 -4.132 1.00 0.00 C ATOM 311 C GLY A 20 -4.329 2.683 -3.427 1.00 0.00 C ATOM 312 O GLY A 20 -4.039 1.540 -3.743 1.00 0.00 O ATOM 0 H GLY A 20 -3.973 4.228 -6.172 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.720 3.631 -4.440 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.668 4.703 -3.428 1.00 0.00 H new ATOM 316 N ASP A 21 -5.211 2.993 -2.532 1.00 0.00 N ATOM 317 CA ASP A 21 -5.892 2.053 -1.673 1.00 0.00 C ATOM 318 C ASP A 21 -6.863 1.224 -2.460 1.00 0.00 C ATOM 319 O ASP A 21 -7.089 0.051 -2.166 1.00 0.00 O ATOM 320 CB ASP A 21 -6.726 2.854 -0.694 1.00 0.00 C ATOM 321 CG ASP A 21 -6.303 2.753 0.715 1.00 0.00 C ATOM 322 OD1 ASP A 21 -6.806 1.879 1.433 1.00 0.00 O ATOM 323 OD2 ASP A 21 -5.538 3.612 1.139 1.00 0.00 O ATOM 0 H ASP A 21 -5.497 3.958 -2.365 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.152 1.414 -1.191 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.700 3.902 -0.991 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.763 2.527 -0.771 1.00 0.00 H new ATOM 328 N THR A 22 -7.454 1.841 -3.449 1.00 0.00 N ATOM 329 CA THR A 22 -8.486 1.209 -4.186 1.00 0.00 C ATOM 330 C THR A 22 -8.035 0.874 -5.613 1.00 0.00 C ATOM 331 O THR A 22 -7.526 1.736 -6.354 1.00 0.00 O ATOM 332 CB THR A 22 -9.705 2.119 -4.225 1.00 0.00 C ATOM 333 OG1 THR A 22 -9.834 2.749 -2.938 1.00 0.00 O ATOM 334 CG2 THR A 22 -10.955 1.314 -4.485 1.00 0.00 C ATOM 0 H THR A 22 -7.228 2.787 -3.755 1.00 0.00 H new ATOM 0 HA THR A 22 -8.737 0.271 -3.691 1.00 0.00 H new ATOM 0 HB THR A 22 -9.581 2.855 -5.019 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.614 3.343 -2.941 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.818 1.980 -4.510 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.865 0.801 -5.442 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.086 0.579 -3.691 1.00 0.00 H new ATOM 342 N VAL A 23 -8.215 -0.368 -5.982 1.00 0.00 N ATOM 343 CA VAL A 23 -7.907 -0.860 -7.309 1.00 0.00 C ATOM 344 C VAL A 23 -9.074 -1.699 -7.776 1.00 0.00 C ATOM 345 O VAL A 23 -9.909 -2.094 -6.966 1.00 0.00 O ATOM 346 CB VAL A 23 -6.595 -1.716 -7.358 1.00 0.00 C ATOM 347 CG1 VAL A 23 -5.373 -0.880 -7.004 1.00 0.00 C ATOM 348 CG2 VAL A 23 -6.690 -2.932 -6.441 1.00 0.00 C ATOM 0 H VAL A 23 -8.587 -1.084 -5.359 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.740 -0.001 -7.959 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.480 -2.070 -8.383 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.480 -1.504 -7.047 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.276 -0.058 -7.714 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.486 -0.478 -5.997 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.764 -3.504 -6.498 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.850 -2.602 -5.414 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.524 -3.560 -6.754 1.00 0.00 H new ATOM 358 N LYS A 24 -9.157 -1.948 -9.047 1.00 0.00 N ATOM 359 CA LYS A 24 -10.213 -2.748 -9.584 1.00 0.00 C ATOM 360 C LYS A 24 -9.581 -3.803 -10.459 1.00 0.00 C ATOM 361 O LYS A 24 -8.966 -3.491 -11.498 1.00 0.00 O ATOM 362 CB LYS A 24 -11.178 -1.874 -10.383 1.00 0.00 C ATOM 363 CG LYS A 24 -12.529 -2.520 -10.649 1.00 0.00 C ATOM 364 CD LYS A 24 -13.474 -1.544 -11.323 1.00 0.00 C ATOM 365 CE LYS A 24 -14.870 -2.127 -11.463 1.00 0.00 C ATOM 366 NZ LYS A 24 -15.806 -1.178 -12.111 1.00 0.00 N ATOM 0 H LYS A 24 -8.494 -1.602 -9.741 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.788 -3.222 -8.788 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.334 -0.939 -9.845 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.715 -1.619 -11.337 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.398 -3.399 -11.280 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.963 -2.863 -9.710 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.520 -0.622 -10.744 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.087 -1.283 -12.308 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.822 -3.045 -12.048 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.251 -2.396 -10.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.747 -1.615 -12.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.872 -0.311 -11.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.457 -0.941 -13.061 1.00 0.00 H new ATOM 380 N LEU A 25 -9.681 -5.025 -10.052 1.00 0.00 N ATOM 381 CA LEU A 25 -9.040 -6.075 -10.763 1.00 0.00 C ATOM 382 C LEU A 25 -9.991 -7.215 -11.070 1.00 0.00 C ATOM 383 O LEU A 25 -11.112 -7.270 -10.549 1.00 0.00 O ATOM 384 CB LEU A 25 -7.744 -6.535 -10.028 1.00 0.00 C ATOM 385 CG LEU A 25 -7.838 -6.940 -8.545 1.00 0.00 C ATOM 386 CD1 LEU A 25 -8.554 -8.266 -8.357 1.00 0.00 C ATOM 387 CD2 LEU A 25 -6.455 -6.976 -7.912 1.00 0.00 C ATOM 0 H LEU A 25 -10.203 -5.319 -9.227 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.728 -5.687 -11.733 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.336 -7.384 -10.577 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.016 -5.727 -10.104 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.435 -6.181 -8.039 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.596 -8.510 -7.295 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.567 -8.192 -8.752 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.014 -9.050 -8.888 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.542 -7.264 -6.864 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.833 -7.701 -8.437 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.998 -5.989 -7.980 1.00 0.00 H new ATOM 399 N MET A 26 -9.550 -8.087 -11.919 1.00 0.00 N ATOM 400 CA MET A 26 -10.283 -9.247 -12.312 1.00 0.00 C ATOM 401 C MET A 26 -10.022 -10.324 -11.290 1.00 0.00 C ATOM 402 O MET A 26 -8.882 -10.805 -11.157 1.00 0.00 O ATOM 403 CB MET A 26 -9.806 -9.707 -13.688 1.00 0.00 C ATOM 404 CG MET A 26 -10.514 -10.930 -14.227 1.00 0.00 C ATOM 405 SD MET A 26 -9.817 -11.466 -15.795 1.00 0.00 S ATOM 406 CE MET A 26 -10.811 -12.911 -16.129 1.00 0.00 C ATOM 0 H MET A 26 -8.640 -8.008 -12.373 1.00 0.00 H new ATOM 0 HA MET A 26 -11.350 -9.030 -12.368 1.00 0.00 H new ATOM 0 HB2 MET A 26 -9.936 -8.888 -14.395 1.00 0.00 H new ATOM 0 HB3 MET A 26 -8.738 -9.916 -13.636 1.00 0.00 H new ATOM 0 HG2 MET A 26 -10.443 -11.740 -13.502 1.00 0.00 H new ATOM 0 HG3 MET A 26 -11.574 -10.709 -14.356 1.00 0.00 H new ATOM 0 HE1 MET A 26 -10.510 -13.347 -17.081 1.00 0.00 H new ATOM 0 HE2 MET A 26 -10.669 -13.642 -15.333 1.00 0.00 H new ATOM 0 HE3 MET A 26 -11.862 -12.627 -16.176 1.00 0.00 H new ATOM 416 N TYR A 27 -11.031 -10.660 -10.552 1.00 0.00 N ATOM 417 CA TYR A 27 -10.931 -11.626 -9.508 1.00 0.00 C ATOM 418 C TYR A 27 -11.856 -12.786 -9.785 1.00 0.00 C ATOM 419 O TYR A 27 -13.067 -12.617 -9.792 1.00 0.00 O ATOM 420 CB TYR A 27 -11.284 -10.975 -8.174 1.00 0.00 C ATOM 421 CG TYR A 27 -11.311 -11.947 -7.033 1.00 0.00 C ATOM 422 CD1 TYR A 27 -10.153 -12.553 -6.603 1.00 0.00 C ATOM 423 CD2 TYR A 27 -12.504 -12.269 -6.399 1.00 0.00 C ATOM 424 CE1 TYR A 27 -10.171 -13.457 -5.580 1.00 0.00 C ATOM 425 CE2 TYR A 27 -12.531 -13.173 -5.364 1.00 0.00 C ATOM 426 CZ TYR A 27 -11.361 -13.767 -4.961 1.00 0.00 C ATOM 427 OH TYR A 27 -11.379 -14.677 -3.935 1.00 0.00 O ATOM 0 H TYR A 27 -11.964 -10.263 -10.661 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.909 -12.001 -9.462 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.560 -10.190 -7.957 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.259 -10.495 -8.258 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.216 -12.310 -7.082 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -13.423 -11.803 -6.724 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -9.254 -13.928 -5.257 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -13.463 -13.413 -4.873 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.825 -14.348 -3.196 1.00 0.00 H new ATOM 437 N LYS A 28 -11.271 -13.949 -10.053 1.00 0.00 N ATOM 438 CA LYS A 28 -12.006 -15.193 -10.329 1.00 0.00 C ATOM 439 C LYS A 28 -12.991 -15.020 -11.475 1.00 0.00 C ATOM 440 O LYS A 28 -14.051 -15.641 -11.515 1.00 0.00 O ATOM 441 CB LYS A 28 -12.704 -15.734 -9.073 1.00 0.00 C ATOM 442 CG LYS A 28 -11.745 -16.189 -7.989 1.00 0.00 C ATOM 443 CD LYS A 28 -12.485 -16.801 -6.810 1.00 0.00 C ATOM 444 CE LYS A 28 -11.519 -17.289 -5.738 1.00 0.00 C ATOM 445 NZ LYS A 28 -10.609 -18.345 -6.227 1.00 0.00 N ATOM 0 H LYS A 28 -10.258 -14.063 -10.087 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.269 -15.935 -10.637 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.355 -14.959 -8.668 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -13.343 -16.571 -9.355 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -11.049 -16.919 -8.401 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.152 -15.341 -7.647 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.163 -16.063 -6.382 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.097 -17.634 -7.156 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.930 -16.447 -5.376 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.087 -17.669 -4.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.974 -18.640 -5.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.166 -19.162 -6.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.045 -17.977 -7.020 1.00 0.00 H new ATOM 459 N GLY A 29 -12.597 -14.221 -12.432 1.00 0.00 N ATOM 460 CA GLY A 29 -13.414 -13.992 -13.586 1.00 0.00 C ATOM 461 C GLY A 29 -14.311 -12.771 -13.477 1.00 0.00 C ATOM 462 O GLY A 29 -14.828 -12.301 -14.499 1.00 0.00 O ATOM 0 H GLY A 29 -11.710 -13.717 -12.431 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -12.770 -13.880 -14.458 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -14.034 -14.871 -13.759 1.00 0.00 H new ATOM 466 N GLN A 30 -14.499 -12.229 -12.289 1.00 0.00 N ATOM 467 CA GLN A 30 -15.329 -11.044 -12.167 1.00 0.00 C ATOM 468 C GLN A 30 -14.530 -9.841 -11.691 1.00 0.00 C ATOM 469 O GLN A 30 -13.691 -9.956 -10.800 1.00 0.00 O ATOM 470 CB GLN A 30 -16.606 -11.240 -11.305 1.00 0.00 C ATOM 471 CG GLN A 30 -16.402 -11.694 -9.859 1.00 0.00 C ATOM 472 CD GLN A 30 -16.267 -13.196 -9.706 1.00 0.00 C ATOM 473 OE1 GLN A 30 -16.830 -13.962 -10.481 1.00 0.00 O ATOM 474 NE2 GLN A 30 -15.560 -13.626 -8.702 1.00 0.00 N ATOM 0 H GLN A 30 -14.101 -12.577 -11.417 1.00 0.00 H new ATOM 0 HA GLN A 30 -15.684 -10.849 -13.179 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -17.153 -10.298 -11.291 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -17.243 -11.971 -11.803 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -15.508 -11.215 -9.460 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -17.243 -11.350 -9.257 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -15.105 -12.961 -8.077 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -15.461 -14.628 -8.540 1.00 0.00 H new ATOM 483 N PRO A 31 -14.729 -8.679 -12.325 1.00 0.00 N ATOM 484 CA PRO A 31 -14.068 -7.441 -11.921 1.00 0.00 C ATOM 485 C PRO A 31 -14.598 -6.955 -10.574 1.00 0.00 C ATOM 486 O PRO A 31 -15.799 -6.711 -10.418 1.00 0.00 O ATOM 487 CB PRO A 31 -14.446 -6.447 -13.028 1.00 0.00 C ATOM 488 CG PRO A 31 -15.687 -6.993 -13.638 1.00 0.00 C ATOM 489 CD PRO A 31 -15.610 -8.482 -13.497 1.00 0.00 C ATOM 0 HA PRO A 31 -12.991 -7.563 -11.802 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -14.614 -5.450 -12.621 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.650 -6.360 -13.767 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -16.571 -6.601 -13.136 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -15.763 -6.706 -14.687 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.595 -8.920 -13.336 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -15.196 -8.948 -14.391 1.00 0.00 H new ATOM 497 N MET A 32 -13.734 -6.850 -9.605 1.00 0.00 N ATOM 498 CA MET A 32 -14.138 -6.421 -8.316 1.00 0.00 C ATOM 499 C MET A 32 -13.180 -5.357 -7.801 1.00 0.00 C ATOM 500 O MET A 32 -11.964 -5.436 -8.024 1.00 0.00 O ATOM 501 CB MET A 32 -14.235 -7.625 -7.359 1.00 0.00 C ATOM 502 CG MET A 32 -14.879 -7.282 -6.038 1.00 0.00 C ATOM 503 SD MET A 32 -15.322 -8.727 -5.028 1.00 0.00 S ATOM 504 CE MET A 32 -13.716 -9.428 -4.673 1.00 0.00 C ATOM 0 H MET A 32 -12.740 -7.060 -9.694 1.00 0.00 H new ATOM 0 HA MET A 32 -15.130 -5.973 -8.374 1.00 0.00 H new ATOM 0 HB2 MET A 32 -14.807 -8.418 -7.840 1.00 0.00 H new ATOM 0 HB3 MET A 32 -13.235 -8.018 -7.177 1.00 0.00 H new ATOM 0 HG2 MET A 32 -14.199 -6.649 -5.468 1.00 0.00 H new ATOM 0 HG3 MET A 32 -15.778 -6.695 -6.226 1.00 0.00 H new ATOM 0 HE1 MET A 32 -13.840 -10.377 -4.152 1.00 0.00 H new ATOM 0 HE2 MET A 32 -13.177 -9.594 -5.606 1.00 0.00 H new ATOM 0 HE3 MET A 32 -13.150 -8.741 -4.044 1.00 0.00 H new ATOM 514 N THR A 33 -13.734 -4.348 -7.194 1.00 0.00 N ATOM 515 CA THR A 33 -12.988 -3.267 -6.622 1.00 0.00 C ATOM 516 C THR A 33 -12.454 -3.685 -5.247 1.00 0.00 C ATOM 517 O THR A 33 -13.185 -4.254 -4.446 1.00 0.00 O ATOM 518 CB THR A 33 -13.926 -2.068 -6.469 1.00 0.00 C ATOM 519 OG1 THR A 33 -14.637 -1.883 -7.704 1.00 0.00 O ATOM 520 CG2 THR A 33 -13.150 -0.813 -6.161 1.00 0.00 C ATOM 0 H THR A 33 -14.743 -4.253 -7.081 1.00 0.00 H new ATOM 0 HA THR A 33 -12.146 -3.006 -7.263 1.00 0.00 H new ATOM 0 HB THR A 33 -14.615 -2.261 -5.647 1.00 0.00 H new ATOM 0 HG1 THR A 33 -15.244 -1.118 -7.621 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.839 0.025 -6.057 1.00 0.00 H new ATOM 0 HG22 THR A 33 -12.597 -0.946 -5.231 1.00 0.00 H new ATOM 0 HG23 THR A 33 -12.451 -0.609 -6.972 1.00 0.00 H new ATOM 528 N PHE A 34 -11.197 -3.426 -5.002 1.00 0.00 N ATOM 529 CA PHE A 34 -10.534 -3.787 -3.762 1.00 0.00 C ATOM 530 C PHE A 34 -10.016 -2.564 -3.049 1.00 0.00 C ATOM 531 O PHE A 34 -9.521 -1.637 -3.688 1.00 0.00 O ATOM 532 CB PHE A 34 -9.336 -4.715 -4.032 1.00 0.00 C ATOM 533 CG PHE A 34 -9.668 -6.145 -4.341 1.00 0.00 C ATOM 534 CD1 PHE A 34 -10.362 -6.494 -5.480 1.00 0.00 C ATOM 535 CD2 PHE A 34 -9.253 -7.147 -3.489 1.00 0.00 C ATOM 536 CE1 PHE A 34 -10.642 -7.811 -5.759 1.00 0.00 C ATOM 537 CE2 PHE A 34 -9.530 -8.463 -3.761 1.00 0.00 C ATOM 538 CZ PHE A 34 -10.226 -8.798 -4.897 1.00 0.00 C ATOM 0 H PHE A 34 -10.588 -2.949 -5.667 1.00 0.00 H new ATOM 0 HA PHE A 34 -11.274 -4.295 -3.143 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.766 -4.307 -4.867 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -8.682 -4.695 -3.160 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -10.690 -5.723 -6.162 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.702 -6.892 -2.595 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -11.188 -8.070 -6.654 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.201 -9.236 -3.082 1.00 0.00 H new ATOM 0 HZ PHE A 34 -10.446 -9.833 -5.112 1.00 0.00 H new ATOM 548 N ARG A 35 -10.165 -2.558 -1.748 1.00 0.00 N ATOM 549 CA ARG A 35 -9.550 -1.574 -0.895 1.00 0.00 C ATOM 550 C ARG A 35 -9.229 -2.246 0.424 1.00 0.00 C ATOM 551 O ARG A 35 -10.139 -2.712 1.110 1.00 0.00 O ATOM 552 CB ARG A 35 -10.415 -0.326 -0.601 1.00 0.00 C ATOM 553 CG ARG A 35 -9.631 0.607 0.313 1.00 0.00 C ATOM 554 CD ARG A 35 -10.321 1.878 0.766 1.00 0.00 C ATOM 555 NE ARG A 35 -9.353 2.621 1.591 1.00 0.00 N ATOM 556 CZ ARG A 35 -9.492 3.797 2.205 1.00 0.00 C ATOM 557 NH1 ARG A 35 -10.656 4.457 2.199 1.00 0.00 N ATOM 558 NH2 ARG A 35 -8.430 4.300 2.833 1.00 0.00 N ATOM 0 H ARG A 35 -10.725 -3.247 -1.245 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.671 -1.211 -1.427 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -10.672 0.183 -1.530 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.352 -0.619 -0.128 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.342 0.045 1.201 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.711 0.887 -0.200 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.635 2.474 -0.091 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.219 1.647 1.339 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.445 2.171 1.710 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -11.464 4.062 1.717 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -10.736 5.355 2.676 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.548 3.788 2.833 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.499 5.197 3.313 1.00 0.00 H new ATOM 572 N LEU A 36 -7.976 -2.323 0.787 1.00 0.00 N ATOM 573 CA LEU A 36 -7.646 -2.911 2.059 1.00 0.00 C ATOM 574 C LEU A 36 -7.706 -1.839 3.127 1.00 0.00 C ATOM 575 O LEU A 36 -6.830 -0.998 3.217 1.00 0.00 O ATOM 576 CB LEU A 36 -6.277 -3.585 2.066 1.00 0.00 C ATOM 577 CG LEU A 36 -5.940 -4.338 3.363 1.00 0.00 C ATOM 578 CD1 LEU A 36 -6.844 -5.549 3.550 1.00 0.00 C ATOM 579 CD2 LEU A 36 -4.484 -4.736 3.409 1.00 0.00 C ATOM 0 H LEU A 36 -7.183 -1.995 0.235 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.376 -3.695 2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.227 -4.285 1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.513 -2.827 1.892 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.122 -3.655 4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.581 -6.060 4.476 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.883 -5.223 3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.716 -6.232 2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.281 -5.266 4.339 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.258 -5.386 2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.861 -3.843 3.357 1.00 0.00 H new ATOM 591 N LEU A 37 -8.730 -1.908 3.944 1.00 0.00 N ATOM 592 CA LEU A 37 -9.027 -0.901 4.971 1.00 0.00 C ATOM 593 C LEU A 37 -7.969 -0.768 6.091 1.00 0.00 C ATOM 594 O LEU A 37 -8.155 0.011 7.017 1.00 0.00 O ATOM 595 CB LEU A 37 -10.411 -1.163 5.566 1.00 0.00 C ATOM 596 CG LEU A 37 -11.582 -1.101 4.576 1.00 0.00 C ATOM 597 CD1 LEU A 37 -12.879 -1.450 5.268 1.00 0.00 C ATOM 598 CD2 LEU A 37 -11.683 0.275 3.931 1.00 0.00 C ATOM 0 H LEU A 37 -9.402 -2.675 3.924 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.004 0.059 4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.405 -2.148 6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.590 -0.436 6.358 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.395 -1.832 3.790 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.699 -1.401 4.551 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.814 -2.459 5.676 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.062 -0.743 6.077 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.521 0.290 3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.840 1.028 4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.760 0.493 3.393 1.00 0.00 H new ATOM 610 N LEU A 38 -6.873 -1.499 6.001 1.00 0.00 N ATOM 611 CA LEU A 38 -5.799 -1.360 6.984 1.00 0.00 C ATOM 612 C LEU A 38 -4.981 -0.111 6.678 1.00 0.00 C ATOM 613 O LEU A 38 -4.339 0.454 7.559 1.00 0.00 O ATOM 614 CB LEU A 38 -4.841 -2.596 7.041 1.00 0.00 C ATOM 615 CG LEU A 38 -5.326 -3.906 7.719 1.00 0.00 C ATOM 616 CD1 LEU A 38 -6.502 -4.492 7.033 1.00 0.00 C ATOM 617 CD2 LEU A 38 -4.212 -4.922 7.750 1.00 0.00 C ATOM 0 H LEU A 38 -6.698 -2.188 5.270 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.282 -1.284 7.958 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.563 -2.842 6.016 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.931 -2.281 7.551 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.624 -3.646 8.735 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.803 -5.406 7.544 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.326 -3.778 7.050 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.243 -4.723 6.000 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.566 -5.835 8.228 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.894 -5.145 6.731 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.369 -4.521 8.313 1.00 0.00 H new ATOM 629 N VAL A 39 -5.026 0.332 5.436 1.00 0.00 N ATOM 630 CA VAL A 39 -4.226 1.458 5.016 1.00 0.00 C ATOM 631 C VAL A 39 -5.084 2.632 4.583 1.00 0.00 C ATOM 632 O VAL A 39 -6.317 2.515 4.467 1.00 0.00 O ATOM 633 CB VAL A 39 -3.230 1.084 3.871 1.00 0.00 C ATOM 634 CG1 VAL A 39 -2.249 0.033 4.336 1.00 0.00 C ATOM 635 CG2 VAL A 39 -3.957 0.596 2.625 1.00 0.00 C ATOM 0 H VAL A 39 -5.609 -0.073 4.703 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.646 1.753 5.890 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.686 1.992 3.611 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.566 -0.212 3.523 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.681 0.415 5.184 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.791 -0.863 4.636 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.229 0.346 1.853 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.544 -0.289 2.870 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.619 1.381 2.259 1.00 0.00 H new ATOM 645 N ASP A 40 -4.447 3.768 4.429 1.00 0.00 N ATOM 646 CA ASP A 40 -5.091 4.944 3.893 1.00 0.00 C ATOM 647 C ASP A 40 -4.060 5.770 3.128 1.00 0.00 C ATOM 648 O ASP A 40 -3.130 6.364 3.714 1.00 0.00 O ATOM 649 CB ASP A 40 -5.763 5.777 4.999 1.00 0.00 C ATOM 650 CG ASP A 40 -6.645 6.896 4.458 1.00 0.00 C ATOM 651 OD1 ASP A 40 -7.771 6.608 3.990 1.00 0.00 O ATOM 652 OD2 ASP A 40 -6.240 8.081 4.520 1.00 0.00 O ATOM 0 H ASP A 40 -3.466 3.904 4.672 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.883 4.634 3.212 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.366 5.119 5.625 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.993 6.208 5.639 1.00 0.00 H new ATOM 657 N THR A 41 -4.189 5.736 1.846 1.00 0.00 N ATOM 658 CA THR A 41 -3.364 6.464 0.905 1.00 0.00 C ATOM 659 C THR A 41 -3.916 7.884 0.719 1.00 0.00 C ATOM 660 O THR A 41 -5.063 8.139 1.093 1.00 0.00 O ATOM 661 CB THR A 41 -3.370 5.716 -0.459 1.00 0.00 C ATOM 662 OG1 THR A 41 -4.712 5.367 -0.817 1.00 0.00 O ATOM 663 CG2 THR A 41 -2.531 4.455 -0.404 1.00 0.00 C ATOM 0 H THR A 41 -4.907 5.174 1.388 1.00 0.00 H new ATOM 0 HA THR A 41 -2.344 6.528 1.285 1.00 0.00 H new ATOM 0 HB THR A 41 -2.943 6.386 -1.205 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.944 5.791 -1.669 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.558 3.958 -1.374 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.501 4.714 -0.157 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.930 3.786 0.358 1.00 0.00 H new ATOM 671 N PRO A 42 -3.120 8.851 0.192 1.00 0.00 N ATOM 672 CA PRO A 42 -3.621 10.163 -0.070 1.00 0.00 C ATOM 673 C PRO A 42 -4.453 10.183 -1.352 1.00 0.00 C ATOM 674 O PRO A 42 -5.625 9.788 -1.307 1.00 0.00 O ATOM 675 CB PRO A 42 -2.369 11.064 -0.159 1.00 0.00 C ATOM 676 CG PRO A 42 -1.210 10.144 0.082 1.00 0.00 C ATOM 677 CD PRO A 42 -1.715 8.751 -0.164 1.00 0.00 C ATOM 0 HA PRO A 42 -4.296 10.515 0.710 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.296 11.543 -1.135 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.402 11.860 0.585 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.382 10.380 -0.586 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.837 10.248 1.101 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.581 8.450 -1.203 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.193 8.017 0.450 1.00 0.00 H new ATOM 910 N GLU A 57 0.323 10.511 -6.461 1.00 0.00 N ATOM 911 CA GLU A 57 1.382 9.750 -5.847 1.00 0.00 C ATOM 912 C GLU A 57 1.020 8.262 -5.673 1.00 0.00 C ATOM 913 O GLU A 57 1.475 7.418 -6.456 1.00 0.00 O ATOM 914 CB GLU A 57 1.929 10.430 -4.538 1.00 0.00 C ATOM 915 CG GLU A 57 1.007 10.461 -3.307 1.00 0.00 C ATOM 916 CD GLU A 57 -0.328 11.118 -3.542 1.00 0.00 C ATOM 917 OE1 GLU A 57 -0.442 12.345 -3.360 1.00 0.00 O ATOM 918 OE2 GLU A 57 -1.291 10.403 -3.916 1.00 0.00 O ATOM 0 HA GLU A 57 2.219 9.757 -6.545 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.849 9.919 -4.255 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.197 11.458 -4.782 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.840 9.439 -2.968 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.518 10.985 -2.499 1.00 0.00 H new ATOM 925 N ALA A 58 0.143 7.954 -4.717 1.00 0.00 N ATOM 926 CA ALA A 58 -0.205 6.595 -4.377 1.00 0.00 C ATOM 927 C ALA A 58 -0.891 5.910 -5.529 1.00 0.00 C ATOM 928 O ALA A 58 -0.650 4.736 -5.788 1.00 0.00 O ATOM 929 CB ALA A 58 -1.079 6.566 -3.136 1.00 0.00 C ATOM 0 H ALA A 58 -0.344 8.655 -4.158 1.00 0.00 H new ATOM 0 HA ALA A 58 0.715 6.051 -4.164 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.332 5.534 -2.893 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.540 7.013 -2.301 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.993 7.130 -3.322 1.00 0.00 H new ATOM 935 N SER A 59 -1.714 6.653 -6.234 1.00 0.00 N ATOM 936 CA SER A 59 -2.434 6.155 -7.373 1.00 0.00 C ATOM 937 C SER A 59 -1.501 5.584 -8.447 1.00 0.00 C ATOM 938 O SER A 59 -1.627 4.417 -8.830 1.00 0.00 O ATOM 939 CB SER A 59 -3.333 7.262 -7.910 1.00 0.00 C ATOM 940 OG SER A 59 -2.625 8.490 -7.976 1.00 0.00 O ATOM 0 H SER A 59 -1.901 7.634 -6.025 1.00 0.00 H new ATOM 0 HA SER A 59 -3.056 5.316 -7.062 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.699 6.993 -8.901 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.206 7.373 -7.267 1.00 0.00 H new ATOM 0 HG SER A 59 -3.216 9.190 -8.324 1.00 0.00 H new ATOM 946 N ALA A 60 -0.533 6.375 -8.858 1.00 0.00 N ATOM 947 CA ALA A 60 0.396 5.974 -9.895 1.00 0.00 C ATOM 948 C ALA A 60 1.407 4.956 -9.376 1.00 0.00 C ATOM 949 O ALA A 60 1.832 4.070 -10.104 1.00 0.00 O ATOM 950 CB ALA A 60 1.101 7.190 -10.459 1.00 0.00 C ATOM 0 H ALA A 60 -0.367 7.310 -8.485 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.172 5.493 -10.692 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.797 6.878 -11.238 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.365 7.873 -10.883 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.649 7.695 -9.663 1.00 0.00 H new ATOM 956 N PHE A 61 1.772 5.077 -8.119 1.00 0.00 N ATOM 957 CA PHE A 61 2.740 4.180 -7.500 1.00 0.00 C ATOM 958 C PHE A 61 2.175 2.757 -7.398 1.00 0.00 C ATOM 959 O PHE A 61 2.854 1.785 -7.756 1.00 0.00 O ATOM 960 CB PHE A 61 3.132 4.731 -6.127 1.00 0.00 C ATOM 961 CG PHE A 61 4.249 4.016 -5.423 1.00 0.00 C ATOM 962 CD1 PHE A 61 5.507 3.921 -6.000 1.00 0.00 C ATOM 963 CD2 PHE A 61 4.045 3.460 -4.174 1.00 0.00 C ATOM 964 CE1 PHE A 61 6.537 3.280 -5.343 1.00 0.00 C ATOM 965 CE2 PHE A 61 5.069 2.823 -3.510 1.00 0.00 C ATOM 966 CZ PHE A 61 6.318 2.730 -4.094 1.00 0.00 C ATOM 0 H PHE A 61 1.411 5.796 -7.493 1.00 0.00 H new ATOM 0 HA PHE A 61 3.634 4.125 -8.121 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.415 5.777 -6.245 1.00 0.00 H new ATOM 0 HB3 PHE A 61 2.252 4.709 -5.484 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.682 4.353 -6.974 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.070 3.526 -3.713 1.00 0.00 H new ATOM 0 HE1 PHE A 61 7.511 3.208 -5.803 1.00 0.00 H new ATOM 0 HE2 PHE A 61 4.896 2.396 -2.533 1.00 0.00 H new ATOM 0 HZ PHE A 61 7.122 2.228 -3.575 1.00 0.00 H new ATOM 976 N THR A 62 0.929 2.650 -6.952 1.00 0.00 N ATOM 977 CA THR A 62 0.248 1.368 -6.843 1.00 0.00 C ATOM 978 C THR A 62 0.082 0.759 -8.236 1.00 0.00 C ATOM 979 O THR A 62 0.398 -0.415 -8.462 1.00 0.00 O ATOM 980 CB THR A 62 -1.148 1.556 -6.207 1.00 0.00 C ATOM 981 OG1 THR A 62 -1.011 2.254 -4.969 1.00 0.00 O ATOM 982 CG2 THR A 62 -1.824 0.220 -5.954 1.00 0.00 C ATOM 0 H THR A 62 0.365 3.447 -6.657 1.00 0.00 H new ATOM 0 HA THR A 62 0.844 0.706 -6.214 1.00 0.00 H new ATOM 0 HB THR A 62 -1.765 2.127 -6.900 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.851 3.205 -5.145 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.804 0.387 -5.506 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.942 -0.312 -6.898 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.212 -0.375 -5.276 1.00 0.00 H new ATOM 990 N LYS A 63 -0.367 1.600 -9.165 1.00 0.00 N ATOM 991 CA LYS A 63 -0.596 1.229 -10.550 1.00 0.00 C ATOM 992 C LYS A 63 0.679 0.643 -11.161 1.00 0.00 C ATOM 993 O LYS A 63 0.677 -0.457 -11.694 1.00 0.00 O ATOM 994 CB LYS A 63 -1.028 2.490 -11.313 1.00 0.00 C ATOM 995 CG LYS A 63 -1.357 2.293 -12.774 1.00 0.00 C ATOM 996 CD LYS A 63 -1.773 3.612 -13.411 1.00 0.00 C ATOM 997 CE LYS A 63 -2.091 3.455 -14.890 1.00 0.00 C ATOM 998 NZ LYS A 63 -0.915 3.031 -15.680 1.00 0.00 N ATOM 0 H LYS A 63 -0.585 2.577 -8.967 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.374 0.468 -10.613 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.902 2.911 -10.816 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.231 3.230 -11.236 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.490 1.888 -13.296 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.161 1.564 -12.876 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.647 4.006 -12.892 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.973 4.342 -13.288 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.889 2.723 -15.011 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.465 4.401 -15.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.192 2.906 -16.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.174 3.757 -15.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.551 2.131 -15.306 1.00 0.00 H new ATOM 1012 N LYS A 64 1.755 1.370 -10.997 1.00 0.00 N ATOM 1013 CA LYS A 64 3.050 1.029 -11.538 1.00 0.00 C ATOM 1014 C LYS A 64 3.516 -0.360 -11.104 1.00 0.00 C ATOM 1015 O LYS A 64 3.832 -1.199 -11.943 1.00 0.00 O ATOM 1016 CB LYS A 64 4.040 2.097 -11.099 1.00 0.00 C ATOM 1017 CG LYS A 64 5.430 1.991 -11.675 1.00 0.00 C ATOM 1018 CD LYS A 64 6.376 3.078 -11.126 1.00 0.00 C ATOM 1019 CE LYS A 64 6.044 4.522 -11.591 1.00 0.00 C ATOM 1020 NZ LYS A 64 4.845 5.131 -10.942 1.00 0.00 N ATOM 0 H LYS A 64 1.756 2.242 -10.468 1.00 0.00 H new ATOM 0 HA LYS A 64 2.982 0.995 -12.625 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.632 3.072 -11.364 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.116 2.068 -10.012 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.841 1.007 -11.448 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.378 2.072 -12.761 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.350 3.047 -10.037 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.396 2.839 -11.428 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.907 5.158 -11.396 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.891 4.514 -12.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.079 6.089 -10.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.067 5.183 -11.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.553 4.546 -10.133 1.00 0.00 H new ATOM 1034 N MET A 65 3.492 -0.620 -9.813 1.00 0.00 N ATOM 1035 CA MET A 65 4.022 -1.884 -9.292 1.00 0.00 C ATOM 1036 C MET A 65 3.191 -3.082 -9.706 1.00 0.00 C ATOM 1037 O MET A 65 3.739 -4.157 -9.986 1.00 0.00 O ATOM 1038 CB MET A 65 4.220 -1.858 -7.772 1.00 0.00 C ATOM 1039 CG MET A 65 2.947 -1.708 -6.950 1.00 0.00 C ATOM 1040 SD MET A 65 3.254 -1.722 -5.176 1.00 0.00 S ATOM 1041 CE MET A 65 4.286 -0.277 -5.010 1.00 0.00 C ATOM 0 H MET A 65 3.118 0.012 -9.105 1.00 0.00 H new ATOM 0 HA MET A 65 5.005 -1.996 -9.749 1.00 0.00 H new ATOM 0 HB2 MET A 65 4.720 -2.779 -7.472 1.00 0.00 H new ATOM 0 HB3 MET A 65 4.891 -1.036 -7.524 1.00 0.00 H new ATOM 0 HG2 MET A 65 2.453 -0.775 -7.221 1.00 0.00 H new ATOM 0 HG3 MET A 65 2.261 -2.517 -7.201 1.00 0.00 H new ATOM 0 HE1 MET A 65 4.274 0.062 -3.974 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.308 -0.524 -5.299 1.00 0.00 H new ATOM 0 HE3 MET A 65 3.908 0.516 -5.656 1.00 0.00 H new ATOM 1051 N VAL A 66 1.888 -2.906 -9.794 1.00 0.00 N ATOM 1052 CA VAL A 66 1.034 -4.020 -10.159 1.00 0.00 C ATOM 1053 C VAL A 66 1.082 -4.286 -11.666 1.00 0.00 C ATOM 1054 O VAL A 66 0.918 -5.413 -12.095 1.00 0.00 O ATOM 1055 CB VAL A 66 -0.439 -3.896 -9.655 1.00 0.00 C ATOM 1056 CG1 VAL A 66 -0.487 -3.869 -8.137 1.00 0.00 C ATOM 1057 CG2 VAL A 66 -1.117 -2.669 -10.219 1.00 0.00 C ATOM 0 H VAL A 66 1.405 -2.024 -9.622 1.00 0.00 H new ATOM 0 HA VAL A 66 1.447 -4.882 -9.635 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.980 -4.773 -10.010 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.522 -3.782 -7.807 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.057 -4.790 -7.743 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.083 -3.016 -7.770 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.140 -2.615 -9.847 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.571 -1.777 -9.910 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.129 -2.728 -11.307 1.00 0.00 H new ATOM 1067 N GLU A 67 1.341 -3.249 -12.467 1.00 0.00 N ATOM 1068 CA GLU A 67 1.493 -3.439 -13.910 1.00 0.00 C ATOM 1069 C GLU A 67 2.830 -4.093 -14.223 1.00 0.00 C ATOM 1070 O GLU A 67 2.978 -4.799 -15.230 1.00 0.00 O ATOM 1071 CB GLU A 67 1.394 -2.129 -14.669 1.00 0.00 C ATOM 1072 CG GLU A 67 0.053 -1.458 -14.577 1.00 0.00 C ATOM 1073 CD GLU A 67 0.003 -0.218 -15.409 1.00 0.00 C ATOM 1074 OE1 GLU A 67 0.386 0.851 -14.934 1.00 0.00 O ATOM 1075 OE2 GLU A 67 -0.425 -0.285 -16.579 1.00 0.00 O ATOM 0 H GLU A 67 1.448 -2.286 -12.148 1.00 0.00 H new ATOM 0 HA GLU A 67 0.677 -4.086 -14.232 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.155 -1.446 -14.291 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.623 -2.313 -15.719 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.724 -2.149 -14.905 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.160 -1.209 -13.537 1.00 0.00 H new ATOM 1082 N ASN A 68 3.803 -3.841 -13.360 1.00 0.00 N ATOM 1083 CA ASN A 68 5.139 -4.422 -13.500 1.00 0.00 C ATOM 1084 C ASN A 68 5.166 -5.832 -12.955 1.00 0.00 C ATOM 1085 O ASN A 68 6.131 -6.579 -13.160 1.00 0.00 O ATOM 1086 CB ASN A 68 6.208 -3.579 -12.775 1.00 0.00 C ATOM 1087 CG ASN A 68 6.454 -2.219 -13.404 1.00 0.00 C ATOM 1088 OD1 ASN A 68 6.274 -2.029 -14.607 1.00 0.00 O ATOM 1089 ND2 ASN A 68 6.884 -1.268 -12.616 1.00 0.00 N ATOM 0 H ASN A 68 3.695 -3.234 -12.548 1.00 0.00 H new ATOM 0 HA ASN A 68 5.371 -4.435 -14.565 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.903 -3.438 -11.738 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.145 -4.135 -12.759 1.00 0.00 H new ATOM 0 HD21 ASN A 68 7.079 -0.341 -12.995 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.024 -1.453 -11.623 1.00 0.00 H new ATOM 1096 N ALA A 69 4.120 -6.183 -12.252 1.00 0.00 N ATOM 1097 CA ALA A 69 3.995 -7.472 -11.641 1.00 0.00 C ATOM 1098 C ALA A 69 3.702 -8.550 -12.654 1.00 0.00 C ATOM 1099 O ALA A 69 2.849 -8.395 -13.524 1.00 0.00 O ATOM 1100 CB ALA A 69 2.920 -7.456 -10.586 1.00 0.00 C ATOM 0 H ALA A 69 3.322 -5.569 -12.088 1.00 0.00 H new ATOM 0 HA ALA A 69 4.954 -7.701 -11.176 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.840 -8.444 -10.133 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.174 -6.725 -9.819 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.967 -7.187 -11.042 1.00 0.00 H new ATOM 1106 N LYS A 70 4.433 -9.621 -12.549 1.00 0.00 N ATOM 1107 CA LYS A 70 4.231 -10.781 -13.368 1.00 0.00 C ATOM 1108 C LYS A 70 3.059 -11.553 -12.786 1.00 0.00 C ATOM 1109 O LYS A 70 2.125 -11.931 -13.483 1.00 0.00 O ATOM 1110 CB LYS A 70 5.491 -11.637 -13.318 1.00 0.00 C ATOM 1111 CG LYS A 70 6.770 -10.880 -13.651 1.00 0.00 C ATOM 1112 CD LYS A 70 6.822 -10.417 -15.095 1.00 0.00 C ATOM 1113 CE LYS A 70 8.080 -9.604 -15.361 1.00 0.00 C ATOM 1114 NZ LYS A 70 9.326 -10.365 -15.085 1.00 0.00 N ATOM 0 H LYS A 70 5.198 -9.715 -11.881 1.00 0.00 H new ATOM 0 HA LYS A 70 4.025 -10.507 -14.403 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.585 -12.068 -12.321 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.381 -12.468 -14.015 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.856 -10.015 -12.994 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.629 -11.520 -13.449 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.796 -11.281 -15.759 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.941 -9.815 -15.320 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.082 -9.276 -16.401 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.064 -8.706 -14.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.142 -9.847 -15.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.442 -10.480 -14.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.267 -11.301 -15.534 1.00 0.00 H new ATOM 1128 N LYS A 71 3.115 -11.750 -11.495 1.00 0.00 N ATOM 1129 CA LYS A 71 2.075 -12.430 -10.774 1.00 0.00 C ATOM 1130 C LYS A 71 1.421 -11.486 -9.771 1.00 0.00 C ATOM 1131 O LYS A 71 2.096 -10.872 -8.944 1.00 0.00 O ATOM 1132 CB LYS A 71 2.624 -13.691 -10.070 1.00 0.00 C ATOM 1133 CG LYS A 71 3.826 -13.440 -9.166 1.00 0.00 C ATOM 1134 CD LYS A 71 4.281 -14.704 -8.463 1.00 0.00 C ATOM 1135 CE LYS A 71 5.523 -14.453 -7.607 1.00 0.00 C ATOM 1136 NZ LYS A 71 6.720 -14.125 -8.422 1.00 0.00 N ATOM 0 H LYS A 71 3.891 -11.440 -10.911 1.00 0.00 H new ATOM 0 HA LYS A 71 1.316 -12.752 -11.487 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.826 -14.136 -9.476 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.903 -14.422 -10.829 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.648 -13.039 -9.759 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.570 -12.684 -8.424 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.475 -15.082 -7.834 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.497 -15.475 -9.202 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.324 -13.635 -6.915 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.729 -15.337 -7.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.577 -14.246 -7.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.764 -14.759 -9.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.659 -13.139 -8.748 1.00 0.00 H new ATOM 1150 N ILE A 72 0.140 -11.324 -9.890 1.00 0.00 N ATOM 1151 CA ILE A 72 -0.626 -10.537 -8.961 1.00 0.00 C ATOM 1152 C ILE A 72 -1.467 -11.489 -8.128 1.00 0.00 C ATOM 1153 O ILE A 72 -2.175 -12.359 -8.679 1.00 0.00 O ATOM 1154 CB ILE A 72 -1.553 -9.539 -9.698 1.00 0.00 C ATOM 1155 CG1 ILE A 72 -0.718 -8.670 -10.643 1.00 0.00 C ATOM 1156 CG2 ILE A 72 -2.315 -8.665 -8.688 1.00 0.00 C ATOM 1157 CD1 ILE A 72 -1.509 -7.631 -11.406 1.00 0.00 C ATOM 0 H ILE A 72 -0.413 -11.737 -10.641 1.00 0.00 H new ATOM 0 HA ILE A 72 0.052 -9.958 -8.334 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.287 -10.095 -10.282 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.055 -8.166 -10.064 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.210 -9.318 -11.357 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.961 -7.970 -9.223 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.921 -9.300 -8.042 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.603 -8.105 -8.082 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.837 -7.063 -12.050 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.265 -8.125 -12.016 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.996 -6.955 -10.703 1.00 0.00 H new ATOM 1169 N GLU A 73 -1.364 -11.380 -6.838 1.00 0.00 N ATOM 1170 CA GLU A 73 -2.103 -12.241 -5.948 1.00 0.00 C ATOM 1171 C GLU A 73 -2.834 -11.402 -4.930 1.00 0.00 C ATOM 1172 O GLU A 73 -2.313 -10.379 -4.478 1.00 0.00 O ATOM 1173 CB GLU A 73 -1.166 -13.180 -5.193 1.00 0.00 C ATOM 1174 CG GLU A 73 -0.231 -14.001 -6.056 1.00 0.00 C ATOM 1175 CD GLU A 73 0.570 -14.978 -5.237 1.00 0.00 C ATOM 1176 OE1 GLU A 73 1.354 -14.546 -4.360 1.00 0.00 O ATOM 1177 OE2 GLU A 73 0.405 -16.200 -5.431 1.00 0.00 O ATOM 0 H GLU A 73 -0.770 -10.697 -6.369 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.800 -12.826 -6.548 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.567 -12.588 -4.501 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.769 -13.861 -4.592 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.809 -14.542 -6.805 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.445 -13.337 -6.594 1.00 0.00 H new ATOM 1184 N VAL A 74 -4.016 -11.811 -4.578 1.00 0.00 N ATOM 1185 CA VAL A 74 -4.763 -11.151 -3.541 1.00 0.00 C ATOM 1186 C VAL A 74 -4.895 -12.104 -2.347 1.00 0.00 C ATOM 1187 O VAL A 74 -5.430 -13.207 -2.469 1.00 0.00 O ATOM 1188 CB VAL A 74 -6.166 -10.637 -4.033 1.00 0.00 C ATOM 1189 CG1 VAL A 74 -6.010 -9.617 -5.131 1.00 0.00 C ATOM 1190 CG2 VAL A 74 -7.040 -11.757 -4.540 1.00 0.00 C ATOM 0 H VAL A 74 -4.492 -12.609 -4.998 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.219 -10.256 -3.238 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.646 -10.184 -3.165 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.994 -9.277 -5.454 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.436 -8.768 -4.760 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.487 -10.067 -5.974 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.997 -11.352 -4.868 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.549 -12.251 -5.378 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.207 -12.479 -3.741 1.00 0.00 H new ATOM 1200 N GLU A 75 -4.340 -11.730 -1.235 1.00 0.00 N ATOM 1201 CA GLU A 75 -4.374 -12.566 -0.066 1.00 0.00 C ATOM 1202 C GLU A 75 -5.469 -12.101 0.872 1.00 0.00 C ATOM 1203 O GLU A 75 -5.419 -11.004 1.399 1.00 0.00 O ATOM 1204 CB GLU A 75 -2.999 -12.572 0.616 1.00 0.00 C ATOM 1205 CG GLU A 75 -2.892 -13.415 1.875 1.00 0.00 C ATOM 1206 CD GLU A 75 -1.495 -13.396 2.478 1.00 0.00 C ATOM 1207 OE1 GLU A 75 -1.090 -12.372 3.053 1.00 0.00 O ATOM 1208 OE2 GLU A 75 -0.774 -14.408 2.384 1.00 0.00 O ATOM 0 H GLU A 75 -3.853 -10.843 -1.108 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.602 -13.592 -0.356 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.260 -12.928 -0.101 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.733 -11.545 0.865 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.607 -13.051 2.613 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.169 -14.443 1.643 1.00 0.00 H new ATOM 1215 N PHE A 76 -6.473 -12.913 1.033 1.00 0.00 N ATOM 1216 CA PHE A 76 -7.573 -12.576 1.905 1.00 0.00 C ATOM 1217 C PHE A 76 -7.283 -13.040 3.296 1.00 0.00 C ATOM 1218 O PHE A 76 -6.543 -14.030 3.495 1.00 0.00 O ATOM 1219 CB PHE A 76 -8.881 -13.177 1.410 1.00 0.00 C ATOM 1220 CG PHE A 76 -9.307 -12.610 0.108 1.00 0.00 C ATOM 1221 CD1 PHE A 76 -9.924 -11.376 0.052 1.00 0.00 C ATOM 1222 CD2 PHE A 76 -9.077 -13.293 -1.059 1.00 0.00 C ATOM 1223 CE1 PHE A 76 -10.306 -10.837 -1.153 1.00 0.00 C ATOM 1224 CE2 PHE A 76 -9.453 -12.760 -2.260 1.00 0.00 C ATOM 1225 CZ PHE A 76 -10.070 -11.533 -2.312 1.00 0.00 C ATOM 0 H PHE A 76 -6.558 -13.819 0.572 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.685 -11.492 1.903 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.768 -14.257 1.313 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.661 -13.003 2.151 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.108 -10.829 0.965 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.595 -14.259 -1.029 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -10.789 -9.872 -1.188 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -9.264 -13.306 -3.173 1.00 0.00 H new ATOM 0 HZ PHE A 76 -10.369 -11.117 -3.263 1.00 0.00 H new ATOM 1235 N ASP A 77 -7.864 -12.358 4.247 1.00 0.00 N ATOM 1236 CA ASP A 77 -7.634 -12.645 5.637 1.00 0.00 C ATOM 1237 C ASP A 77 -8.622 -13.746 6.101 1.00 0.00 C ATOM 1238 O ASP A 77 -9.263 -14.409 5.266 1.00 0.00 O ATOM 1239 CB ASP A 77 -7.783 -11.344 6.461 1.00 0.00 C ATOM 1240 CG ASP A 77 -7.070 -11.374 7.809 1.00 0.00 C ATOM 1241 OD1 ASP A 77 -7.564 -12.017 8.746 1.00 0.00 O ATOM 1242 OD2 ASP A 77 -6.002 -10.733 7.951 1.00 0.00 O ATOM 0 H ASP A 77 -8.511 -11.587 4.079 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.622 -13.019 5.790 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.395 -10.510 5.876 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.843 -11.152 6.627 1.00 0.00 H new ATOM 1247 N LYS A 78 -8.759 -13.920 7.391 1.00 0.00 N ATOM 1248 CA LYS A 78 -9.552 -14.989 7.972 1.00 0.00 C ATOM 1249 C LYS A 78 -11.006 -14.551 8.164 1.00 0.00 C ATOM 1250 O LYS A 78 -11.910 -15.383 8.317 1.00 0.00 O ATOM 1251 CB LYS A 78 -8.941 -15.364 9.332 1.00 0.00 C ATOM 1252 CG LYS A 78 -9.173 -14.322 10.436 1.00 0.00 C ATOM 1253 CD LYS A 78 -8.304 -14.573 11.654 1.00 0.00 C ATOM 1254 CE LYS A 78 -6.854 -14.194 11.378 1.00 0.00 C ATOM 1255 NZ LYS A 78 -6.706 -12.740 11.125 1.00 0.00 N ATOM 0 H LYS A 78 -8.318 -13.316 8.084 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.545 -15.847 7.300 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.359 -16.318 9.655 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.868 -15.512 9.207 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.966 -13.327 10.043 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.222 -14.336 10.731 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.680 -13.996 12.499 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.361 -15.624 11.936 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.235 -14.480 12.228 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.490 -14.752 10.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.706 -12.520 10.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.277 -12.472 10.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.030 -12.208 11.958 1.00 0.00 H new ATOM 1269 N GLY A 79 -11.228 -13.255 8.145 1.00 0.00 N ATOM 1270 CA GLY A 79 -12.537 -12.734 8.408 1.00 0.00 C ATOM 1271 C GLY A 79 -13.383 -12.610 7.167 1.00 0.00 C ATOM 1272 O GLY A 79 -13.991 -13.592 6.701 1.00 0.00 O ATOM 0 H GLY A 79 -10.517 -12.550 7.950 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.043 -13.383 9.123 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.444 -11.754 8.877 1.00 0.00 H new ATOM 1276 N GLN A 80 -13.409 -11.436 6.624 1.00 0.00 N ATOM 1277 CA GLN A 80 -14.226 -11.145 5.483 1.00 0.00 C ATOM 1278 C GLN A 80 -13.423 -11.085 4.230 1.00 0.00 C ATOM 1279 O GLN A 80 -12.200 -10.985 4.257 1.00 0.00 O ATOM 1280 CB GLN A 80 -14.990 -9.845 5.670 1.00 0.00 C ATOM 1281 CG GLN A 80 -16.081 -9.948 6.693 1.00 0.00 C ATOM 1282 CD GLN A 80 -16.875 -8.674 6.875 1.00 0.00 C ATOM 1283 OE1 GLN A 80 -17.379 -8.405 7.963 1.00 0.00 O ATOM 1284 NE2 GLN A 80 -17.034 -7.898 5.829 1.00 0.00 N ATOM 0 H GLN A 80 -12.861 -10.644 6.960 1.00 0.00 H new ATOM 0 HA GLN A 80 -14.941 -11.962 5.391 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -14.294 -9.061 5.967 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -15.422 -9.543 4.716 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -16.761 -10.750 6.405 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -15.642 -10.231 7.650 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -16.603 -8.148 4.939 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -17.588 -7.045 5.906 1.00 0.00 H new ATOM 1293 N ARG A 81 -14.109 -11.142 3.146 1.00 0.00 N ATOM 1294 CA ARG A 81 -13.492 -11.055 1.866 1.00 0.00 C ATOM 1295 C ARG A 81 -13.799 -9.702 1.232 1.00 0.00 C ATOM 1296 O ARG A 81 -13.011 -9.186 0.431 1.00 0.00 O ATOM 1297 CB ARG A 81 -13.906 -12.252 0.981 1.00 0.00 C ATOM 1298 CG ARG A 81 -13.293 -12.245 -0.398 1.00 0.00 C ATOM 1299 CD ARG A 81 -13.271 -13.632 -1.011 1.00 0.00 C ATOM 1300 NE ARG A 81 -14.599 -14.202 -1.245 1.00 0.00 N ATOM 1301 CZ ARG A 81 -14.832 -15.511 -1.428 1.00 0.00 C ATOM 1302 NH1 ARG A 81 -13.854 -16.396 -1.229 1.00 0.00 N ATOM 1303 NH2 ARG A 81 -16.048 -15.935 -1.769 1.00 0.00 N ATOM 0 H ARG A 81 -15.123 -11.251 3.119 1.00 0.00 H new ATOM 0 HA ARG A 81 -12.409 -11.116 1.973 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.626 -13.176 1.486 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -14.992 -12.259 0.883 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -13.857 -11.571 -1.043 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -12.276 -11.856 -0.342 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -12.733 -13.591 -1.958 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -12.711 -14.299 -0.355 1.00 0.00 H new ATOM 0 HE ARG A 81 -15.396 -13.566 -1.271 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -12.930 -16.078 -0.938 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -14.031 -17.391 -1.368 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -16.806 -15.264 -1.892 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -16.221 -16.931 -1.907 1.00 0.00 H new ATOM 1317 N THR A 82 -14.915 -9.103 1.620 1.00 0.00 N ATOM 1318 CA THR A 82 -15.297 -7.806 1.103 1.00 0.00 C ATOM 1319 C THR A 82 -15.834 -6.901 2.205 1.00 0.00 C ATOM 1320 O THR A 82 -16.344 -7.377 3.217 1.00 0.00 O ATOM 1321 CB THR A 82 -16.381 -7.912 -0.008 1.00 0.00 C ATOM 1322 OG1 THR A 82 -17.509 -8.685 0.458 1.00 0.00 O ATOM 1323 CG2 THR A 82 -15.832 -8.523 -1.292 1.00 0.00 C ATOM 0 H THR A 82 -15.571 -9.499 2.293 1.00 0.00 H new ATOM 0 HA THR A 82 -14.389 -7.378 0.679 1.00 0.00 H new ATOM 0 HB THR A 82 -16.704 -6.896 -0.235 1.00 0.00 H new ATOM 0 HG1 THR A 82 -18.183 -8.741 -0.252 1.00 0.00 H new ATOM 0 HG21 THR A 82 -16.625 -8.576 -2.038 1.00 0.00 H new ATOM 0 HG22 THR A 82 -15.019 -7.904 -1.671 1.00 0.00 H new ATOM 0 HG23 THR A 82 -15.459 -9.526 -1.087 1.00 0.00 H new ATOM 1331 N ASP A 83 -15.662 -5.622 2.002 1.00 0.00 N ATOM 1332 CA ASP A 83 -16.247 -4.567 2.822 1.00 0.00 C ATOM 1333 C ASP A 83 -17.727 -4.417 2.440 1.00 0.00 C ATOM 1334 O ASP A 83 -18.132 -4.920 1.387 1.00 0.00 O ATOM 1335 CB ASP A 83 -15.485 -3.252 2.545 1.00 0.00 C ATOM 1336 CG ASP A 83 -16.150 -2.032 3.126 1.00 0.00 C ATOM 1337 OD1 ASP A 83 -16.254 -1.924 4.346 1.00 0.00 O ATOM 1338 OD2 ASP A 83 -16.654 -1.196 2.352 1.00 0.00 O ATOM 0 H ASP A 83 -15.092 -5.262 1.237 1.00 0.00 H new ATOM 0 HA ASP A 83 -16.173 -4.809 3.882 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -14.477 -3.334 2.952 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -15.384 -3.121 1.468 1.00 0.00 H new ATOM 1343 N LYS A 84 -18.518 -3.715 3.260 1.00 0.00 N ATOM 1344 CA LYS A 84 -19.952 -3.517 3.008 1.00 0.00 C ATOM 1345 C LYS A 84 -20.209 -2.817 1.654 1.00 0.00 C ATOM 1346 O LYS A 84 -21.235 -3.051 1.014 1.00 0.00 O ATOM 1347 CB LYS A 84 -20.611 -2.754 4.176 1.00 0.00 C ATOM 1348 CG LYS A 84 -22.114 -2.524 4.029 1.00 0.00 C ATOM 1349 CD LYS A 84 -22.698 -1.854 5.267 1.00 0.00 C ATOM 1350 CE LYS A 84 -24.185 -1.547 5.106 1.00 0.00 C ATOM 1351 NZ LYS A 84 -24.999 -2.763 4.861 1.00 0.00 N ATOM 0 H LYS A 84 -18.184 -3.269 4.115 1.00 0.00 H new ATOM 0 HA LYS A 84 -20.415 -4.501 2.944 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -20.431 -3.306 5.098 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -20.119 -1.787 4.282 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -22.305 -1.903 3.153 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -22.615 -3.477 3.859 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -22.554 -2.502 6.132 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -22.157 -0.929 5.468 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -24.548 -1.047 6.004 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -24.320 -0.852 4.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -26.009 -2.514 4.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -24.756 -3.162 3.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -24.804 -3.466 5.602 1.00 0.00 H new ATOM 1365 N TYR A 85 -19.264 -1.993 1.201 1.00 0.00 N ATOM 1366 CA TYR A 85 -19.380 -1.361 -0.123 1.00 0.00 C ATOM 1367 C TYR A 85 -19.133 -2.359 -1.256 1.00 0.00 C ATOM 1368 O TYR A 85 -19.433 -2.082 -2.422 1.00 0.00 O ATOM 1369 CB TYR A 85 -18.416 -0.189 -0.288 1.00 0.00 C ATOM 1370 CG TYR A 85 -18.883 1.129 0.274 1.00 0.00 C ATOM 1371 CD1 TYR A 85 -19.643 1.984 -0.507 1.00 0.00 C ATOM 1372 CD2 TYR A 85 -18.533 1.545 1.547 1.00 0.00 C ATOM 1373 CE1 TYR A 85 -20.048 3.209 -0.037 1.00 0.00 C ATOM 1374 CE2 TYR A 85 -18.926 2.783 2.026 1.00 0.00 C ATOM 1375 CZ TYR A 85 -19.685 3.608 1.225 1.00 0.00 C ATOM 1376 OH TYR A 85 -20.067 4.852 1.677 1.00 0.00 O ATOM 0 H TYR A 85 -18.420 -1.747 1.718 1.00 0.00 H new ATOM 0 HA TYR A 85 -20.404 -0.992 -0.183 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -17.471 -0.451 0.188 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -18.212 -0.058 -1.351 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -19.923 1.681 -1.505 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -17.944 0.894 2.176 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -20.650 3.856 -0.658 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -18.640 3.099 3.018 1.00 0.00 H new ATOM 0 HH TYR A 85 -19.734 4.985 2.589 1.00 0.00 H new ATOM 1386 N GLY A 86 -18.610 -3.513 -0.918 1.00 0.00 N ATOM 1387 CA GLY A 86 -18.267 -4.480 -1.920 1.00 0.00 C ATOM 1388 C GLY A 86 -16.850 -4.273 -2.392 1.00 0.00 C ATOM 1389 O GLY A 86 -16.538 -4.434 -3.571 1.00 0.00 O ATOM 0 H GLY A 86 -18.415 -3.800 0.041 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -18.378 -5.486 -1.516 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -18.953 -4.397 -2.763 1.00 0.00 H new ATOM 1393 N ARG A 87 -16.005 -3.843 -1.487 1.00 0.00 N ATOM 1394 CA ARG A 87 -14.597 -3.642 -1.777 1.00 0.00 C ATOM 1395 C ARG A 87 -13.851 -4.843 -1.237 1.00 0.00 C ATOM 1396 O ARG A 87 -14.046 -5.197 -0.089 1.00 0.00 O ATOM 1397 CB ARG A 87 -14.058 -2.380 -1.079 1.00 0.00 C ATOM 1398 CG ARG A 87 -14.856 -1.077 -1.271 1.00 0.00 C ATOM 1399 CD ARG A 87 -14.907 -0.565 -2.717 1.00 0.00 C ATOM 1400 NE ARG A 87 -15.777 -1.366 -3.606 1.00 0.00 N ATOM 1401 CZ ARG A 87 -16.750 -0.854 -4.394 1.00 0.00 C ATOM 1402 NH1 ARG A 87 -16.950 0.471 -4.459 1.00 0.00 N ATOM 1403 NH2 ARG A 87 -17.491 -1.667 -5.141 1.00 0.00 N ATOM 0 H ARG A 87 -16.269 -3.621 -0.527 1.00 0.00 H new ATOM 0 HA ARG A 87 -14.462 -3.522 -2.852 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -13.997 -2.585 -0.010 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -13.040 -2.208 -1.430 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -15.876 -1.236 -0.920 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.419 -0.303 -0.641 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -15.258 0.467 -2.715 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -13.896 -0.557 -3.125 1.00 0.00 H new ATOM 0 HE ARG A 87 -15.633 -2.376 -3.626 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -16.366 1.102 -3.911 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -17.686 0.847 -5.056 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -17.325 -2.673 -5.119 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -18.226 -1.285 -5.736 1.00 0.00 H new ATOM 1417 N GLY A 88 -13.057 -5.480 -2.056 1.00 0.00 N ATOM 1418 CA GLY A 88 -12.297 -6.630 -1.614 1.00 0.00 C ATOM 1419 C GLY A 88 -11.272 -6.253 -0.565 1.00 0.00 C ATOM 1420 O GLY A 88 -10.602 -5.222 -0.693 1.00 0.00 O ATOM 0 H GLY A 88 -12.916 -5.226 -3.034 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.975 -7.380 -1.207 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -11.794 -7.084 -2.468 1.00 0.00 H new ATOM 1424 N LEU A 89 -11.162 -7.062 0.459 1.00 0.00 N ATOM 1425 CA LEU A 89 -10.248 -6.811 1.540 1.00 0.00 C ATOM 1426 C LEU A 89 -9.128 -7.804 1.436 1.00 0.00 C ATOM 1427 O LEU A 89 -9.228 -8.915 1.958 1.00 0.00 O ATOM 1428 CB LEU A 89 -10.949 -6.976 2.901 1.00 0.00 C ATOM 1429 CG LEU A 89 -12.155 -6.074 3.177 1.00 0.00 C ATOM 1430 CD1 LEU A 89 -12.789 -6.440 4.509 1.00 0.00 C ATOM 1431 CD2 LEU A 89 -11.739 -4.618 3.183 1.00 0.00 C ATOM 0 H LEU A 89 -11.708 -7.917 0.565 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.875 -5.789 1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.274 -8.013 2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.211 -6.804 3.685 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.887 -6.223 2.383 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.646 -5.792 4.695 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -13.119 -7.479 4.482 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.058 -6.312 5.307 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.609 -3.992 3.381 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.992 -4.456 3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.317 -4.356 2.213 1.00 0.00 H new ATOM 1443 N ALA A 90 -8.096 -7.445 0.733 1.00 0.00 N ATOM 1444 CA ALA A 90 -7.019 -8.362 0.512 1.00 0.00 C ATOM 1445 C ALA A 90 -5.685 -7.680 0.554 1.00 0.00 C ATOM 1446 O ALA A 90 -5.567 -6.469 0.300 1.00 0.00 O ATOM 1447 CB ALA A 90 -7.193 -9.065 -0.825 1.00 0.00 C ATOM 0 H ALA A 90 -7.977 -6.527 0.304 1.00 0.00 H new ATOM 0 HA ALA A 90 -7.046 -9.095 1.318 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.368 -9.760 -0.981 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.135 -9.614 -0.828 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.202 -8.326 -1.626 1.00 0.00 H new ATOM 1453 N TYR A 91 -4.707 -8.450 0.897 1.00 0.00 N ATOM 1454 CA TYR A 91 -3.345 -8.058 0.875 1.00 0.00 C ATOM 1455 C TYR A 91 -2.859 -8.401 -0.509 1.00 0.00 C ATOM 1456 O TYR A 91 -2.766 -9.567 -0.870 1.00 0.00 O ATOM 1457 CB TYR A 91 -2.548 -8.849 1.917 1.00 0.00 C ATOM 1458 CG TYR A 91 -3.114 -8.789 3.319 1.00 0.00 C ATOM 1459 CD1 TYR A 91 -2.833 -7.732 4.154 1.00 0.00 C ATOM 1460 CD2 TYR A 91 -3.939 -9.802 3.799 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -3.353 -7.681 5.430 1.00 0.00 C ATOM 1462 CE2 TYR A 91 -4.461 -9.755 5.072 1.00 0.00 C ATOM 1463 CZ TYR A 91 -4.161 -8.694 5.883 1.00 0.00 C ATOM 1464 OH TYR A 91 -4.678 -8.627 7.155 1.00 0.00 O ATOM 0 H TYR A 91 -4.845 -9.410 1.213 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.223 -7.000 1.106 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.499 -9.892 1.603 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -1.525 -8.473 1.935 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -2.197 -6.932 3.805 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.174 -10.641 3.161 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.125 -6.844 6.073 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -5.102 -10.548 5.428 1.00 0.00 H new ATOM 0 HH TYR A 91 -5.095 -9.484 7.384 1.00 0.00 H new ATOM 1474 N ILE A 92 -2.615 -7.421 -1.287 1.00 0.00 N ATOM 1475 CA ILE A 92 -2.292 -7.630 -2.660 1.00 0.00 C ATOM 1476 C ILE A 92 -0.795 -7.699 -2.840 1.00 0.00 C ATOM 1477 O ILE A 92 -0.058 -6.859 -2.331 1.00 0.00 O ATOM 1478 CB ILE A 92 -2.927 -6.526 -3.544 1.00 0.00 C ATOM 1479 CG1 ILE A 92 -4.450 -6.518 -3.302 1.00 0.00 C ATOM 1480 CG2 ILE A 92 -2.621 -6.771 -5.027 1.00 0.00 C ATOM 1481 CD1 ILE A 92 -5.204 -5.438 -4.032 1.00 0.00 C ATOM 0 H ILE A 92 -2.631 -6.443 -0.998 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.710 -8.584 -2.981 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.504 -5.558 -3.276 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.855 -7.486 -3.597 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.632 -6.409 -2.233 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.077 -5.984 -5.627 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.542 -6.767 -5.181 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.026 -7.737 -5.327 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.266 -5.514 -3.799 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.833 -4.461 -3.721 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -5.059 -5.555 -5.106 1.00 0.00 H new ATOM 1493 N TYR A 93 -0.355 -8.722 -3.507 1.00 0.00 N ATOM 1494 CA TYR A 93 1.039 -8.929 -3.765 1.00 0.00 C ATOM 1495 C TYR A 93 1.301 -8.747 -5.234 1.00 0.00 C ATOM 1496 O TYR A 93 0.679 -9.410 -6.072 1.00 0.00 O ATOM 1497 CB TYR A 93 1.489 -10.338 -3.327 1.00 0.00 C ATOM 1498 CG TYR A 93 1.412 -10.593 -1.831 1.00 0.00 C ATOM 1499 CD1 TYR A 93 0.195 -10.803 -1.203 1.00 0.00 C ATOM 1500 CD2 TYR A 93 2.563 -10.625 -1.051 1.00 0.00 C ATOM 1501 CE1 TYR A 93 0.122 -11.029 0.151 1.00 0.00 C ATOM 1502 CE2 TYR A 93 2.492 -10.857 0.312 1.00 0.00 C ATOM 1503 CZ TYR A 93 1.264 -11.055 0.904 1.00 0.00 C ATOM 1504 OH TYR A 93 1.178 -11.286 2.261 1.00 0.00 O ATOM 0 H TYR A 93 -0.961 -9.446 -3.893 1.00 0.00 H new ATOM 0 HA TYR A 93 1.609 -8.201 -3.188 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.873 -11.077 -3.840 1.00 0.00 H new ATOM 0 HB3 TYR A 93 2.516 -10.495 -3.656 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -0.713 -10.789 -1.788 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.525 -10.467 -1.515 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -0.838 -11.186 0.621 1.00 0.00 H new ATOM 0 HE2 TYR A 93 3.393 -10.883 0.907 1.00 0.00 H new ATOM 0 HH TYR A 93 0.236 -11.363 2.521 1.00 0.00 H new ATOM 1514 N ALA A 94 2.181 -7.844 -5.543 1.00 0.00 N ATOM 1515 CA ALA A 94 2.587 -7.608 -6.878 1.00 0.00 C ATOM 1516 C ALA A 94 3.950 -8.204 -7.040 1.00 0.00 C ATOM 1517 O ALA A 94 4.922 -7.685 -6.504 1.00 0.00 O ATOM 1518 CB ALA A 94 2.622 -6.113 -7.149 1.00 0.00 C ATOM 0 H ALA A 94 2.640 -7.245 -4.857 1.00 0.00 H new ATOM 0 HA ALA A 94 1.891 -8.059 -7.585 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.935 -5.937 -8.178 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.628 -5.692 -6.995 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.328 -5.636 -6.468 1.00 0.00 H new ATOM 1524 N ASP A 95 3.982 -9.325 -7.737 1.00 0.00 N ATOM 1525 CA ASP A 95 5.182 -10.116 -8.055 1.00 0.00 C ATOM 1526 C ASP A 95 6.218 -10.135 -6.941 1.00 0.00 C ATOM 1527 O ASP A 95 7.330 -9.589 -7.067 1.00 0.00 O ATOM 1528 CB ASP A 95 5.774 -9.755 -9.416 1.00 0.00 C ATOM 1529 CG ASP A 95 6.885 -10.690 -9.864 1.00 0.00 C ATOM 1530 OD1 ASP A 95 6.652 -11.913 -9.933 1.00 0.00 O ATOM 1531 OD2 ASP A 95 8.000 -10.207 -10.181 1.00 0.00 O ATOM 0 H ASP A 95 3.133 -9.740 -8.122 1.00 0.00 H new ATOM 0 HA ASP A 95 4.839 -11.148 -8.133 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.980 -9.764 -10.162 1.00 0.00 H new ATOM 0 HB3 ASP A 95 6.161 -8.737 -9.376 1.00 0.00 H new ATOM 1536 N GLY A 96 5.799 -10.668 -5.818 1.00 0.00 N ATOM 1537 CA GLY A 96 6.682 -10.827 -4.682 1.00 0.00 C ATOM 1538 C GLY A 96 6.619 -9.696 -3.654 1.00 0.00 C ATOM 1539 O GLY A 96 7.107 -9.858 -2.529 1.00 0.00 O ATOM 0 H GLY A 96 4.847 -11.001 -5.664 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.442 -11.766 -4.183 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.706 -10.911 -5.045 1.00 0.00 H new ATOM 1543 N LYS A 97 6.027 -8.563 -3.998 1.00 0.00 N ATOM 1544 CA LYS A 97 5.989 -7.449 -3.048 1.00 0.00 C ATOM 1545 C LYS A 97 4.578 -7.201 -2.618 1.00 0.00 C ATOM 1546 O LYS A 97 3.690 -7.114 -3.456 1.00 0.00 O ATOM 1547 CB LYS A 97 6.543 -6.113 -3.626 1.00 0.00 C ATOM 1548 CG LYS A 97 7.935 -6.150 -4.250 1.00 0.00 C ATOM 1549 CD LYS A 97 7.892 -6.748 -5.638 1.00 0.00 C ATOM 1550 CE LYS A 97 9.248 -6.813 -6.278 1.00 0.00 C ATOM 1551 NZ LYS A 97 9.165 -7.424 -7.612 1.00 0.00 N ATOM 0 H LYS A 97 5.578 -8.387 -4.897 1.00 0.00 H new ATOM 0 HA LYS A 97 6.627 -7.748 -2.216 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.843 -5.755 -4.381 1.00 0.00 H new ATOM 0 HB3 LYS A 97 6.551 -5.375 -2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.343 -5.140 -4.298 1.00 0.00 H new ATOM 0 HG3 LYS A 97 8.605 -6.735 -3.619 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.470 -7.752 -5.585 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.226 -6.155 -6.265 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.666 -5.810 -6.358 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.925 -7.391 -5.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.113 -7.723 -7.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 8.536 -8.251 -7.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 8.787 -6.731 -8.289 1.00 0.00 H new ATOM 1565 N MET A 98 4.349 -7.102 -1.336 1.00 0.00 N ATOM 1566 CA MET A 98 3.038 -6.750 -0.858 1.00 0.00 C ATOM 1567 C MET A 98 2.826 -5.277 -1.165 1.00 0.00 C ATOM 1568 O MET A 98 3.528 -4.421 -0.617 1.00 0.00 O ATOM 1569 CB MET A 98 2.916 -6.983 0.647 1.00 0.00 C ATOM 1570 CG MET A 98 1.506 -6.787 1.195 1.00 0.00 C ATOM 1571 SD MET A 98 1.443 -6.816 3.003 1.00 0.00 S ATOM 1572 CE MET A 98 2.243 -8.381 3.350 1.00 0.00 C ATOM 0 H MET A 98 5.047 -7.259 -0.608 1.00 0.00 H new ATOM 0 HA MET A 98 2.288 -7.371 -1.347 1.00 0.00 H new ATOM 0 HB2 MET A 98 3.245 -7.997 0.875 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.593 -6.304 1.165 1.00 0.00 H new ATOM 0 HG2 MET A 98 1.112 -5.836 0.838 1.00 0.00 H new ATOM 0 HG3 MET A 98 0.857 -7.569 0.801 1.00 0.00 H new ATOM 0 HE1 MET A 98 1.792 -8.832 4.233 1.00 0.00 H new ATOM 0 HE2 MET A 98 2.120 -9.049 2.498 1.00 0.00 H new ATOM 0 HE3 MET A 98 3.305 -8.215 3.530 1.00 0.00 H new ATOM 1582 N VAL A 99 1.883 -4.998 -2.039 1.00 0.00 N ATOM 1583 CA VAL A 99 1.573 -3.642 -2.492 1.00 0.00 C ATOM 1584 C VAL A 99 1.253 -2.770 -1.305 1.00 0.00 C ATOM 1585 O VAL A 99 1.796 -1.682 -1.151 1.00 0.00 O ATOM 1586 CB VAL A 99 0.354 -3.651 -3.456 1.00 0.00 C ATOM 1587 CG1 VAL A 99 -0.015 -2.247 -3.911 1.00 0.00 C ATOM 1588 CG2 VAL A 99 0.627 -4.537 -4.653 1.00 0.00 C ATOM 0 H VAL A 99 1.295 -5.713 -2.467 1.00 0.00 H new ATOM 0 HA VAL A 99 2.442 -3.250 -3.020 1.00 0.00 H new ATOM 0 HB VAL A 99 -0.495 -4.055 -2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.871 -2.296 -4.583 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.269 -1.638 -3.043 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.831 -1.800 -4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.238 -4.530 -5.316 1.00 0.00 H new ATOM 0 HG22 VAL A 99 1.499 -4.164 -5.190 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.817 -5.556 -4.316 1.00 0.00 H new ATOM 1598 N ASN A 100 0.425 -3.313 -0.432 1.00 0.00 N ATOM 1599 CA ASN A 100 -0.028 -2.630 0.770 1.00 0.00 C ATOM 1600 C ASN A 100 1.166 -2.225 1.616 1.00 0.00 C ATOM 1601 O ASN A 100 1.231 -1.103 2.110 1.00 0.00 O ATOM 1602 CB ASN A 100 -0.938 -3.549 1.595 1.00 0.00 C ATOM 1603 CG ASN A 100 -2.035 -4.195 0.776 1.00 0.00 C ATOM 1604 OD1 ASN A 100 -1.845 -5.263 0.228 1.00 0.00 O ATOM 1605 ND2 ASN A 100 -3.170 -3.566 0.670 1.00 0.00 N ATOM 0 H ASN A 100 0.042 -4.253 -0.537 1.00 0.00 H new ATOM 0 HA ASN A 100 -0.586 -1.742 0.473 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -0.333 -4.328 2.058 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -1.388 -2.973 2.403 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -3.926 -3.968 0.117 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -3.303 -2.671 1.140 1.00 0.00 H new ATOM 1612 N GLU A 101 2.135 -3.132 1.738 1.00 0.00 N ATOM 1613 CA GLU A 101 3.310 -2.868 2.537 1.00 0.00 C ATOM 1614 C GLU A 101 4.156 -1.809 1.878 1.00 0.00 C ATOM 1615 O GLU A 101 4.614 -0.877 2.540 1.00 0.00 O ATOM 1616 CB GLU A 101 4.182 -4.109 2.736 1.00 0.00 C ATOM 1617 CG GLU A 101 5.322 -3.835 3.699 1.00 0.00 C ATOM 1618 CD GLU A 101 6.446 -4.818 3.635 1.00 0.00 C ATOM 1619 OE1 GLU A 101 7.241 -4.755 2.694 1.00 0.00 O ATOM 1620 OE2 GLU A 101 6.609 -5.596 4.578 1.00 0.00 O ATOM 0 H GLU A 101 2.121 -4.049 1.292 1.00 0.00 H new ATOM 0 HA GLU A 101 2.949 -2.538 3.511 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.571 -4.928 3.116 1.00 0.00 H new ATOM 0 HB3 GLU A 101 4.584 -4.431 1.775 1.00 0.00 H new ATOM 0 HG2 GLU A 101 5.717 -2.839 3.499 1.00 0.00 H new ATOM 0 HG3 GLU A 101 4.926 -3.822 4.715 1.00 0.00 H new ATOM 1627 N ALA A 102 4.362 -1.964 0.578 1.00 0.00 N ATOM 1628 CA ALA A 102 5.198 -1.072 -0.194 1.00 0.00 C ATOM 1629 C ALA A 102 4.684 0.354 -0.126 1.00 0.00 C ATOM 1630 O ALA A 102 5.465 1.283 0.050 1.00 0.00 O ATOM 1631 CB ALA A 102 5.321 -1.547 -1.631 1.00 0.00 C ATOM 0 H ALA A 102 3.949 -2.719 0.031 1.00 0.00 H new ATOM 0 HA ALA A 102 6.196 -1.084 0.245 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.955 -0.858 -2.189 1.00 0.00 H new ATOM 0 HB2 ALA A 102 5.764 -2.543 -1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.332 -1.582 -2.089 1.00 0.00 H new ATOM 1637 N LEU A 103 3.366 0.511 -0.225 1.00 0.00 N ATOM 1638 CA LEU A 103 2.727 1.814 -0.101 1.00 0.00 C ATOM 1639 C LEU A 103 3.080 2.443 1.231 1.00 0.00 C ATOM 1640 O LEU A 103 3.490 3.597 1.299 1.00 0.00 O ATOM 1641 CB LEU A 103 1.202 1.689 -0.201 1.00 0.00 C ATOM 1642 CG LEU A 103 0.641 1.076 -1.479 1.00 0.00 C ATOM 1643 CD1 LEU A 103 -0.874 1.057 -1.446 1.00 0.00 C ATOM 1644 CD2 LEU A 103 1.145 1.816 -2.694 1.00 0.00 C ATOM 0 H LEU A 103 2.717 -0.257 -0.392 1.00 0.00 H new ATOM 0 HA LEU A 103 3.088 2.441 -0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.855 1.092 0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.772 2.684 -0.085 1.00 0.00 H new ATOM 0 HG LEU A 103 0.990 0.045 -1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.253 0.615 -2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.212 0.466 -0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.249 2.076 -1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.732 1.361 -3.594 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.835 2.859 -2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.233 1.763 -2.727 1.00 0.00 H new ATOM 1656 N VAL A 104 2.961 1.672 2.279 1.00 0.00 N ATOM 1657 CA VAL A 104 3.216 2.169 3.603 1.00 0.00 C ATOM 1658 C VAL A 104 4.718 2.446 3.835 1.00 0.00 C ATOM 1659 O VAL A 104 5.081 3.537 4.244 1.00 0.00 O ATOM 1660 CB VAL A 104 2.634 1.242 4.705 1.00 0.00 C ATOM 1661 CG1 VAL A 104 2.838 1.853 6.067 1.00 0.00 C ATOM 1662 CG2 VAL A 104 1.157 1.018 4.479 1.00 0.00 C ATOM 0 H VAL A 104 2.687 0.690 2.239 1.00 0.00 H new ATOM 0 HA VAL A 104 2.692 3.122 3.680 1.00 0.00 H new ATOM 0 HB VAL A 104 3.157 0.287 4.655 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.425 1.191 6.828 1.00 0.00 H new ATOM 0 HG12 VAL A 104 3.904 1.992 6.247 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.333 2.818 6.112 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.764 0.366 5.260 1.00 0.00 H new ATOM 0 HG22 VAL A 104 0.635 1.975 4.508 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.005 0.551 3.506 1.00 0.00 H new ATOM 1672 N ARG A 105 5.597 1.495 3.487 1.00 0.00 N ATOM 1673 CA ARG A 105 7.048 1.680 3.740 1.00 0.00 C ATOM 1674 C ARG A 105 7.723 2.626 2.765 1.00 0.00 C ATOM 1675 O ARG A 105 8.920 2.881 2.887 1.00 0.00 O ATOM 1676 CB ARG A 105 7.856 0.366 3.838 1.00 0.00 C ATOM 1677 CG ARG A 105 7.778 -0.546 2.630 1.00 0.00 C ATOM 1678 CD ARG A 105 8.779 -1.681 2.759 1.00 0.00 C ATOM 1679 NE ARG A 105 8.647 -2.680 1.695 1.00 0.00 N ATOM 1680 CZ ARG A 105 9.320 -2.681 0.530 1.00 0.00 C ATOM 1681 NH1 ARG A 105 10.063 -1.623 0.175 1.00 0.00 N ATOM 1682 NH2 ARG A 105 9.221 -3.728 -0.289 1.00 0.00 N ATOM 0 H ARG A 105 5.347 0.612 3.042 1.00 0.00 H new ATOM 0 HA ARG A 105 7.061 2.142 4.727 1.00 0.00 H new ATOM 0 HB2 ARG A 105 8.902 0.617 4.014 1.00 0.00 H new ATOM 0 HB3 ARG A 105 7.510 -0.187 4.711 1.00 0.00 H new ATOM 0 HG2 ARG A 105 6.770 -0.950 2.536 1.00 0.00 H new ATOM 0 HG3 ARG A 105 7.979 0.024 1.723 1.00 0.00 H new ATOM 0 HD2 ARG A 105 9.789 -1.272 2.743 1.00 0.00 H new ATOM 0 HD3 ARG A 105 8.647 -2.167 3.726 1.00 0.00 H new ATOM 0 HE ARG A 105 7.987 -3.442 1.851 1.00 0.00 H new ATOM 0 HH11 ARG A 105 10.121 -0.811 0.790 1.00 0.00 H new ATOM 0 HH12 ARG A 105 10.571 -1.630 -0.710 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.637 -4.524 -0.031 1.00 0.00 H new ATOM 0 HH22 ARG A 105 9.729 -3.734 -1.173 1.00 0.00 H new ATOM 1696 N GLN A 106 7.004 3.088 1.767 1.00 0.00 N ATOM 1697 CA GLN A 106 7.548 4.098 0.882 1.00 0.00 C ATOM 1698 C GLN A 106 6.929 5.456 1.234 1.00 0.00 C ATOM 1699 O GLN A 106 7.296 6.506 0.698 1.00 0.00 O ATOM 1700 CB GLN A 106 7.319 3.740 -0.584 1.00 0.00 C ATOM 1701 CG GLN A 106 8.022 4.672 -1.572 1.00 0.00 C ATOM 1702 CD GLN A 106 9.520 4.736 -1.352 1.00 0.00 C ATOM 1703 OE1 GLN A 106 10.278 3.946 -1.919 1.00 0.00 O ATOM 1704 NE2 GLN A 106 9.963 5.666 -0.541 1.00 0.00 N ATOM 0 H GLN A 106 6.054 2.787 1.548 1.00 0.00 H new ATOM 0 HA GLN A 106 8.628 4.151 1.022 1.00 0.00 H new ATOM 0 HB2 GLN A 106 7.663 2.720 -0.756 1.00 0.00 H new ATOM 0 HB3 GLN A 106 6.248 3.754 -0.787 1.00 0.00 H new ATOM 0 HG2 GLN A 106 7.822 4.334 -2.589 1.00 0.00 H new ATOM 0 HG3 GLN A 106 7.603 5.674 -1.481 1.00 0.00 H new ATOM 0 HE21 GLN A 106 9.307 6.303 -0.089 1.00 0.00 H new ATOM 0 HE22 GLN A 106 10.963 5.753 -0.362 1.00 0.00 H new ATOM 1713 N GLY A 107 6.019 5.419 2.166 1.00 0.00 N ATOM 1714 CA GLY A 107 5.381 6.608 2.631 1.00 0.00 C ATOM 1715 C GLY A 107 4.329 7.132 1.694 1.00 0.00 C ATOM 1716 O GLY A 107 4.314 8.311 1.399 1.00 0.00 O ATOM 0 H GLY A 107 5.702 4.563 2.621 1.00 0.00 H new ATOM 0 HA2 GLY A 107 4.926 6.410 3.601 1.00 0.00 H new ATOM 0 HA3 GLY A 107 6.136 7.379 2.784 1.00 0.00 H new ATOM 1720 N LEU A 108 3.486 6.267 1.183 1.00 0.00 N ATOM 1721 CA LEU A 108 2.356 6.706 0.382 1.00 0.00 C ATOM 1722 C LEU A 108 1.058 6.210 0.982 1.00 0.00 C ATOM 1723 O LEU A 108 -0.002 6.421 0.435 1.00 0.00 O ATOM 1724 CB LEU A 108 2.444 6.323 -1.120 1.00 0.00 C ATOM 1725 CG LEU A 108 3.601 6.933 -1.925 1.00 0.00 C ATOM 1726 CD1 LEU A 108 4.882 6.192 -1.711 1.00 0.00 C ATOM 1727 CD2 LEU A 108 3.276 7.011 -3.387 1.00 0.00 C ATOM 0 H LEU A 108 3.556 5.257 1.304 1.00 0.00 H new ATOM 0 HA LEU A 108 2.385 7.795 0.407 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.517 5.238 -1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 108 1.508 6.611 -1.599 1.00 0.00 H new ATOM 0 HG LEU A 108 3.738 7.949 -1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.674 6.657 -2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 108 5.148 6.223 -0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 108 4.759 5.155 -2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 108 4.118 7.448 -3.924 1.00 0.00 H new ATOM 0 HD22 LEU A 108 3.081 6.009 -3.770 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.392 7.633 -3.531 1.00 0.00 H new ATOM 1739 N ALA A 109 1.150 5.544 2.105 1.00 0.00 N ATOM 1740 CA ALA A 109 -0.028 5.105 2.820 1.00 0.00 C ATOM 1741 C ALA A 109 0.236 5.095 4.310 1.00 0.00 C ATOM 1742 O ALA A 109 1.375 4.902 4.737 1.00 0.00 O ATOM 1743 CB ALA A 109 -0.477 3.723 2.362 1.00 0.00 C ATOM 0 H ALA A 109 2.033 5.291 2.549 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.830 5.810 2.601 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -1.364 3.425 2.920 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -0.710 3.750 1.298 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.322 3.003 2.540 1.00 0.00 H new ATOM 1749 N LYS A 110 -0.794 5.364 5.077 1.00 0.00 N ATOM 1750 CA LYS A 110 -0.737 5.268 6.525 1.00 0.00 C ATOM 1751 C LYS A 110 -1.449 4.023 6.949 1.00 0.00 C ATOM 1752 O LYS A 110 -2.241 3.481 6.177 1.00 0.00 O ATOM 1753 CB LYS A 110 -1.454 6.423 7.221 1.00 0.00 C ATOM 1754 CG LYS A 110 -0.801 7.775 7.129 1.00 0.00 C ATOM 1755 CD LYS A 110 -1.049 8.470 5.827 1.00 0.00 C ATOM 1756 CE LYS A 110 -0.629 9.924 5.924 1.00 0.00 C ATOM 1757 NZ LYS A 110 -1.352 10.646 6.996 1.00 0.00 N ATOM 0 H LYS A 110 -1.702 5.658 4.717 1.00 0.00 H new ATOM 0 HA LYS A 110 0.317 5.279 6.801 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -2.458 6.501 6.805 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -1.565 6.169 8.275 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.166 8.402 7.942 1.00 0.00 H new ATOM 0 HG3 LYS A 110 0.274 7.661 7.272 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.493 7.975 5.030 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.105 8.405 5.567 1.00 0.00 H new ATOM 0 HE2 LYS A 110 0.443 9.979 6.111 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.811 10.417 4.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.657 11.576 6.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.185 10.095 7.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -0.722 10.776 7.813 1.00 0.00 H new ATOM 1771 N VAL A 111 -1.184 3.563 8.141 1.00 0.00 N ATOM 1772 CA VAL A 111 -1.950 2.485 8.699 1.00 0.00 C ATOM 1773 C VAL A 111 -3.102 3.124 9.447 1.00 0.00 C ATOM 1774 O VAL A 111 -2.902 3.865 10.429 1.00 0.00 O ATOM 1775 CB VAL A 111 -1.124 1.590 9.641 1.00 0.00 C ATOM 1776 CG1 VAL A 111 -1.971 0.434 10.178 1.00 0.00 C ATOM 1777 CG2 VAL A 111 0.088 1.060 8.913 1.00 0.00 C ATOM 0 H VAL A 111 -0.443 3.919 8.744 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.295 1.827 7.901 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.796 2.190 10.490 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -1.365 -0.184 10.841 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -2.822 0.832 10.730 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.330 -0.171 9.346 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.668 0.428 9.585 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.232 0.475 8.051 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.704 1.894 8.577 1.00 0.00 H new ATOM 1787 N ALA A 112 -4.275 2.865 8.985 1.00 0.00 N ATOM 1788 CA ALA A 112 -5.457 3.524 9.459 1.00 0.00 C ATOM 1789 C ALA A 112 -6.327 2.566 10.236 1.00 0.00 C ATOM 1790 O ALA A 112 -5.886 1.475 10.575 1.00 0.00 O ATOM 1791 CB ALA A 112 -6.214 4.103 8.284 1.00 0.00 C ATOM 0 H ALA A 112 -4.451 2.177 8.253 1.00 0.00 H new ATOM 0 HA ALA A 112 -5.170 4.332 10.132 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.113 4.605 8.642 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -5.582 4.821 7.762 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -6.494 3.301 7.601 1.00 0.00 H new ATOM 1797 N TYR A 113 -7.536 3.017 10.567 1.00 0.00 N ATOM 1798 CA TYR A 113 -8.524 2.237 11.315 1.00 0.00 C ATOM 1799 C TYR A 113 -8.819 0.922 10.598 1.00 0.00 C ATOM 1800 O TYR A 113 -9.505 0.896 9.566 1.00 0.00 O ATOM 1801 CB TYR A 113 -9.823 3.038 11.484 1.00 0.00 C ATOM 1802 CG TYR A 113 -9.650 4.371 12.184 1.00 0.00 C ATOM 1803 CD1 TYR A 113 -9.718 4.463 13.564 1.00 0.00 C ATOM 1804 CD2 TYR A 113 -9.421 5.537 11.459 1.00 0.00 C ATOM 1805 CE1 TYR A 113 -9.565 5.676 14.206 1.00 0.00 C ATOM 1806 CE2 TYR A 113 -9.268 6.752 12.092 1.00 0.00 C ATOM 1807 CZ TYR A 113 -9.341 6.816 13.468 1.00 0.00 C ATOM 1808 OH TYR A 113 -9.197 8.035 14.110 1.00 0.00 O ATOM 0 H TYR A 113 -7.863 3.951 10.319 1.00 0.00 H new ATOM 0 HA TYR A 113 -8.112 2.019 12.300 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -10.259 3.212 10.500 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -10.536 2.436 12.047 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -9.894 3.571 14.148 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -9.362 5.489 10.382 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -9.621 5.730 15.283 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -9.092 7.648 11.515 1.00 0.00 H new ATOM 0 HH TYR A 113 -9.044 8.739 13.445 1.00 0.00 H new ATOM 1818 N VAL A 114 -8.288 -0.139 11.143 1.00 0.00 N ATOM 1819 CA VAL A 114 -8.386 -1.455 10.562 1.00 0.00 C ATOM 1820 C VAL A 114 -9.756 -2.092 10.804 1.00 0.00 C ATOM 1821 O VAL A 114 -10.278 -2.075 11.925 1.00 0.00 O ATOM 1822 CB VAL A 114 -7.273 -2.379 11.127 1.00 0.00 C ATOM 1823 CG1 VAL A 114 -7.420 -3.777 10.600 1.00 0.00 C ATOM 1824 CG2 VAL A 114 -5.892 -1.845 10.788 1.00 0.00 C ATOM 0 H VAL A 114 -7.765 -0.115 12.019 1.00 0.00 H new ATOM 0 HA VAL A 114 -8.257 -1.340 9.486 1.00 0.00 H new ATOM 0 HB VAL A 114 -7.382 -2.397 12.211 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -6.629 -4.405 11.010 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -8.390 -4.177 10.894 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -7.347 -3.765 9.512 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -5.133 -2.513 11.197 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -5.780 -1.788 9.705 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -5.770 -0.851 11.219 1.00 0.00 H new ATOM 1834 N TYR A 115 -10.324 -2.648 9.749 1.00 0.00 N ATOM 1835 CA TYR A 115 -11.574 -3.360 9.825 1.00 0.00 C ATOM 1836 C TYR A 115 -11.289 -4.837 10.133 1.00 0.00 C ATOM 1837 O TYR A 115 -10.899 -5.607 9.256 1.00 0.00 O ATOM 1838 CB TYR A 115 -12.352 -3.205 8.507 1.00 0.00 C ATOM 1839 CG TYR A 115 -13.717 -3.868 8.479 1.00 0.00 C ATOM 1840 CD1 TYR A 115 -14.820 -3.260 9.064 1.00 0.00 C ATOM 1841 CD2 TYR A 115 -13.904 -5.092 7.850 1.00 0.00 C ATOM 1842 CE1 TYR A 115 -16.066 -3.853 9.023 1.00 0.00 C ATOM 1843 CE2 TYR A 115 -15.143 -5.690 7.808 1.00 0.00 C ATOM 1844 CZ TYR A 115 -16.221 -5.068 8.395 1.00 0.00 C ATOM 1845 OH TYR A 115 -17.466 -5.664 8.342 1.00 0.00 O ATOM 0 H TYR A 115 -9.923 -2.614 8.812 1.00 0.00 H new ATOM 0 HA TYR A 115 -12.191 -2.947 10.623 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -12.478 -2.142 8.301 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -11.749 -3.617 7.698 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -14.701 -2.308 9.559 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -13.062 -5.584 7.385 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -16.914 -3.366 9.481 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -15.269 -6.643 7.316 1.00 0.00 H new ATOM 0 HH TYR A 115 -17.361 -6.636 8.275 1.00 0.00 H new ATOM 1855 N LYS A 116 -11.445 -5.192 11.378 1.00 0.00 N ATOM 1856 CA LYS A 116 -11.188 -6.538 11.859 1.00 0.00 C ATOM 1857 C LYS A 116 -12.336 -7.473 11.460 1.00 0.00 C ATOM 1858 O LYS A 116 -13.426 -6.997 11.136 1.00 0.00 O ATOM 1859 CB LYS A 116 -10.967 -6.486 13.376 1.00 0.00 C ATOM 1860 CG LYS A 116 -9.667 -5.790 13.745 1.00 0.00 C ATOM 1861 CD LYS A 116 -9.561 -5.500 15.220 1.00 0.00 C ATOM 1862 CE LYS A 116 -8.273 -4.749 15.516 1.00 0.00 C ATOM 1863 NZ LYS A 116 -8.157 -4.350 16.930 1.00 0.00 N ATOM 0 H LYS A 116 -11.759 -4.550 12.106 1.00 0.00 H new ATOM 0 HA LYS A 116 -10.286 -6.943 11.400 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -11.802 -5.965 13.845 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -10.960 -7.500 13.775 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -8.827 -6.414 13.440 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -9.589 -4.856 13.189 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -10.418 -4.909 15.544 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -9.585 -6.432 15.784 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -7.422 -5.376 15.249 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -8.223 -3.860 14.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -7.261 -3.842 17.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -8.952 -3.728 17.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -8.176 -5.197 17.533 1.00 0.00 H new ATOM 1877 N PRO A 117 -12.139 -8.819 11.457 1.00 0.00 N ATOM 1878 CA PRO A 117 -10.894 -9.513 11.865 1.00 0.00 C ATOM 1879 C PRO A 117 -9.817 -9.551 10.783 1.00 0.00 C ATOM 1880 O PRO A 117 -8.882 -10.360 10.857 1.00 0.00 O ATOM 1881 CB PRO A 117 -11.363 -10.948 12.166 1.00 0.00 C ATOM 1882 CG PRO A 117 -12.838 -10.963 11.912 1.00 0.00 C ATOM 1883 CD PRO A 117 -13.141 -9.786 11.041 1.00 0.00 C ATOM 0 HA PRO A 117 -10.428 -8.994 12.702 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -10.850 -11.668 11.528 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -11.142 -11.222 13.198 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -13.136 -11.891 11.424 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -13.392 -10.903 12.849 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -13.053 -10.031 9.983 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -14.153 -9.414 11.199 1.00 0.00 H new ATOM 1891 N ASN A 118 -9.941 -8.709 9.795 1.00 0.00 N ATOM 1892 CA ASN A 118 -8.939 -8.625 8.760 1.00 0.00 C ATOM 1893 C ASN A 118 -7.861 -7.675 9.213 1.00 0.00 C ATOM 1894 O ASN A 118 -7.911 -6.493 8.928 1.00 0.00 O ATOM 1895 CB ASN A 118 -9.527 -8.171 7.401 1.00 0.00 C ATOM 1896 CG ASN A 118 -10.517 -9.158 6.783 1.00 0.00 C ATOM 1897 OD1 ASN A 118 -11.256 -9.866 7.477 1.00 0.00 O ATOM 1898 ND2 ASN A 118 -10.529 -9.225 5.477 1.00 0.00 N ATOM 0 H ASN A 118 -10.726 -8.068 9.681 1.00 0.00 H new ATOM 0 HA ASN A 118 -8.526 -9.621 8.598 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -10.026 -7.211 7.537 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -8.708 -8.009 6.700 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -11.159 -9.874 5.005 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -9.908 -8.629 4.930 1.00 0.00 H new ATOM 1905 N ASN A 119 -6.943 -8.177 10.006 1.00 0.00 N ATOM 1906 CA ASN A 119 -5.900 -7.341 10.577 1.00 0.00 C ATOM 1907 C ASN A 119 -4.635 -8.112 10.859 1.00 0.00 C ATOM 1908 O ASN A 119 -3.832 -7.720 11.714 1.00 0.00 O ATOM 1909 CB ASN A 119 -6.366 -6.693 11.879 1.00 0.00 C ATOM 1910 CG ASN A 119 -6.711 -7.672 13.013 1.00 0.00 C ATOM 1911 OD1 ASN A 119 -7.229 -8.764 12.802 1.00 0.00 O ATOM 1912 ND2 ASN A 119 -6.378 -7.303 14.210 1.00 0.00 N ATOM 0 H ASN A 119 -6.893 -9.160 10.273 1.00 0.00 H new ATOM 0 HA ASN A 119 -5.688 -6.576 9.830 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -5.585 -6.018 12.229 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -7.244 -6.083 11.668 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -6.545 -7.925 15.001 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -5.949 -6.390 14.361 1.00 0.00 H new ATOM 1919 N THR A 120 -4.397 -9.134 10.105 1.00 0.00 N ATOM 1920 CA THR A 120 -3.232 -9.970 10.352 1.00 0.00 C ATOM 1921 C THR A 120 -1.946 -9.197 10.027 1.00 0.00 C ATOM 1922 O THR A 120 -0.967 -9.226 10.771 1.00 0.00 O ATOM 1923 CB THR A 120 -3.297 -11.268 9.536 1.00 0.00 C ATOM 1924 OG1 THR A 120 -4.563 -11.891 9.763 1.00 0.00 O ATOM 1925 CG2 THR A 120 -2.188 -12.228 9.940 1.00 0.00 C ATOM 0 H THR A 120 -4.977 -9.422 9.317 1.00 0.00 H new ATOM 0 HA THR A 120 -3.226 -10.239 11.408 1.00 0.00 H new ATOM 0 HB THR A 120 -3.171 -11.024 8.481 1.00 0.00 H new ATOM 0 HG1 THR A 120 -5.277 -11.315 9.419 1.00 0.00 H new ATOM 0 HG21 THR A 120 -2.260 -13.138 9.345 1.00 0.00 H new ATOM 0 HG22 THR A 120 -1.220 -11.758 9.769 1.00 0.00 H new ATOM 0 HG23 THR A 120 -2.289 -12.476 10.997 1.00 0.00 H new ATOM 1933 N HIS A 121 -1.976 -8.437 8.959 1.00 0.00 N ATOM 1934 CA HIS A 121 -0.800 -7.691 8.576 1.00 0.00 C ATOM 1935 C HIS A 121 -0.855 -6.236 9.011 1.00 0.00 C ATOM 1936 O HIS A 121 -0.056 -5.445 8.526 1.00 0.00 O ATOM 1937 CB HIS A 121 -0.483 -7.796 7.067 1.00 0.00 C ATOM 1938 CG HIS A 121 0.099 -9.110 6.623 1.00 0.00 C ATOM 1939 ND1 HIS A 121 -0.368 -9.838 5.543 1.00 0.00 N ATOM 1940 CD2 HIS A 121 1.169 -9.786 7.078 1.00 0.00 C ATOM 1941 CE1 HIS A 121 0.397 -10.894 5.373 1.00 0.00 C ATOM 1942 NE2 HIS A 121 1.332 -10.880 6.287 1.00 0.00 N ATOM 0 H HIS A 121 -2.785 -8.319 8.349 1.00 0.00 H new ATOM 0 HA HIS A 121 0.020 -8.165 9.116 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -1.400 -7.616 6.506 1.00 0.00 H new ATOM 0 HB3 HIS A 121 0.214 -7.001 6.803 1.00 0.00 H new ATOM 0 HD1 HIS A 121 -1.176 -9.595 4.970 1.00 0.00 H new ATOM 0 HD2 HIS A 121 1.787 -9.510 7.920 1.00 0.00 H new ATOM 0 HE1 HIS A 121 0.274 -11.646 4.608 1.00 0.00 H new ATOM 1951 N GLU A 122 -1.740 -5.880 9.979 1.00 0.00 N ATOM 1952 CA GLU A 122 -1.814 -4.491 10.440 1.00 0.00 C ATOM 1953 C GLU A 122 -0.457 -4.103 11.073 1.00 0.00 C ATOM 1954 O GLU A 122 0.052 -3.000 10.897 1.00 0.00 O ATOM 1955 CB GLU A 122 -2.952 -4.284 11.480 1.00 0.00 C ATOM 1956 CG GLU A 122 -2.728 -4.954 12.838 1.00 0.00 C ATOM 1957 CD GLU A 122 -3.728 -4.550 13.902 1.00 0.00 C ATOM 1958 OE1 GLU A 122 -3.671 -3.403 14.385 1.00 0.00 O ATOM 1959 OE2 GLU A 122 -4.544 -5.388 14.318 1.00 0.00 O ATOM 0 H GLU A 122 -2.388 -6.521 10.436 1.00 0.00 H new ATOM 0 HA GLU A 122 -2.035 -3.857 9.582 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -3.086 -3.214 11.639 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -3.882 -4.662 11.056 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -2.769 -6.035 12.708 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -1.724 -4.713 13.188 1.00 0.00 H new ATOM 1966 N GLN A 123 0.129 -5.082 11.750 1.00 0.00 N ATOM 1967 CA GLN A 123 1.393 -4.955 12.445 1.00 0.00 C ATOM 1968 C GLN A 123 2.552 -4.834 11.443 1.00 0.00 C ATOM 1969 O GLN A 123 3.464 -4.025 11.613 1.00 0.00 O ATOM 1970 CB GLN A 123 1.563 -6.171 13.373 1.00 0.00 C ATOM 1971 CG GLN A 123 1.539 -7.524 12.655 1.00 0.00 C ATOM 1972 CD GLN A 123 1.552 -8.700 13.600 1.00 0.00 C ATOM 1973 OE1 GLN A 123 2.607 -9.176 14.004 1.00 0.00 O ATOM 1974 NE2 GLN A 123 0.393 -9.220 13.914 1.00 0.00 N ATOM 0 H GLN A 123 -0.279 -6.013 11.830 1.00 0.00 H new ATOM 0 HA GLN A 123 1.402 -4.046 13.047 1.00 0.00 H new ATOM 0 HB2 GLN A 123 2.507 -6.075 13.909 1.00 0.00 H new ATOM 0 HB3 GLN A 123 0.770 -6.156 14.120 1.00 0.00 H new ATOM 0 HG2 GLN A 123 0.649 -7.580 12.029 1.00 0.00 H new ATOM 0 HG3 GLN A 123 2.401 -7.591 11.991 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -0.467 -8.800 13.561 1.00 0.00 H new ATOM 0 HE22 GLN A 123 0.349 -10.046 14.511 1.00 0.00 H new ATOM 1983 N LEU A 124 2.449 -5.600 10.371 1.00 0.00 N ATOM 1984 CA LEU A 124 3.422 -5.624 9.297 1.00 0.00 C ATOM 1985 C LEU A 124 3.490 -4.243 8.668 1.00 0.00 C ATOM 1986 O LEU A 124 4.577 -3.696 8.407 1.00 0.00 O ATOM 1987 CB LEU A 124 2.965 -6.708 8.279 1.00 0.00 C ATOM 1988 CG LEU A 124 3.780 -6.960 6.988 1.00 0.00 C ATOM 1989 CD1 LEU A 124 3.634 -5.848 5.977 1.00 0.00 C ATOM 1990 CD2 LEU A 124 5.237 -7.246 7.297 1.00 0.00 C ATOM 0 H LEU A 124 1.667 -6.237 10.221 1.00 0.00 H new ATOM 0 HA LEU A 124 4.422 -5.873 9.653 1.00 0.00 H new ATOM 0 HB2 LEU A 124 2.912 -7.654 8.817 1.00 0.00 H new ATOM 0 HB3 LEU A 124 1.949 -6.457 7.975 1.00 0.00 H new ATOM 0 HG LEU A 124 3.357 -7.852 6.526 1.00 0.00 H new ATOM 0 HD11 LEU A 124 4.228 -6.080 5.093 1.00 0.00 H new ATOM 0 HD12 LEU A 124 2.586 -5.748 5.694 1.00 0.00 H new ATOM 0 HD13 LEU A 124 3.983 -4.912 6.413 1.00 0.00 H new ATOM 0 HD21 LEU A 124 5.779 -7.418 6.367 1.00 0.00 H new ATOM 0 HD22 LEU A 124 5.672 -6.394 7.819 1.00 0.00 H new ATOM 0 HD23 LEU A 124 5.308 -8.132 7.928 1.00 0.00 H new ATOM 2002 N LEU A 125 2.336 -3.700 8.426 1.00 0.00 N ATOM 2003 CA LEU A 125 2.201 -2.387 7.862 1.00 0.00 C ATOM 2004 C LEU A 125 2.707 -1.323 8.828 1.00 0.00 C ATOM 2005 O LEU A 125 3.324 -0.360 8.417 1.00 0.00 O ATOM 2006 CB LEU A 125 0.752 -2.142 7.473 1.00 0.00 C ATOM 2007 CG LEU A 125 0.195 -3.095 6.419 1.00 0.00 C ATOM 2008 CD1 LEU A 125 -1.278 -2.854 6.202 1.00 0.00 C ATOM 2009 CD2 LEU A 125 0.957 -2.945 5.119 1.00 0.00 C ATOM 0 H LEU A 125 1.447 -4.162 8.617 1.00 0.00 H new ATOM 0 HA LEU A 125 2.815 -2.323 6.964 1.00 0.00 H new ATOM 0 HB2 LEU A 125 0.134 -2.214 8.368 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.659 -1.121 7.103 1.00 0.00 H new ATOM 0 HG LEU A 125 0.320 -4.116 6.779 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -1.652 -3.545 5.447 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.814 -3.013 7.137 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.433 -1.829 5.865 1.00 0.00 H new ATOM 0 HD21 LEU A 125 0.549 -3.631 4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 125 0.862 -1.921 4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 125 2.009 -3.175 5.285 1.00 0.00 H new ATOM 2021 N ARG A 126 2.493 -1.522 10.114 1.00 0.00 N ATOM 2022 CA ARG A 126 2.955 -0.562 11.108 1.00 0.00 C ATOM 2023 C ARG A 126 4.458 -0.424 11.196 1.00 0.00 C ATOM 2024 O ARG A 126 4.958 0.685 11.424 1.00 0.00 O ATOM 2025 CB ARG A 126 2.334 -0.765 12.465 1.00 0.00 C ATOM 2026 CG ARG A 126 0.989 -0.119 12.576 1.00 0.00 C ATOM 2027 CD ARG A 126 0.399 -0.313 13.931 1.00 0.00 C ATOM 2028 NE ARG A 126 -0.730 0.585 14.144 1.00 0.00 N ATOM 2029 CZ ARG A 126 -1.501 0.599 15.218 1.00 0.00 C ATOM 2030 NH1 ARG A 126 -1.323 -0.297 16.182 1.00 0.00 N ATOM 2031 NH2 ARG A 126 -2.451 1.512 15.320 1.00 0.00 N ATOM 0 H ARG A 126 2.006 -2.332 10.497 1.00 0.00 H new ATOM 0 HA ARG A 126 2.594 0.395 10.731 1.00 0.00 H new ATOM 0 HB2 ARG A 126 2.239 -1.833 12.663 1.00 0.00 H new ATOM 0 HB3 ARG A 126 2.995 -0.357 13.229 1.00 0.00 H new ATOM 0 HG2 ARG A 126 1.078 0.947 12.366 1.00 0.00 H new ATOM 0 HG3 ARG A 126 0.320 -0.537 11.824 1.00 0.00 H new ATOM 0 HD2 ARG A 126 0.072 -1.347 14.044 1.00 0.00 H new ATOM 0 HD3 ARG A 126 1.159 -0.134 14.691 1.00 0.00 H new ATOM 0 HE ARG A 126 -0.942 1.256 13.405 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -0.589 -1.000 16.096 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -1.920 -0.282 17.009 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -2.583 2.196 14.575 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -3.052 1.533 16.144 1.00 0.00 H new ATOM 2045 N LYS A 127 5.187 -1.513 10.998 1.00 0.00 N ATOM 2046 CA LYS A 127 6.643 -1.416 11.002 1.00 0.00 C ATOM 2047 C LYS A 127 7.091 -0.609 9.784 1.00 0.00 C ATOM 2048 O LYS A 127 8.063 0.135 9.832 1.00 0.00 O ATOM 2049 CB LYS A 127 7.341 -2.819 11.113 1.00 0.00 C ATOM 2050 CG LYS A 127 7.270 -3.777 9.903 1.00 0.00 C ATOM 2051 CD LYS A 127 8.291 -3.422 8.809 1.00 0.00 C ATOM 2052 CE LYS A 127 8.240 -4.390 7.631 1.00 0.00 C ATOM 2053 NZ LYS A 127 6.942 -4.358 6.937 1.00 0.00 N ATOM 0 H LYS A 127 4.811 -2.448 10.837 1.00 0.00 H new ATOM 0 HA LYS A 127 6.963 -0.885 11.899 1.00 0.00 H new ATOM 0 HB2 LYS A 127 8.394 -2.648 11.339 1.00 0.00 H new ATOM 0 HB3 LYS A 127 6.911 -3.336 11.971 1.00 0.00 H new ATOM 0 HG2 LYS A 127 7.446 -4.798 10.242 1.00 0.00 H new ATOM 0 HG3 LYS A 127 6.266 -3.750 9.481 1.00 0.00 H new ATOM 0 HD2 LYS A 127 8.101 -2.410 8.453 1.00 0.00 H new ATOM 0 HD3 LYS A 127 9.294 -3.426 9.236 1.00 0.00 H new ATOM 0 HE2 LYS A 127 9.033 -4.142 6.925 1.00 0.00 H new ATOM 0 HE3 LYS A 127 8.435 -5.402 7.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 6.892 -5.144 6.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 6.174 -4.452 7.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 6.841 -3.455 6.430 1.00 0.00 H new ATOM 2067 N SER A 128 6.330 -0.744 8.714 1.00 0.00 N ATOM 2068 CA SER A 128 6.546 0.002 7.496 1.00 0.00 C ATOM 2069 C SER A 128 6.207 1.487 7.703 1.00 0.00 C ATOM 2070 O SER A 128 6.878 2.363 7.165 1.00 0.00 O ATOM 2071 CB SER A 128 5.663 -0.583 6.406 1.00 0.00 C ATOM 2072 OG SER A 128 5.978 -1.944 6.160 1.00 0.00 O ATOM 0 H SER A 128 5.536 -1.383 8.669 1.00 0.00 H new ATOM 0 HA SER A 128 7.595 -0.069 7.208 1.00 0.00 H new ATOM 0 HB2 SER A 128 4.616 -0.497 6.698 1.00 0.00 H new ATOM 0 HB3 SER A 128 5.786 -0.008 5.488 1.00 0.00 H new ATOM 0 HG SER A 128 6.542 -2.010 5.361 1.00 0.00 H new ATOM 2078 N GLU A 129 5.167 1.743 8.481 1.00 0.00 N ATOM 2079 CA GLU A 129 4.726 3.092 8.774 1.00 0.00 C ATOM 2080 C GLU A 129 5.773 3.823 9.590 1.00 0.00 C ATOM 2081 O GLU A 129 6.142 4.953 9.269 1.00 0.00 O ATOM 2082 CB GLU A 129 3.372 3.066 9.490 1.00 0.00 C ATOM 2083 CG GLU A 129 2.853 4.429 9.874 1.00 0.00 C ATOM 2084 CD GLU A 129 1.489 4.388 10.501 1.00 0.00 C ATOM 2085 OE1 GLU A 129 1.372 3.988 11.686 1.00 0.00 O ATOM 2086 OE2 GLU A 129 0.515 4.779 9.843 1.00 0.00 O ATOM 0 H GLU A 129 4.606 1.017 8.927 1.00 0.00 H new ATOM 0 HA GLU A 129 4.596 3.634 7.837 1.00 0.00 H new ATOM 0 HB2 GLU A 129 2.641 2.579 8.845 1.00 0.00 H new ATOM 0 HB3 GLU A 129 3.460 2.456 10.389 1.00 0.00 H new ATOM 0 HG2 GLU A 129 3.552 4.894 10.570 1.00 0.00 H new ATOM 0 HG3 GLU A 129 2.819 5.061 8.987 1.00 0.00 H new ATOM 2093 N ALA A 130 6.272 3.158 10.623 1.00 0.00 N ATOM 2094 CA ALA A 130 7.326 3.710 11.467 1.00 0.00 C ATOM 2095 C ALA A 130 8.563 3.989 10.625 1.00 0.00 C ATOM 2096 O ALA A 130 9.231 5.013 10.792 1.00 0.00 O ATOM 2097 CB ALA A 130 7.649 2.762 12.614 1.00 0.00 C ATOM 0 H ALA A 130 5.961 2.227 10.899 1.00 0.00 H new ATOM 0 HA ALA A 130 6.979 4.648 11.901 1.00 0.00 H new ATOM 0 HB1 ALA A 130 8.437 3.193 13.231 1.00 0.00 H new ATOM 0 HB2 ALA A 130 6.757 2.608 13.221 1.00 0.00 H new ATOM 0 HB3 ALA A 130 7.984 1.806 12.212 1.00 0.00 H new ATOM 2103 N GLN A 131 8.834 3.080 9.701 1.00 0.00 N ATOM 2104 CA GLN A 131 9.912 3.219 8.750 1.00 0.00 C ATOM 2105 C GLN A 131 9.758 4.468 7.901 1.00 0.00 C ATOM 2106 O GLN A 131 10.670 5.279 7.828 1.00 0.00 O ATOM 2107 CB GLN A 131 9.992 1.976 7.881 1.00 0.00 C ATOM 2108 CG GLN A 131 10.949 0.916 8.400 1.00 0.00 C ATOM 2109 CD GLN A 131 12.406 1.316 8.229 1.00 0.00 C ATOM 2110 OE1 GLN A 131 13.267 0.955 9.033 1.00 0.00 O ATOM 2111 NE2 GLN A 131 12.703 2.027 7.175 1.00 0.00 N ATOM 0 H GLN A 131 8.302 2.217 9.594 1.00 0.00 H new ATOM 0 HA GLN A 131 10.844 3.327 9.304 1.00 0.00 H new ATOM 0 HB2 GLN A 131 8.996 1.541 7.796 1.00 0.00 H new ATOM 0 HB3 GLN A 131 10.300 2.267 6.877 1.00 0.00 H new ATOM 0 HG2 GLN A 131 10.747 0.733 9.455 1.00 0.00 H new ATOM 0 HG3 GLN A 131 10.768 -0.021 7.874 1.00 0.00 H new ATOM 0 HE21 GLN A 131 11.968 2.311 6.527 1.00 0.00 H new ATOM 0 HE22 GLN A 131 13.670 2.299 6.999 1.00 0.00 H new ATOM 2120 N ALA A 132 8.588 4.652 7.336 1.00 0.00 N ATOM 2121 CA ALA A 132 8.323 5.780 6.464 1.00 0.00 C ATOM 2122 C ALA A 132 8.354 7.106 7.217 1.00 0.00 C ATOM 2123 O ALA A 132 8.857 8.119 6.694 1.00 0.00 O ATOM 2124 CB ALA A 132 7.007 5.587 5.755 1.00 0.00 C ATOM 0 H ALA A 132 7.792 4.027 7.465 1.00 0.00 H new ATOM 0 HA ALA A 132 9.120 5.823 5.721 1.00 0.00 H new ATOM 0 HB1 ALA A 132 6.817 6.439 5.103 1.00 0.00 H new ATOM 0 HB2 ALA A 132 7.045 4.675 5.159 1.00 0.00 H new ATOM 0 HB3 ALA A 132 6.206 5.507 6.490 1.00 0.00 H new ATOM 2130 N LYS A 133 7.826 7.096 8.435 1.00 0.00 N ATOM 2131 CA LYS A 133 7.805 8.264 9.290 1.00 0.00 C ATOM 2132 C LYS A 133 9.213 8.737 9.613 1.00 0.00 C ATOM 2133 O LYS A 133 9.543 9.913 9.426 1.00 0.00 O ATOM 2134 CB LYS A 133 7.077 7.953 10.597 1.00 0.00 C ATOM 2135 CG LYS A 133 5.561 7.837 10.511 1.00 0.00 C ATOM 2136 CD LYS A 133 5.000 7.315 11.830 1.00 0.00 C ATOM 2137 CE LYS A 133 3.478 7.319 11.878 1.00 0.00 C ATOM 2138 NZ LYS A 133 2.919 8.681 11.976 1.00 0.00 N ATOM 0 H LYS A 133 7.399 6.270 8.854 1.00 0.00 H new ATOM 0 HA LYS A 133 7.281 9.053 8.751 1.00 0.00 H new ATOM 0 HB2 LYS A 133 7.470 7.017 10.994 1.00 0.00 H new ATOM 0 HB3 LYS A 133 7.321 8.733 11.319 1.00 0.00 H new ATOM 0 HG2 LYS A 133 5.126 8.810 10.282 1.00 0.00 H new ATOM 0 HG3 LYS A 133 5.285 7.165 9.698 1.00 0.00 H new ATOM 0 HD2 LYS A 133 5.360 6.299 11.994 1.00 0.00 H new ATOM 0 HD3 LYS A 133 5.384 7.925 12.648 1.00 0.00 H new ATOM 0 HE2 LYS A 133 3.088 6.833 10.983 1.00 0.00 H new ATOM 0 HE3 LYS A 133 3.143 6.730 12.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 1.986 8.641 12.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 3.556 9.278 12.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 2.820 9.085 11.023 1.00 0.00 H new ATOM 2152 N LYS A 134 10.058 7.818 10.053 1.00 0.00 N ATOM 2153 CA LYS A 134 11.391 8.186 10.493 1.00 0.00 C ATOM 2154 C LYS A 134 12.315 8.543 9.347 1.00 0.00 C ATOM 2155 O LYS A 134 13.287 9.255 9.544 1.00 0.00 O ATOM 2156 CB LYS A 134 12.028 7.119 11.398 1.00 0.00 C ATOM 2157 CG LYS A 134 12.321 5.780 10.742 1.00 0.00 C ATOM 2158 CD LYS A 134 12.919 4.823 11.754 1.00 0.00 C ATOM 2159 CE LYS A 134 13.220 3.463 11.158 1.00 0.00 C ATOM 2160 NZ LYS A 134 14.263 3.510 10.107 1.00 0.00 N ATOM 0 H LYS A 134 9.846 6.822 10.114 1.00 0.00 H new ATOM 0 HA LYS A 134 11.257 9.088 11.090 1.00 0.00 H new ATOM 0 HB2 LYS A 134 12.961 7.518 11.796 1.00 0.00 H new ATOM 0 HB3 LYS A 134 11.366 6.948 12.247 1.00 0.00 H new ATOM 0 HG2 LYS A 134 11.403 5.360 10.331 1.00 0.00 H new ATOM 0 HG3 LYS A 134 13.010 5.918 9.909 1.00 0.00 H new ATOM 0 HD2 LYS A 134 13.837 5.251 12.156 1.00 0.00 H new ATOM 0 HD3 LYS A 134 12.229 4.705 12.590 1.00 0.00 H new ATOM 0 HE2 LYS A 134 13.541 2.788 11.951 1.00 0.00 H new ATOM 0 HE3 LYS A 134 12.305 3.047 10.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 14.284 2.603 9.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 14.048 4.277 9.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 15.190 3.683 10.545 1.00 0.00 H new ATOM 2174 N GLU A 135 12.019 8.062 8.156 1.00 0.00 N ATOM 2175 CA GLU A 135 12.869 8.365 7.010 1.00 0.00 C ATOM 2176 C GLU A 135 12.356 9.584 6.262 1.00 0.00 C ATOM 2177 O GLU A 135 12.971 10.033 5.294 1.00 0.00 O ATOM 2178 CB GLU A 135 12.999 7.154 6.088 1.00 0.00 C ATOM 2179 CG GLU A 135 13.477 5.931 6.835 1.00 0.00 C ATOM 2180 CD GLU A 135 13.793 4.750 5.970 1.00 0.00 C ATOM 2181 OE1 GLU A 135 12.980 4.369 5.114 1.00 0.00 O ATOM 2182 OE2 GLU A 135 14.856 4.130 6.199 1.00 0.00 O ATOM 0 H GLU A 135 11.213 7.470 7.953 1.00 0.00 H new ATOM 0 HA GLU A 135 13.866 8.602 7.380 1.00 0.00 H new ATOM 0 HB2 GLU A 135 12.035 6.944 5.625 1.00 0.00 H new ATOM 0 HB3 GLU A 135 13.696 7.384 5.282 1.00 0.00 H new ATOM 0 HG2 GLU A 135 14.368 6.196 7.404 1.00 0.00 H new ATOM 0 HG3 GLU A 135 12.713 5.641 7.556 1.00 0.00 H new ATOM 2189 N LYS A 136 11.230 10.122 6.747 1.00 0.00 N ATOM 2190 CA LYS A 136 10.582 11.318 6.199 1.00 0.00 C ATOM 2191 C LYS A 136 10.325 11.142 4.721 1.00 0.00 C ATOM 2192 O LYS A 136 10.677 12.006 3.918 1.00 0.00 O ATOM 2193 CB LYS A 136 11.435 12.586 6.414 1.00 0.00 C ATOM 2194 CG LYS A 136 11.908 12.794 7.837 1.00 0.00 C ATOM 2195 CD LYS A 136 12.736 14.061 7.958 1.00 0.00 C ATOM 2196 CE LYS A 136 13.328 14.218 9.349 1.00 0.00 C ATOM 2197 NZ LYS A 136 14.277 13.127 9.686 1.00 0.00 N ATOM 0 H LYS A 136 10.735 9.729 7.548 1.00 0.00 H new ATOM 0 HA LYS A 136 9.639 11.444 6.731 1.00 0.00 H new ATOM 0 HB2 LYS A 136 12.305 12.538 5.759 1.00 0.00 H new ATOM 0 HB3 LYS A 136 10.853 13.455 6.108 1.00 0.00 H new ATOM 0 HG2 LYS A 136 11.048 12.853 8.504 1.00 0.00 H new ATOM 0 HG3 LYS A 136 12.501 11.937 8.155 1.00 0.00 H new ATOM 0 HD2 LYS A 136 13.539 14.042 7.221 1.00 0.00 H new ATOM 0 HD3 LYS A 136 12.113 14.926 7.728 1.00 0.00 H new ATOM 0 HE2 LYS A 136 13.842 15.177 9.416 1.00 0.00 H new ATOM 0 HE3 LYS A 136 12.523 14.236 10.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 14.828 13.393 10.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 13.747 12.254 9.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 14.922 12.968 8.886 1.00 0.00 H new ATOM 2211 N LEU A 137 9.723 10.034 4.357 1.00 0.00 N ATOM 2212 CA LEU A 137 9.435 9.750 2.952 1.00 0.00 C ATOM 2213 C LEU A 137 8.363 10.687 2.445 1.00 0.00 C ATOM 2214 O LEU A 137 7.751 11.333 3.248 1.00 0.00 O ATOM 2215 CB LEU A 137 9.083 8.291 2.777 1.00 0.00 C ATOM 2216 CG LEU A 137 10.237 7.336 3.110 1.00 0.00 C ATOM 2217 CD1 LEU A 137 9.816 5.903 3.009 1.00 0.00 C ATOM 2218 CD2 LEU A 137 11.422 7.595 2.198 1.00 0.00 C ATOM 0 H LEU A 137 9.419 9.309 5.007 1.00 0.00 H new ATOM 0 HA LEU A 137 10.322 9.930 2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 137 8.230 8.053 3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 137 8.769 8.123 1.747 1.00 0.00 H new ATOM 0 HG LEU A 137 10.531 7.527 4.142 1.00 0.00 H new ATOM 0 HD11 LEU A 137 10.660 5.258 3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 137 9.001 5.713 3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 137 9.480 5.693 1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 137 12.231 6.909 2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 137 11.124 7.441 1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 137 11.764 8.622 2.328 1.00 0.00 H new ATOM 2230 N ASN A 138 8.124 10.720 1.129 1.00 0.00 N ATOM 2231 CA ASN A 138 7.282 11.777 0.459 1.00 0.00 C ATOM 2232 C ASN A 138 6.128 12.404 1.264 1.00 0.00 C ATOM 2233 O ASN A 138 6.079 13.626 1.382 1.00 0.00 O ATOM 2234 CB ASN A 138 6.833 11.456 -1.000 1.00 0.00 C ATOM 2235 CG ASN A 138 5.895 10.263 -1.186 1.00 0.00 C ATOM 2236 OD1 ASN A 138 6.150 9.174 -0.528 1.00 0.00 O flip ATOM 2237 ND2 ASN A 138 5.002 10.306 -2.033 1.00 0.00 N flip ATOM 0 H ASN A 138 8.497 10.027 0.480 1.00 0.00 H new ATOM 0 HA ASN A 138 8.035 12.563 0.409 1.00 0.00 H new ATOM 0 HB2 ASN A 138 6.343 12.340 -1.407 1.00 0.00 H new ATOM 0 HB3 ASN A 138 7.726 11.283 -1.600 1.00 0.00 H new ATOM 0 HD21 ASN A 138 4.819 11.173 -2.538 1.00 0.00 H new ATOM 0 HD22 ASN A 138 4.445 9.474 -2.230 1.00 0.00 H new ATOM 2244 N ILE A 139 5.225 11.626 1.843 1.00 0.00 N ATOM 2245 CA ILE A 139 4.113 12.265 2.573 1.00 0.00 C ATOM 2246 C ILE A 139 4.499 12.654 4.017 1.00 0.00 C ATOM 2247 O ILE A 139 3.803 13.414 4.677 1.00 0.00 O ATOM 2248 CB ILE A 139 2.813 11.418 2.588 1.00 0.00 C ATOM 2249 CG1 ILE A 139 3.005 10.128 3.403 1.00 0.00 C ATOM 2250 CG2 ILE A 139 2.371 11.110 1.159 1.00 0.00 C ATOM 2251 CD1 ILE A 139 1.786 9.231 3.457 1.00 0.00 C ATOM 0 H ILE A 139 5.225 10.606 1.832 1.00 0.00 H new ATOM 0 HA ILE A 139 3.906 13.175 2.010 1.00 0.00 H new ATOM 0 HB ILE A 139 2.026 11.996 3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 139 3.836 9.565 2.978 1.00 0.00 H new ATOM 0 HG13 ILE A 139 3.289 10.395 4.421 1.00 0.00 H new ATOM 0 HG21 ILE A 139 1.458 10.515 1.181 1.00 0.00 H new ATOM 0 HG22 ILE A 139 2.184 12.043 0.627 1.00 0.00 H new ATOM 0 HG23 ILE A 139 3.155 10.552 0.648 1.00 0.00 H new ATOM 0 HD11 ILE A 139 2.012 8.346 4.052 1.00 0.00 H new ATOM 0 HD12 ILE A 139 0.956 9.772 3.912 1.00 0.00 H new ATOM 0 HD13 ILE A 139 1.512 8.929 2.446 1.00 0.00 H new ATOM 2263 N TRP A 140 5.609 12.144 4.482 1.00 0.00 N ATOM 2264 CA TRP A 140 6.073 12.376 5.843 1.00 0.00 C ATOM 2265 C TRP A 140 7.111 13.493 5.874 1.00 0.00 C ATOM 2266 O TRP A 140 7.568 13.927 6.943 1.00 0.00 O ATOM 2267 CB TRP A 140 6.661 11.092 6.435 1.00 0.00 C ATOM 2268 CG TRP A 140 5.693 9.946 6.462 1.00 0.00 C ATOM 2269 CD1 TRP A 140 5.705 8.845 5.661 1.00 0.00 C ATOM 2270 CD2 TRP A 140 4.557 9.801 7.319 1.00 0.00 C ATOM 2271 NE1 TRP A 140 4.661 8.014 5.984 1.00 0.00 N ATOM 2272 CE2 TRP A 140 3.942 8.579 6.992 1.00 0.00 C ATOM 2273 CE3 TRP A 140 4.004 10.583 8.335 1.00 0.00 C ATOM 2274 CZ2 TRP A 140 2.809 8.120 7.642 1.00 0.00 C ATOM 2275 CZ3 TRP A 140 2.875 10.127 8.978 1.00 0.00 C ATOM 2276 CH2 TRP A 140 2.289 8.905 8.629 1.00 0.00 C ATOM 0 H TRP A 140 6.228 11.550 3.930 1.00 0.00 H new ATOM 0 HA TRP A 140 5.218 12.680 6.447 1.00 0.00 H new ATOM 0 HB2 TRP A 140 7.538 10.803 5.856 1.00 0.00 H new ATOM 0 HB3 TRP A 140 7.002 11.293 7.451 1.00 0.00 H new ATOM 0 HD1 TRP A 140 6.431 8.653 4.884 1.00 0.00 H new ATOM 0 HE1 TRP A 140 4.457 7.118 5.540 1.00 0.00 H new ATOM 0 HE3 TRP A 140 4.452 11.526 8.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 2.354 7.177 7.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 2.435 10.722 9.764 1.00 0.00 H new ATOM 0 HH2 TRP A 140 1.404 8.576 9.153 1.00 0.00 H new ATOM 2287 N SER A 141 7.502 13.936 4.699 1.00 0.00 N ATOM 2288 CA SER A 141 8.436 15.024 4.567 1.00 0.00 C ATOM 2289 C SER A 141 7.727 16.348 4.922 1.00 0.00 C ATOM 2290 O SER A 141 6.535 16.351 5.265 1.00 0.00 O ATOM 2291 CB SER A 141 8.919 15.083 3.128 1.00 0.00 C ATOM 2292 OG SER A 141 9.189 13.792 2.627 1.00 0.00 O ATOM 0 H SER A 141 7.180 13.550 3.811 1.00 0.00 H new ATOM 0 HA SER A 141 9.282 14.873 5.237 1.00 0.00 H new ATOM 0 HB2 SER A 141 8.164 15.566 2.508 1.00 0.00 H new ATOM 0 HB3 SER A 141 9.819 15.695 3.069 1.00 0.00 H new ATOM 0 HG SER A 141 9.528 13.224 3.351 1.00 0.00 H new