USER MOD reduce.3.24.130724 H: found=0, std=0, add=990, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 990 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 121 HIS : no HE2:sc= -0.151 X(o=-1.1,f=-0.99) USER MOD Set 1.2: A 123 GLN : amide:sc= -0.931 K(o=-1.1,f=-2.6!) USER MOD Set 2.1: A 64 LYS NZ :NH3+ -165:sc= 0.159 (180deg=0) USER MOD Set 2.2: A 68 ASN : amide:sc= -4.28! K(o=-4.1!,f=-2.8) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00179) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -173:sc=-0.00214 (180deg=-0.0678) USER MOD Single : A 22 THR OG1 : rot 180:sc= -2.21! USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -139:sc= -2.09 (180deg=-3.36) USER MOD Single : A 27 TYR OH : rot 30:sc= 1.3 USER MOD Single : A 28 LYS NZ :NH3+ -162:sc= -0.0327 (180deg=-0.37) USER MOD Single : A 30 GLN : amide:sc= -1.77 K(o=-1.8,f=-2.6!) USER MOD Single : A 32 MET CE :methyl 142:sc= -0.483 (180deg=-4.96!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 160:sc= -1.13 USER MOD Single : A 59 SER OG : rot 137:sc= 0.585 USER MOD Single : A 62 THR OG1 : rot 75:sc= 0.0955 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -110:sc= -0.683 (180deg=-2.67!) USER MOD Single : A 70 LYS NZ :NH3+ -127:sc= -0.0573 (180deg=-0.401) USER MOD Single : A 71 LYS NZ :NH3+ 177:sc= 0.334 (180deg=0.28) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc=-0.00831 (180deg=-0.00831) USER MOD Single : A 80 GLN : amide:sc= -1.9! K(o=-1.9!,f=-0.21) USER MOD Single : A 82 THR OG1 : rot 41:sc= 0.00361 USER MOD Single : A 84 LYS NZ :NH3+ -168:sc= 0.96 (180deg=-0.0943!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 57:sc= -3.89! USER MOD Single : A 93 TYR OH : rot -169:sc= 1.21 USER MOD Single : A 97 LYS NZ :NH3+ -179:sc= 1.1 (180deg=1.08) USER MOD Single : A 98 MET CE :methyl 173:sc= -1.31 (180deg=-1.55) USER MOD Single : A 100 ASN : amide:sc= -0.386 K(o=-0.39,f=-7.9!) USER MOD Single : A 106 GLN : amide:sc= -0.901 K(o=-0.9,f=-0.12) USER MOD Single : A 110 LYS NZ :NH3+ -162:sc= 1.24 (180deg=1.12) USER MOD Single : A 113 TYR OH : rot 180:sc= -1.55! USER MOD Single : A 115 TYR OH : rot 165:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 161:sc= -0.0284 (180deg=-0.228) USER MOD Single : A 118 ASN : amide:sc= -11.2! C(o=-11!,f=-23!) USER MOD Single : A 119 ASN : amide:sc= 0.0322 X(o=0.032,f=-0.1) USER MOD Single : A 120 THR OG1 : rot 98:sc= -1.77! USER MOD Single : A 127 LYS NZ :NH3+ 166:sc= -0.06 (180deg=-0.242) USER MOD Single : A 131 GLN : amide:sc= -3.23! K(o=-3.2!,f=-0.07) USER MOD Single : A 133 LYS NZ :NH3+ 174:sc= 1.15 (180deg=1.12) USER MOD Single : A 134 LYS NZ :NH3+ -166:sc= -0.0131 (180deg=-0.165) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 ASN : amide:sc= 0.802 K(o=0.8,f=-0.057) USER MOD ----------------------------------------------------------------- ATOM 115 N HIS A 8 -13.526 6.847 1.009 1.00 0.00 N ATOM 116 CA HIS A 8 -14.386 5.992 1.758 1.00 0.00 C ATOM 117 C HIS A 8 -13.716 4.696 2.188 1.00 0.00 C ATOM 118 O HIS A 8 -13.167 3.957 1.372 1.00 0.00 O ATOM 119 CB HIS A 8 -15.722 5.755 1.028 1.00 0.00 C ATOM 120 CG HIS A 8 -15.643 5.498 -0.447 1.00 0.00 C ATOM 121 ND1 HIS A 8 -16.268 6.278 -1.396 1.00 0.00 N ATOM 122 CD2 HIS A 8 -15.018 4.530 -1.114 1.00 0.00 C ATOM 123 CE1 HIS A 8 -15.999 5.763 -2.594 1.00 0.00 C ATOM 124 NE2 HIS A 8 -15.234 4.687 -2.484 1.00 0.00 N ATOM 0 HA HIS A 8 -14.615 6.517 2.685 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -16.220 4.906 1.496 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -16.358 6.626 1.189 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -14.432 3.742 -0.663 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -16.356 6.168 -3.529 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -14.879 4.099 -3.238 1.00 0.00 H new ATOM 132 N LYS A 9 -13.724 4.477 3.483 1.00 0.00 N ATOM 133 CA LYS A 9 -13.175 3.317 4.113 1.00 0.00 C ATOM 134 C LYS A 9 -14.102 2.112 3.924 1.00 0.00 C ATOM 135 O LYS A 9 -15.334 2.243 4.016 1.00 0.00 O ATOM 136 CB LYS A 9 -13.059 3.617 5.590 1.00 0.00 C ATOM 137 CG LYS A 9 -11.880 2.979 6.261 1.00 0.00 C ATOM 138 CD LYS A 9 -10.581 3.517 5.708 1.00 0.00 C ATOM 139 CE LYS A 9 -10.461 5.036 5.818 1.00 0.00 C ATOM 140 NZ LYS A 9 -10.530 5.529 7.210 1.00 0.00 N ATOM 0 H LYS A 9 -14.132 5.135 4.146 1.00 0.00 H new ATOM 0 HA LYS A 9 -12.206 3.080 3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.998 4.697 5.725 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.969 3.284 6.089 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.925 3.163 7.334 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.919 1.899 6.121 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.749 3.054 6.239 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.492 3.227 4.661 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.517 5.352 5.374 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.257 5.499 5.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.426 6.564 7.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.448 5.271 7.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.765 5.100 7.769 1.00 0.00 H new ATOM 154 N GLU A 10 -13.523 0.962 3.698 1.00 0.00 N ATOM 155 CA GLU A 10 -14.251 -0.270 3.478 1.00 0.00 C ATOM 156 C GLU A 10 -13.444 -1.405 4.048 1.00 0.00 C ATOM 157 O GLU A 10 -12.252 -1.248 4.230 1.00 0.00 O ATOM 158 CB GLU A 10 -14.496 -0.515 1.985 1.00 0.00 C ATOM 159 CG GLU A 10 -15.495 0.440 1.343 1.00 0.00 C ATOM 160 CD GLU A 10 -15.817 0.089 -0.077 1.00 0.00 C ATOM 161 OE1 GLU A 10 -15.077 0.491 -0.989 1.00 0.00 O ATOM 162 OE2 GLU A 10 -16.853 -0.595 -0.319 1.00 0.00 O ATOM 0 H GLU A 10 -12.510 0.848 3.660 1.00 0.00 H new ATOM 0 HA GLU A 10 -15.222 -0.200 3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.546 -0.436 1.456 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.852 -1.537 1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.415 0.441 1.928 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -15.094 1.453 1.378 1.00 0.00 H new ATOM 169 N PRO A 11 -14.053 -2.538 4.371 1.00 0.00 N ATOM 170 CA PRO A 11 -13.336 -3.669 4.908 1.00 0.00 C ATOM 171 C PRO A 11 -12.864 -4.641 3.820 1.00 0.00 C ATOM 172 O PRO A 11 -13.476 -4.761 2.753 1.00 0.00 O ATOM 173 CB PRO A 11 -14.385 -4.345 5.812 1.00 0.00 C ATOM 174 CG PRO A 11 -15.650 -3.552 5.612 1.00 0.00 C ATOM 175 CD PRO A 11 -15.477 -2.825 4.321 1.00 0.00 C ATOM 0 HA PRO A 11 -12.426 -3.367 5.426 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -14.528 -5.390 5.536 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -14.073 -4.331 6.856 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -16.520 -4.207 5.578 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.808 -2.855 6.435 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.747 -3.437 3.460 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -16.081 -1.919 4.270 1.00 0.00 H new ATOM 183 N ALA A 12 -11.785 -5.313 4.093 1.00 0.00 N ATOM 184 CA ALA A 12 -11.233 -6.302 3.212 1.00 0.00 C ATOM 185 C ALA A 12 -10.679 -7.433 4.037 1.00 0.00 C ATOM 186 O ALA A 12 -10.442 -7.276 5.242 1.00 0.00 O ATOM 187 CB ALA A 12 -10.141 -5.678 2.357 1.00 0.00 C ATOM 0 H ALA A 12 -11.252 -5.187 4.953 1.00 0.00 H new ATOM 0 HA ALA A 12 -12.008 -6.687 2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.725 -6.433 1.690 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.562 -4.864 1.766 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.352 -5.289 3.001 1.00 0.00 H new ATOM 193 N THR A 13 -10.533 -8.582 3.435 1.00 0.00 N ATOM 194 CA THR A 13 -9.951 -9.711 4.147 1.00 0.00 C ATOM 195 C THR A 13 -8.647 -10.120 3.467 1.00 0.00 C ATOM 196 O THR A 13 -8.572 -10.120 2.254 1.00 0.00 O ATOM 197 CB THR A 13 -10.921 -10.908 4.182 1.00 0.00 C ATOM 198 OG1 THR A 13 -12.218 -10.453 4.608 1.00 0.00 O ATOM 199 CG2 THR A 13 -10.423 -11.957 5.156 1.00 0.00 C ATOM 0 H THR A 13 -10.801 -8.770 2.469 1.00 0.00 H new ATOM 0 HA THR A 13 -9.754 -9.407 5.175 1.00 0.00 H new ATOM 0 HB THR A 13 -10.983 -11.344 3.185 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.839 -11.211 4.630 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.117 -12.797 5.172 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.438 -12.305 4.844 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.355 -11.524 6.154 1.00 0.00 H new ATOM 207 N LEU A 14 -7.640 -10.438 4.230 1.00 0.00 N ATOM 208 CA LEU A 14 -6.367 -10.804 3.671 1.00 0.00 C ATOM 209 C LEU A 14 -6.392 -12.184 3.046 1.00 0.00 C ATOM 210 O LEU A 14 -6.642 -13.190 3.711 1.00 0.00 O ATOM 211 CB LEU A 14 -5.225 -10.624 4.700 1.00 0.00 C ATOM 212 CG LEU A 14 -3.767 -10.923 4.238 1.00 0.00 C ATOM 213 CD1 LEU A 14 -3.389 -12.377 4.391 1.00 0.00 C ATOM 214 CD2 LEU A 14 -3.538 -10.470 2.804 1.00 0.00 C ATOM 0 H LEU A 14 -7.676 -10.451 5.249 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.158 -10.115 2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.257 -9.595 5.057 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.442 -11.265 5.555 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.118 -10.349 4.899 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.363 -12.524 4.053 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.471 -12.666 5.439 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.060 -12.992 3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.512 -10.692 2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.226 -10.996 2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.712 -9.397 2.729 1.00 0.00 H new ATOM 226 N ILE A 15 -6.158 -12.201 1.754 1.00 0.00 N ATOM 227 CA ILE A 15 -6.058 -13.409 1.008 1.00 0.00 C ATOM 228 C ILE A 15 -4.591 -13.728 0.745 1.00 0.00 C ATOM 229 O ILE A 15 -4.134 -14.844 1.035 1.00 0.00 O ATOM 230 CB ILE A 15 -6.871 -13.339 -0.310 1.00 0.00 C ATOM 231 CG1 ILE A 15 -8.345 -13.061 0.016 1.00 0.00 C ATOM 232 CG2 ILE A 15 -6.736 -14.640 -1.093 1.00 0.00 C ATOM 233 CD1 ILE A 15 -9.243 -12.967 -1.191 1.00 0.00 C ATOM 0 H ILE A 15 -6.032 -11.357 1.195 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.492 -14.217 1.597 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.480 -12.531 -0.928 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.715 -13.852 0.669 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.411 -12.128 0.576 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.314 -14.571 -2.015 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.687 -14.812 -1.334 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.111 -15.468 -0.491 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -10.265 -12.769 -0.869 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.902 -12.157 -1.836 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -9.212 -13.907 -1.742 1.00 0.00 H new ATOM 245 N LYS A 16 -3.831 -12.750 0.237 1.00 0.00 N ATOM 246 CA LYS A 16 -2.396 -12.985 -0.025 1.00 0.00 C ATOM 247 C LYS A 16 -1.654 -11.719 -0.380 1.00 0.00 C ATOM 248 O LYS A 16 -1.973 -11.078 -1.349 1.00 0.00 O ATOM 249 CB LYS A 16 -2.188 -14.028 -1.155 1.00 0.00 C ATOM 250 CG LYS A 16 -0.726 -14.287 -1.544 1.00 0.00 C ATOM 251 CD LYS A 16 0.099 -14.785 -0.360 1.00 0.00 C ATOM 252 CE LYS A 16 1.561 -14.997 -0.737 1.00 0.00 C ATOM 253 NZ LYS A 16 1.740 -16.061 -1.744 1.00 0.00 N ATOM 0 H LYS A 16 -4.166 -11.815 0.004 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.986 -13.371 0.908 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.637 -14.971 -0.844 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.729 -13.694 -2.040 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.689 -15.023 -2.347 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.286 -13.369 -1.933 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.035 -14.065 0.456 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.321 -15.721 0.007 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.972 -14.064 -1.123 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.130 -15.250 0.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.755 -16.246 -1.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.270 -16.930 -1.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.322 -15.758 -2.647 1.00 0.00 H new ATOM 267 N ALA A 17 -0.664 -11.372 0.403 1.00 0.00 N ATOM 268 CA ALA A 17 0.216 -10.274 0.044 1.00 0.00 C ATOM 269 C ALA A 17 1.109 -10.770 -1.057 1.00 0.00 C ATOM 270 O ALA A 17 1.853 -11.731 -0.870 1.00 0.00 O ATOM 271 CB ALA A 17 1.028 -9.804 1.227 1.00 0.00 C ATOM 0 H ALA A 17 -0.443 -11.827 1.289 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.368 -9.415 -0.286 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.675 -8.982 0.921 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.358 -9.464 2.016 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.639 -10.627 1.599 1.00 0.00 H new ATOM 277 N ILE A 18 1.016 -10.158 -2.202 1.00 0.00 N ATOM 278 CA ILE A 18 1.693 -10.689 -3.348 1.00 0.00 C ATOM 279 C ILE A 18 3.098 -10.149 -3.474 1.00 0.00 C ATOM 280 O ILE A 18 4.071 -10.905 -3.398 1.00 0.00 O ATOM 281 CB ILE A 18 0.892 -10.485 -4.657 1.00 0.00 C ATOM 282 CG1 ILE A 18 -0.575 -10.912 -4.412 1.00 0.00 C ATOM 283 CG2 ILE A 18 1.533 -11.291 -5.792 1.00 0.00 C ATOM 284 CD1 ILE A 18 -1.374 -11.272 -5.642 1.00 0.00 C ATOM 0 H ILE A 18 0.485 -9.302 -2.366 1.00 0.00 H new ATOM 0 HA ILE A 18 1.768 -11.764 -3.186 1.00 0.00 H new ATOM 0 HB ILE A 18 0.906 -9.436 -4.953 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.575 -11.769 -3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.087 -10.101 -3.895 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.964 -11.143 -6.710 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.559 -10.955 -5.943 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.532 -12.350 -5.532 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.385 -11.555 -5.349 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.417 -10.413 -6.312 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.897 -12.108 -6.154 1.00 0.00 H new ATOM 296 N ASP A 19 3.230 -8.855 -3.623 1.00 0.00 N ATOM 297 CA ASP A 19 4.587 -8.277 -3.799 1.00 0.00 C ATOM 298 C ASP A 19 4.843 -7.182 -2.857 1.00 0.00 C ATOM 299 O ASP A 19 5.848 -6.477 -2.951 1.00 0.00 O ATOM 300 CB ASP A 19 4.812 -7.723 -5.181 1.00 0.00 C ATOM 301 CG ASP A 19 5.131 -8.764 -6.230 1.00 0.00 C ATOM 302 OD1 ASP A 19 6.235 -9.357 -6.172 1.00 0.00 O ATOM 303 OD2 ASP A 19 4.321 -8.980 -7.154 1.00 0.00 O ATOM 0 H ASP A 19 2.462 -8.183 -3.630 1.00 0.00 H new ATOM 0 HA ASP A 19 5.265 -9.111 -3.618 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.921 -7.176 -5.489 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.630 -7.003 -5.141 1.00 0.00 H new ATOM 308 N GLY A 20 3.976 -7.046 -1.956 1.00 0.00 N ATOM 309 CA GLY A 20 4.003 -5.928 -1.093 1.00 0.00 C ATOM 310 C GLY A 20 3.112 -4.908 -1.684 1.00 0.00 C ATOM 311 O GLY A 20 1.970 -4.776 -1.289 1.00 0.00 O ATOM 0 H GLY A 20 3.216 -7.704 -1.783 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.666 -6.203 -0.094 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.018 -5.543 -0.992 1.00 0.00 H new ATOM 315 N ASP A 21 3.584 -4.306 -2.763 1.00 0.00 N ATOM 316 CA ASP A 21 2.840 -3.302 -3.539 1.00 0.00 C ATOM 317 C ASP A 21 1.847 -3.989 -4.496 1.00 0.00 C ATOM 318 O ASP A 21 1.602 -3.587 -5.650 1.00 0.00 O ATOM 319 CB ASP A 21 3.834 -2.341 -4.214 1.00 0.00 C ATOM 320 CG ASP A 21 3.261 -1.332 -5.168 1.00 0.00 C ATOM 321 OD1 ASP A 21 2.094 -0.915 -5.026 1.00 0.00 O ATOM 322 OD2 ASP A 21 3.956 -1.002 -6.158 1.00 0.00 O ATOM 0 H ASP A 21 4.512 -4.499 -3.139 1.00 0.00 H new ATOM 0 HA ASP A 21 2.220 -2.686 -2.888 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.370 -1.803 -3.432 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.570 -2.937 -4.753 1.00 0.00 H new ATOM 327 N THR A 22 1.282 -5.048 -3.972 1.00 0.00 N ATOM 328 CA THR A 22 0.244 -5.841 -4.556 1.00 0.00 C ATOM 329 C THR A 22 -0.155 -6.877 -3.563 1.00 0.00 C ATOM 330 O THR A 22 0.719 -7.659 -3.086 1.00 0.00 O ATOM 331 CB THR A 22 0.610 -6.508 -5.883 1.00 0.00 C ATOM 332 OG1 THR A 22 2.031 -6.558 -6.039 1.00 0.00 O ATOM 333 CG2 THR A 22 -0.043 -5.799 -7.059 1.00 0.00 C ATOM 0 H THR A 22 1.562 -5.400 -3.056 1.00 0.00 H new ATOM 0 HA THR A 22 -0.574 -5.163 -4.799 1.00 0.00 H new ATOM 0 HB THR A 22 0.228 -7.529 -5.865 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.252 -6.988 -6.891 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.238 -6.298 -7.986 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.127 -5.828 -6.945 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.291 -4.762 -7.090 1.00 0.00 H new ATOM 341 N VAL A 23 -1.432 -6.870 -3.215 1.00 0.00 N ATOM 342 CA VAL A 23 -1.974 -7.721 -2.156 1.00 0.00 C ATOM 343 C VAL A 23 -3.365 -8.175 -2.536 1.00 0.00 C ATOM 344 O VAL A 23 -4.186 -7.373 -2.869 1.00 0.00 O ATOM 345 CB VAL A 23 -2.166 -6.922 -0.840 1.00 0.00 C ATOM 346 CG1 VAL A 23 -2.485 -7.802 0.358 1.00 0.00 C ATOM 347 CG2 VAL A 23 -1.043 -5.981 -0.559 1.00 0.00 C ATOM 0 H VAL A 23 -2.129 -6.272 -3.659 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.275 -8.547 -2.024 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.050 -6.308 -1.010 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.607 -7.180 1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.408 -8.351 0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.669 -8.507 0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.236 -5.452 0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.112 -6.541 -0.473 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.959 -5.261 -1.373 1.00 0.00 H new ATOM 357 N LYS A 24 -3.636 -9.420 -2.437 1.00 0.00 N ATOM 358 CA LYS A 24 -4.954 -9.895 -2.684 1.00 0.00 C ATOM 359 C LYS A 24 -5.749 -9.849 -1.459 1.00 0.00 C ATOM 360 O LYS A 24 -5.436 -10.555 -0.457 1.00 0.00 O ATOM 361 CB LYS A 24 -5.038 -11.280 -3.286 1.00 0.00 C ATOM 362 CG LYS A 24 -4.861 -11.298 -4.778 1.00 0.00 C ATOM 363 CD LYS A 24 -4.933 -12.704 -5.342 1.00 0.00 C ATOM 364 CE LYS A 24 -6.276 -13.373 -5.066 1.00 0.00 C ATOM 365 NZ LYS A 24 -6.309 -14.751 -5.568 1.00 0.00 N ATOM 0 H LYS A 24 -2.960 -10.140 -2.184 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.356 -9.219 -3.439 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.276 -11.912 -2.830 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.005 -11.717 -3.038 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.631 -10.682 -5.242 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.899 -10.853 -5.034 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.761 -12.670 -6.418 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.134 -13.307 -4.910 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.470 -13.372 -3.993 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.073 -12.796 -5.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.237 -15.173 -5.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.149 -14.750 -6.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.564 -15.308 -5.102 1.00 0.00 H new ATOM 379 N LEU A 25 -6.733 -9.013 -1.495 1.00 0.00 N ATOM 380 CA LEU A 25 -7.656 -8.910 -0.421 1.00 0.00 C ATOM 381 C LEU A 25 -9.062 -9.243 -0.911 1.00 0.00 C ATOM 382 O LEU A 25 -9.361 -9.113 -2.103 1.00 0.00 O ATOM 383 CB LEU A 25 -7.621 -7.502 0.168 1.00 0.00 C ATOM 384 CG LEU A 25 -6.272 -7.018 0.684 1.00 0.00 C ATOM 385 CD1 LEU A 25 -6.345 -5.575 1.071 1.00 0.00 C ATOM 386 CD2 LEU A 25 -5.820 -7.839 1.863 1.00 0.00 C ATOM 0 H LEU A 25 -6.918 -8.381 -2.274 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.376 -9.620 0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.966 -6.804 -0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.337 -7.457 0.989 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.546 -7.135 -0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.372 -5.247 1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.626 -4.979 0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.090 -5.446 1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.854 -7.473 2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.552 -7.756 2.666 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.726 -8.883 1.565 1.00 0.00 H new ATOM 398 N MET A 26 -9.871 -9.751 -0.011 1.00 0.00 N ATOM 399 CA MET A 26 -11.283 -9.981 -0.244 1.00 0.00 C ATOM 400 C MET A 26 -11.923 -8.689 -0.061 1.00 0.00 C ATOM 401 O MET A 26 -11.883 -8.144 1.045 1.00 0.00 O ATOM 402 CB MET A 26 -11.888 -10.891 0.814 1.00 0.00 C ATOM 403 CG MET A 26 -13.407 -11.130 0.710 1.00 0.00 C ATOM 404 SD MET A 26 -13.873 -12.713 -0.037 1.00 0.00 S ATOM 405 CE MET A 26 -13.166 -12.594 -1.658 1.00 0.00 C ATOM 0 H MET A 26 -9.563 -10.022 0.923 1.00 0.00 H new ATOM 0 HA MET A 26 -11.419 -10.431 -1.227 1.00 0.00 H new ATOM 0 HB2 MET A 26 -11.384 -11.856 0.766 1.00 0.00 H new ATOM 0 HB3 MET A 26 -11.673 -10.468 1.795 1.00 0.00 H new ATOM 0 HG2 MET A 26 -13.839 -11.074 1.709 1.00 0.00 H new ATOM 0 HG3 MET A 26 -13.849 -10.323 0.125 1.00 0.00 H new ATOM 0 HE1 MET A 26 -13.864 -12.999 -2.390 1.00 0.00 H new ATOM 0 HE2 MET A 26 -12.962 -11.549 -1.890 1.00 0.00 H new ATOM 0 HE3 MET A 26 -12.236 -13.161 -1.692 1.00 0.00 H new ATOM 415 N TYR A 27 -12.469 -8.198 -1.071 1.00 0.00 N ATOM 416 CA TYR A 27 -13.124 -6.971 -1.027 1.00 0.00 C ATOM 417 C TYR A 27 -14.367 -7.141 -1.792 1.00 0.00 C ATOM 418 O TYR A 27 -14.329 -7.735 -2.837 1.00 0.00 O ATOM 419 CB TYR A 27 -12.237 -5.910 -1.660 1.00 0.00 C ATOM 420 CG TYR A 27 -12.970 -4.637 -2.003 1.00 0.00 C ATOM 421 CD1 TYR A 27 -13.345 -3.737 -1.015 1.00 0.00 C ATOM 422 CD2 TYR A 27 -13.345 -4.368 -3.316 1.00 0.00 C ATOM 423 CE1 TYR A 27 -14.060 -2.611 -1.329 1.00 0.00 C ATOM 424 CE2 TYR A 27 -14.073 -3.251 -3.629 1.00 0.00 C ATOM 425 CZ TYR A 27 -14.424 -2.376 -2.635 1.00 0.00 C ATOM 426 OH TYR A 27 -15.178 -1.276 -2.940 1.00 0.00 O ATOM 0 H TYR A 27 -12.478 -8.647 -1.987 1.00 0.00 H new ATOM 0 HA TYR A 27 -13.343 -6.655 -0.007 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.420 -5.676 -0.977 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -11.788 -6.317 -2.566 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -13.070 -3.926 0.012 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -13.057 -5.051 -4.101 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.337 -1.911 -0.555 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -14.368 -3.062 -4.651 1.00 0.00 H new ATOM 0 HH TYR A 27 -14.981 -0.558 -2.303 1.00 0.00 H new ATOM 436 N LYS A 28 -15.485 -6.750 -1.224 1.00 0.00 N ATOM 437 CA LYS A 28 -16.767 -6.773 -1.929 1.00 0.00 C ATOM 438 C LYS A 28 -17.182 -8.226 -2.278 1.00 0.00 C ATOM 439 O LYS A 28 -18.107 -8.475 -3.042 1.00 0.00 O ATOM 440 CB LYS A 28 -16.656 -5.815 -3.163 1.00 0.00 C ATOM 441 CG LYS A 28 -17.811 -5.747 -4.143 1.00 0.00 C ATOM 442 CD LYS A 28 -17.472 -4.777 -5.274 1.00 0.00 C ATOM 443 CE LYS A 28 -18.461 -4.859 -6.425 1.00 0.00 C ATOM 444 NZ LYS A 28 -18.469 -6.200 -7.057 1.00 0.00 N ATOM 0 H LYS A 28 -15.542 -6.407 -0.265 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.575 -6.405 -1.297 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.486 -4.807 -2.784 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.765 -6.100 -3.723 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -18.014 -6.738 -4.550 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -18.716 -5.421 -3.631 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.457 -3.759 -4.884 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.469 -4.991 -5.644 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -19.461 -4.624 -6.061 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.209 -4.107 -7.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.907 -6.138 -7.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.492 -6.545 -7.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -19.013 -6.860 -6.465 1.00 0.00 H new ATOM 458 N GLY A 29 -16.514 -9.168 -1.653 1.00 0.00 N ATOM 459 CA GLY A 29 -16.776 -10.551 -1.922 1.00 0.00 C ATOM 460 C GLY A 29 -16.053 -11.031 -3.164 1.00 0.00 C ATOM 461 O GLY A 29 -16.430 -12.041 -3.769 1.00 0.00 O ATOM 0 H GLY A 29 -15.788 -8.996 -0.957 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.467 -11.152 -1.067 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.849 -10.700 -2.046 1.00 0.00 H new ATOM 465 N GLN A 30 -15.033 -10.300 -3.564 1.00 0.00 N ATOM 466 CA GLN A 30 -14.216 -10.674 -4.683 1.00 0.00 C ATOM 467 C GLN A 30 -12.757 -10.577 -4.243 1.00 0.00 C ATOM 468 O GLN A 30 -12.400 -9.689 -3.434 1.00 0.00 O ATOM 469 CB GLN A 30 -14.496 -9.756 -5.902 1.00 0.00 C ATOM 470 CG GLN A 30 -14.117 -8.303 -5.671 1.00 0.00 C ATOM 471 CD GLN A 30 -14.580 -7.337 -6.749 1.00 0.00 C ATOM 472 OE1 GLN A 30 -14.846 -6.168 -6.477 1.00 0.00 O ATOM 473 NE2 GLN A 30 -14.693 -7.793 -7.948 1.00 0.00 N ATOM 0 H GLN A 30 -14.752 -9.428 -3.116 1.00 0.00 H new ATOM 0 HA GLN A 30 -14.445 -11.692 -4.997 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -13.946 -10.133 -6.764 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -15.556 -9.811 -6.151 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -14.532 -7.983 -4.715 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -13.032 -8.236 -5.586 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -14.466 -8.767 -8.147 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -15.010 -7.180 -8.699 1.00 0.00 H new ATOM 482 N PRO A 31 -11.920 -11.545 -4.616 1.00 0.00 N ATOM 483 CA PRO A 31 -10.506 -11.466 -4.350 1.00 0.00 C ATOM 484 C PRO A 31 -9.909 -10.490 -5.311 1.00 0.00 C ATOM 485 O PRO A 31 -10.061 -10.638 -6.529 1.00 0.00 O ATOM 486 CB PRO A 31 -9.981 -12.876 -4.662 1.00 0.00 C ATOM 487 CG PRO A 31 -11.191 -13.715 -4.795 1.00 0.00 C ATOM 488 CD PRO A 31 -12.267 -12.799 -5.291 1.00 0.00 C ATOM 0 HA PRO A 31 -10.269 -11.151 -3.334 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.393 -12.884 -5.580 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -9.333 -13.241 -3.865 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.023 -14.536 -5.492 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -11.466 -14.160 -3.839 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.251 -12.698 -6.376 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -13.262 -13.150 -5.018 1.00 0.00 H new ATOM 496 N MET A 32 -9.264 -9.507 -4.817 1.00 0.00 N ATOM 497 CA MET A 32 -8.735 -8.527 -5.691 1.00 0.00 C ATOM 498 C MET A 32 -7.329 -8.224 -5.310 1.00 0.00 C ATOM 499 O MET A 32 -7.000 -8.130 -4.109 1.00 0.00 O ATOM 500 CB MET A 32 -9.573 -7.245 -5.693 1.00 0.00 C ATOM 501 CG MET A 32 -9.349 -6.426 -6.970 1.00 0.00 C ATOM 502 SD MET A 32 -10.351 -4.936 -7.087 1.00 0.00 S ATOM 503 CE MET A 32 -9.782 -4.041 -5.665 1.00 0.00 C ATOM 0 H MET A 32 -9.088 -9.356 -3.824 1.00 0.00 H new ATOM 0 HA MET A 32 -8.763 -8.931 -6.703 1.00 0.00 H new ATOM 0 HB2 MET A 32 -10.629 -7.500 -5.604 1.00 0.00 H new ATOM 0 HB3 MET A 32 -9.317 -6.641 -4.823 1.00 0.00 H new ATOM 0 HG2 MET A 32 -8.297 -6.146 -7.027 1.00 0.00 H new ATOM 0 HG3 MET A 32 -9.558 -7.058 -7.833 1.00 0.00 H new ATOM 0 HE1 MET A 32 -9.725 -2.979 -5.902 1.00 0.00 H new ATOM 0 HE2 MET A 32 -10.477 -4.191 -4.839 1.00 0.00 H new ATOM 0 HE3 MET A 32 -8.794 -4.402 -5.379 1.00 0.00 H new ATOM 513 N THR A 33 -6.497 -8.123 -6.298 1.00 0.00 N ATOM 514 CA THR A 33 -5.142 -7.791 -6.102 1.00 0.00 C ATOM 515 C THR A 33 -5.018 -6.283 -5.972 1.00 0.00 C ATOM 516 O THR A 33 -5.048 -5.560 -6.951 1.00 0.00 O ATOM 517 CB THR A 33 -4.300 -8.290 -7.278 1.00 0.00 C ATOM 518 OG1 THR A 33 -4.656 -9.655 -7.547 1.00 0.00 O ATOM 519 CG2 THR A 33 -2.827 -8.219 -6.928 1.00 0.00 C ATOM 0 H THR A 33 -6.754 -8.273 -7.273 1.00 0.00 H new ATOM 0 HA THR A 33 -4.777 -8.268 -5.192 1.00 0.00 H new ATOM 0 HB THR A 33 -4.487 -7.668 -8.153 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.126 -9.989 -8.300 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.235 -8.576 -7.771 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.555 -7.187 -6.705 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.630 -8.843 -6.056 1.00 0.00 H new ATOM 527 N PHE A 34 -4.962 -5.829 -4.765 1.00 0.00 N ATOM 528 CA PHE A 34 -4.819 -4.447 -4.447 1.00 0.00 C ATOM 529 C PHE A 34 -3.406 -3.973 -4.708 1.00 0.00 C ATOM 530 O PHE A 34 -2.456 -4.774 -4.724 1.00 0.00 O ATOM 531 CB PHE A 34 -5.212 -4.157 -3.014 1.00 0.00 C ATOM 532 CG PHE A 34 -6.681 -4.171 -2.728 1.00 0.00 C ATOM 533 CD1 PHE A 34 -7.387 -5.349 -2.632 1.00 0.00 C ATOM 534 CD2 PHE A 34 -7.350 -2.975 -2.544 1.00 0.00 C ATOM 535 CE1 PHE A 34 -8.737 -5.333 -2.357 1.00 0.00 C ATOM 536 CE2 PHE A 34 -8.691 -2.952 -2.268 1.00 0.00 C ATOM 537 CZ PHE A 34 -9.386 -4.130 -2.173 1.00 0.00 C ATOM 0 H PHE A 34 -5.016 -6.431 -3.943 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.498 -3.897 -5.099 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.728 -4.890 -2.369 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.816 -3.179 -2.739 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.879 -6.292 -2.773 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.807 -2.045 -2.619 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -9.286 -6.260 -2.286 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.199 -2.010 -2.126 1.00 0.00 H new ATOM 0 HZ PHE A 34 -10.443 -4.116 -1.954 1.00 0.00 H new ATOM 547 N ARG A 35 -3.295 -2.687 -4.894 1.00 0.00 N ATOM 548 CA ARG A 35 -2.106 -2.003 -5.269 1.00 0.00 C ATOM 549 C ARG A 35 -1.783 -1.015 -4.173 1.00 0.00 C ATOM 550 O ARG A 35 -2.668 -0.272 -3.733 1.00 0.00 O ATOM 551 CB ARG A 35 -2.447 -1.239 -6.558 1.00 0.00 C ATOM 552 CG ARG A 35 -1.305 -0.825 -7.471 1.00 0.00 C ATOM 553 CD ARG A 35 -0.488 0.342 -6.948 1.00 0.00 C ATOM 554 NE ARG A 35 0.405 0.889 -7.992 1.00 0.00 N ATOM 555 CZ ARG A 35 1.615 1.397 -7.783 1.00 0.00 C ATOM 556 NH1 ARG A 35 2.180 1.274 -6.617 1.00 0.00 N ATOM 557 NH2 ARG A 35 2.268 1.987 -8.777 1.00 0.00 N ATOM 0 H ARG A 35 -4.088 -2.056 -4.778 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.261 -2.674 -5.420 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.131 -1.857 -7.140 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.992 -0.338 -6.277 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.645 -1.679 -7.620 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.711 -0.562 -8.448 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.157 1.126 -6.593 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.106 0.018 -6.093 1.00 0.00 H new ATOM 0 HE ARG A 35 0.064 0.875 -8.953 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.694 0.788 -5.864 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.109 1.664 -6.457 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.841 2.050 -9.701 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.197 2.377 -8.617 1.00 0.00 H new ATOM 571 N LEU A 36 -0.552 -0.985 -3.744 1.00 0.00 N ATOM 572 CA LEU A 36 -0.150 -0.048 -2.738 1.00 0.00 C ATOM 573 C LEU A 36 -0.028 1.354 -3.303 1.00 0.00 C ATOM 574 O LEU A 36 0.901 1.682 -4.046 1.00 0.00 O ATOM 575 CB LEU A 36 1.138 -0.464 -2.028 1.00 0.00 C ATOM 576 CG LEU A 36 1.077 -1.643 -1.067 1.00 0.00 C ATOM 577 CD1 LEU A 36 2.412 -1.811 -0.368 1.00 0.00 C ATOM 578 CD2 LEU A 36 0.018 -1.435 -0.039 1.00 0.00 C ATOM 0 H LEU A 36 0.190 -1.601 -4.077 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.940 -0.046 -1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.881 -0.694 -2.792 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.507 0.399 -1.474 1.00 0.00 H new ATOM 0 HG LEU A 36 0.843 -2.537 -1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.360 -2.657 0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.190 -1.992 -1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.647 -0.905 0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.007 -2.290 0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.235 -0.530 0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.950 -1.332 -0.529 1.00 0.00 H new ATOM 590 N LEU A 37 -1.043 2.125 -3.042 1.00 0.00 N ATOM 591 CA LEU A 37 -1.068 3.542 -3.335 1.00 0.00 C ATOM 592 C LEU A 37 0.109 4.268 -2.821 1.00 0.00 C ATOM 593 O LEU A 37 0.462 4.190 -1.643 1.00 0.00 O ATOM 594 CB LEU A 37 -2.341 4.181 -2.822 1.00 0.00 C ATOM 595 CG LEU A 37 -3.386 4.444 -3.863 1.00 0.00 C ATOM 596 CD1 LEU A 37 -2.933 5.413 -4.887 1.00 0.00 C ATOM 597 CD2 LEU A 37 -3.666 3.232 -4.489 1.00 0.00 C ATOM 0 H LEU A 37 -1.901 1.784 -2.609 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.037 3.621 -4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.769 3.536 -2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.086 5.124 -2.339 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.262 4.872 -3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.727 5.568 -5.617 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.690 6.361 -4.408 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.048 5.023 -5.390 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.425 3.385 -5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.758 2.842 -4.950 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.034 2.518 -3.752 1.00 0.00 H new ATOM 609 N LEU A 38 0.692 4.954 -3.740 1.00 0.00 N ATOM 610 CA LEU A 38 1.806 5.823 -3.550 1.00 0.00 C ATOM 611 C LEU A 38 3.077 5.086 -3.167 1.00 0.00 C ATOM 612 O LEU A 38 3.985 5.656 -2.595 1.00 0.00 O ATOM 613 CB LEU A 38 1.516 7.019 -2.613 1.00 0.00 C ATOM 614 CG LEU A 38 0.484 8.045 -3.111 1.00 0.00 C ATOM 615 CD1 LEU A 38 0.790 8.456 -4.550 1.00 0.00 C ATOM 616 CD2 LEU A 38 -0.932 7.523 -2.975 1.00 0.00 C ATOM 0 H LEU A 38 0.384 4.922 -4.712 1.00 0.00 H new ATOM 0 HA LEU A 38 1.985 6.259 -4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.173 6.627 -1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.454 7.542 -2.426 1.00 0.00 H new ATOM 0 HG LEU A 38 0.559 8.931 -2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.050 9.182 -4.886 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.784 8.902 -4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.755 7.578 -5.195 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.633 8.275 -3.337 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.042 6.612 -3.563 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.141 7.306 -1.927 1.00 0.00 H new ATOM 628 N VAL A 39 3.203 3.890 -3.651 1.00 0.00 N ATOM 629 CA VAL A 39 4.242 2.983 -3.197 1.00 0.00 C ATOM 630 C VAL A 39 4.972 2.342 -4.357 1.00 0.00 C ATOM 631 O VAL A 39 4.366 2.013 -5.366 1.00 0.00 O ATOM 632 CB VAL A 39 3.595 1.877 -2.306 1.00 0.00 C ATOM 633 CG1 VAL A 39 4.509 0.722 -2.032 1.00 0.00 C ATOM 634 CG2 VAL A 39 3.157 2.448 -0.995 1.00 0.00 C ATOM 0 H VAL A 39 2.595 3.503 -4.373 1.00 0.00 H new ATOM 0 HA VAL A 39 4.972 3.555 -2.624 1.00 0.00 H new ATOM 0 HB VAL A 39 2.743 1.505 -2.875 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.995 -0.009 -1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.798 0.255 -2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.400 1.078 -1.515 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.708 1.662 -0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.019 2.863 -0.473 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.424 3.236 -1.168 1.00 0.00 H new ATOM 644 N ASP A 40 6.267 2.254 -4.247 1.00 0.00 N ATOM 645 CA ASP A 40 7.052 1.477 -5.193 1.00 0.00 C ATOM 646 C ASP A 40 7.953 0.568 -4.430 1.00 0.00 C ATOM 647 O ASP A 40 8.924 1.032 -3.822 1.00 0.00 O ATOM 648 CB ASP A 40 7.881 2.360 -6.099 1.00 0.00 C ATOM 649 CG ASP A 40 8.503 1.598 -7.274 1.00 0.00 C ATOM 650 OD1 ASP A 40 7.793 0.788 -7.924 1.00 0.00 O ATOM 651 OD2 ASP A 40 9.695 1.849 -7.624 1.00 0.00 O ATOM 0 H ASP A 40 6.812 2.708 -3.514 1.00 0.00 H new ATOM 0 HA ASP A 40 6.367 0.909 -5.823 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.255 3.164 -6.486 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.674 2.827 -5.515 1.00 0.00 H new ATOM 656 N THR A 41 7.585 -0.684 -4.368 1.00 0.00 N ATOM 657 CA THR A 41 8.377 -1.692 -3.686 1.00 0.00 C ATOM 658 C THR A 41 9.444 -2.274 -4.621 1.00 0.00 C ATOM 659 O THR A 41 9.424 -2.011 -5.828 1.00 0.00 O ATOM 660 CB THR A 41 7.480 -2.840 -3.166 1.00 0.00 C ATOM 661 OG1 THR A 41 6.675 -3.370 -4.229 1.00 0.00 O ATOM 662 CG2 THR A 41 6.613 -2.373 -2.021 1.00 0.00 C ATOM 0 H THR A 41 6.727 -1.042 -4.788 1.00 0.00 H new ATOM 0 HA THR A 41 8.865 -1.206 -2.841 1.00 0.00 H new ATOM 0 HB THR A 41 8.127 -3.635 -2.794 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.365 -4.268 -3.988 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.992 -3.199 -1.674 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.245 -2.026 -1.204 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.975 -1.556 -2.358 1.00 0.00 H new ATOM 891 N GLY A 55 12.174 -7.083 -2.052 1.00 0.00 N ATOM 892 CA GLY A 55 10.808 -7.394 -2.352 1.00 0.00 C ATOM 893 C GLY A 55 10.275 -8.430 -1.386 1.00 0.00 C ATOM 894 O GLY A 55 9.161 -8.283 -0.903 1.00 0.00 O ATOM 0 HA2 GLY A 55 10.202 -6.490 -2.295 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.730 -7.766 -3.373 1.00 0.00 H new ATOM 898 N PRO A 56 11.068 -9.510 -1.054 1.00 0.00 N ATOM 899 CA PRO A 56 10.684 -10.494 -0.036 1.00 0.00 C ATOM 900 C PRO A 56 10.395 -9.839 1.319 1.00 0.00 C ATOM 901 O PRO A 56 9.555 -10.301 2.066 1.00 0.00 O ATOM 902 CB PRO A 56 11.941 -11.376 0.060 1.00 0.00 C ATOM 903 CG PRO A 56 13.015 -10.545 -0.501 1.00 0.00 C ATOM 904 CD PRO A 56 12.361 -9.920 -1.659 1.00 0.00 C ATOM 0 HA PRO A 56 9.772 -11.032 -0.295 1.00 0.00 H new ATOM 0 HB2 PRO A 56 12.153 -11.655 1.092 1.00 0.00 H new ATOM 0 HB3 PRO A 56 11.820 -12.302 -0.502 1.00 0.00 H new ATOM 0 HG2 PRO A 56 13.370 -9.803 0.214 1.00 0.00 H new ATOM 0 HG3 PRO A 56 13.878 -11.142 -0.796 1.00 0.00 H new ATOM 0 HD2 PRO A 56 12.925 -9.071 -2.045 1.00 0.00 H new ATOM 0 HD3 PRO A 56 12.229 -10.617 -2.486 1.00 0.00 H new ATOM 912 N GLU A 57 11.092 -8.755 1.612 1.00 0.00 N ATOM 913 CA GLU A 57 10.906 -8.032 2.851 1.00 0.00 C ATOM 914 C GLU A 57 9.648 -7.177 2.749 1.00 0.00 C ATOM 915 O GLU A 57 8.824 -7.174 3.645 1.00 0.00 O ATOM 916 CB GLU A 57 12.140 -7.173 3.154 1.00 0.00 C ATOM 917 CG GLU A 57 12.082 -6.407 4.473 1.00 0.00 C ATOM 918 CD GLU A 57 11.994 -7.296 5.681 1.00 0.00 C ATOM 919 OE1 GLU A 57 13.028 -7.813 6.117 1.00 0.00 O ATOM 920 OE2 GLU A 57 10.903 -7.463 6.243 1.00 0.00 O ATOM 0 H GLU A 57 11.800 -8.355 0.997 1.00 0.00 H new ATOM 0 HA GLU A 57 10.784 -8.736 3.674 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.019 -7.817 3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.276 -6.459 2.342 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.969 -5.779 4.558 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.220 -5.741 4.459 1.00 0.00 H new ATOM 927 N ALA A 58 9.495 -6.496 1.622 1.00 0.00 N ATOM 928 CA ALA A 58 8.324 -5.654 1.354 1.00 0.00 C ATOM 929 C ALA A 58 7.054 -6.472 1.435 1.00 0.00 C ATOM 930 O ALA A 58 6.135 -6.160 2.208 1.00 0.00 O ATOM 931 CB ALA A 58 8.438 -5.025 -0.027 1.00 0.00 C ATOM 0 H ALA A 58 10.177 -6.508 0.863 1.00 0.00 H new ATOM 0 HA ALA A 58 8.286 -4.867 2.107 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.564 -4.402 -0.216 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.338 -4.412 -0.074 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.494 -5.810 -0.781 1.00 0.00 H new ATOM 937 N SER A 59 7.048 -7.557 0.693 1.00 0.00 N ATOM 938 CA SER A 59 5.914 -8.450 0.612 1.00 0.00 C ATOM 939 C SER A 59 5.625 -9.016 1.984 1.00 0.00 C ATOM 940 O SER A 59 4.474 -9.129 2.381 1.00 0.00 O ATOM 941 CB SER A 59 6.183 -9.609 -0.371 1.00 0.00 C ATOM 942 OG SER A 59 4.974 -10.275 -0.738 1.00 0.00 O ATOM 0 H SER A 59 7.841 -7.848 0.121 1.00 0.00 H new ATOM 0 HA SER A 59 5.057 -7.883 0.248 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.673 -9.223 -1.265 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.869 -10.323 0.085 1.00 0.00 H new ATOM 0 HG SER A 59 4.978 -10.452 -1.702 1.00 0.00 H new ATOM 948 N ALA A 60 6.676 -9.279 2.748 1.00 0.00 N ATOM 949 CA ALA A 60 6.500 -9.880 4.028 1.00 0.00 C ATOM 950 C ALA A 60 6.108 -8.876 5.056 1.00 0.00 C ATOM 951 O ALA A 60 5.488 -9.221 6.015 1.00 0.00 O ATOM 952 CB ALA A 60 7.688 -10.697 4.463 1.00 0.00 C ATOM 0 H ALA A 60 7.643 -9.082 2.492 1.00 0.00 H new ATOM 0 HA ALA A 60 5.674 -10.584 3.925 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.493 -11.128 5.445 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.863 -11.497 3.743 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.569 -10.058 4.516 1.00 0.00 H new ATOM 958 N PHE A 61 6.467 -7.635 4.859 1.00 0.00 N ATOM 959 CA PHE A 61 6.046 -6.594 5.760 1.00 0.00 C ATOM 960 C PHE A 61 4.587 -6.285 5.498 1.00 0.00 C ATOM 961 O PHE A 61 3.781 -6.117 6.449 1.00 0.00 O ATOM 962 CB PHE A 61 6.886 -5.348 5.590 1.00 0.00 C ATOM 963 CG PHE A 61 6.700 -4.376 6.714 1.00 0.00 C ATOM 964 CD1 PHE A 61 5.681 -3.461 6.679 1.00 0.00 C ATOM 965 CD2 PHE A 61 7.531 -4.402 7.814 1.00 0.00 C ATOM 966 CE1 PHE A 61 5.480 -2.587 7.707 1.00 0.00 C ATOM 967 CE2 PHE A 61 7.342 -3.520 8.860 1.00 0.00 C ATOM 968 CZ PHE A 61 6.308 -2.609 8.807 1.00 0.00 C ATOM 0 H PHE A 61 7.050 -7.320 4.083 1.00 0.00 H new ATOM 0 HA PHE A 61 6.176 -6.937 6.786 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.937 -5.628 5.526 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.627 -4.864 4.648 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.025 -3.431 5.822 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.337 -5.119 7.858 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.669 -1.876 7.658 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.001 -3.544 9.715 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.149 -1.918 9.622 1.00 0.00 H new ATOM 978 N THR A 62 4.231 -6.231 4.216 1.00 0.00 N ATOM 979 CA THR A 62 2.861 -6.038 3.848 1.00 0.00 C ATOM 980 C THR A 62 2.051 -7.210 4.428 1.00 0.00 C ATOM 981 O THR A 62 1.064 -7.008 5.186 1.00 0.00 O ATOM 982 CB THR A 62 2.692 -5.939 2.292 1.00 0.00 C ATOM 983 OG1 THR A 62 3.569 -4.935 1.794 1.00 0.00 O ATOM 984 CG2 THR A 62 1.283 -5.535 1.957 1.00 0.00 C ATOM 0 H THR A 62 4.878 -6.319 3.433 1.00 0.00 H new ATOM 0 HA THR A 62 2.496 -5.094 4.253 1.00 0.00 H new ATOM 0 HB THR A 62 2.919 -6.908 1.846 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.488 -5.275 1.794 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.171 -5.468 0.875 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.589 -6.279 2.348 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.066 -4.565 2.405 1.00 0.00 H new ATOM 992 N LYS A 63 2.578 -8.427 4.206 1.00 0.00 N ATOM 993 CA LYS A 63 1.931 -9.639 4.664 1.00 0.00 C ATOM 994 C LYS A 63 1.866 -9.648 6.169 1.00 0.00 C ATOM 995 O LYS A 63 0.876 -10.062 6.728 1.00 0.00 O ATOM 996 CB LYS A 63 2.604 -10.904 4.095 1.00 0.00 C ATOM 997 CG LYS A 63 3.466 -11.677 5.047 1.00 0.00 C ATOM 998 CD LYS A 63 4.232 -12.738 4.329 1.00 0.00 C ATOM 999 CE LYS A 63 4.927 -13.629 5.318 1.00 0.00 C ATOM 1000 NZ LYS A 63 5.730 -14.676 4.653 1.00 0.00 N ATOM 0 H LYS A 63 3.455 -8.583 3.709 1.00 0.00 H new ATOM 0 HA LYS A 63 0.910 -9.652 4.283 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.825 -11.568 3.721 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.213 -10.613 3.239 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.157 -11.000 5.550 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.845 -12.131 5.820 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.558 -13.327 3.708 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.963 -12.282 3.662 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.574 -13.027 5.956 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.187 -14.097 5.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.192 -15.268 5.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.110 -15.268 4.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.454 -14.230 4.054 1.00 0.00 H new ATOM 1014 N LYS A 64 2.919 -9.125 6.803 1.00 0.00 N ATOM 1015 CA LYS A 64 2.997 -8.975 8.213 1.00 0.00 C ATOM 1016 C LYS A 64 1.792 -8.168 8.628 1.00 0.00 C ATOM 1017 O LYS A 64 0.882 -8.693 9.219 1.00 0.00 O ATOM 1018 CB LYS A 64 4.339 -8.250 8.561 1.00 0.00 C ATOM 1019 CG LYS A 64 4.729 -8.039 10.023 1.00 0.00 C ATOM 1020 CD LYS A 64 3.835 -7.077 10.760 1.00 0.00 C ATOM 1021 CE LYS A 64 4.375 -6.795 12.147 1.00 0.00 C ATOM 1022 NZ LYS A 64 3.478 -5.933 12.931 1.00 0.00 N ATOM 0 H LYS A 64 3.750 -8.793 6.314 1.00 0.00 H new ATOM 0 HA LYS A 64 2.993 -9.928 8.742 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.144 -8.811 8.087 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.312 -7.269 8.087 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.712 -9.001 10.536 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.755 -7.672 10.066 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.755 -6.145 10.200 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.830 -7.492 10.834 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.523 -7.737 12.675 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.352 -6.319 12.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.988 -5.561 13.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.153 -5.141 12.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.657 -6.486 13.251 1.00 0.00 H new ATOM 1036 N MET A 65 1.725 -6.932 8.182 1.00 0.00 N ATOM 1037 CA MET A 65 0.628 -6.049 8.587 1.00 0.00 C ATOM 1038 C MET A 65 -0.722 -6.643 8.304 1.00 0.00 C ATOM 1039 O MET A 65 -1.609 -6.606 9.149 1.00 0.00 O ATOM 1040 CB MET A 65 0.729 -4.715 7.916 1.00 0.00 C ATOM 1041 CG MET A 65 1.954 -3.968 8.324 1.00 0.00 C ATOM 1042 SD MET A 65 2.125 -2.358 7.548 1.00 0.00 S ATOM 1043 CE MET A 65 0.813 -1.451 8.347 1.00 0.00 C ATOM 0 H MET A 65 2.403 -6.510 7.547 1.00 0.00 H new ATOM 0 HA MET A 65 0.726 -5.923 9.665 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.734 -4.854 6.835 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.153 -4.122 8.157 1.00 0.00 H new ATOM 0 HG2 MET A 65 1.944 -3.838 9.406 1.00 0.00 H new ATOM 0 HG3 MET A 65 2.830 -4.570 8.084 1.00 0.00 H new ATOM 0 HE1 MET A 65 0.019 -1.251 7.628 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.414 -2.040 9.173 1.00 0.00 H new ATOM 0 HE3 MET A 65 1.203 -0.508 8.729 1.00 0.00 H new ATOM 1053 N VAL A 66 -0.839 -7.312 7.200 1.00 0.00 N ATOM 1054 CA VAL A 66 -2.156 -7.787 6.804 1.00 0.00 C ATOM 1055 C VAL A 66 -2.530 -9.105 7.464 1.00 0.00 C ATOM 1056 O VAL A 66 -3.690 -9.465 7.531 1.00 0.00 O ATOM 1057 CB VAL A 66 -2.400 -7.804 5.280 1.00 0.00 C ATOM 1058 CG1 VAL A 66 -2.430 -6.383 4.736 1.00 0.00 C ATOM 1059 CG2 VAL A 66 -1.344 -8.603 4.563 1.00 0.00 C ATOM 0 H VAL A 66 -0.075 -7.543 6.565 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.842 -7.032 7.189 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.365 -8.280 5.103 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.603 -6.409 3.660 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.232 -5.825 5.219 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.476 -5.896 4.939 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.546 -8.594 3.492 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.365 -8.163 4.751 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.356 -9.631 4.926 1.00 0.00 H new ATOM 1069 N GLU A 67 -1.549 -9.810 7.948 1.00 0.00 N ATOM 1070 CA GLU A 67 -1.783 -11.011 8.737 1.00 0.00 C ATOM 1071 C GLU A 67 -1.950 -10.655 10.186 1.00 0.00 C ATOM 1072 O GLU A 67 -2.634 -11.351 10.950 1.00 0.00 O ATOM 1073 CB GLU A 67 -0.625 -11.958 8.594 1.00 0.00 C ATOM 1074 CG GLU A 67 -0.660 -12.777 7.330 1.00 0.00 C ATOM 1075 CD GLU A 67 -1.599 -13.940 7.478 1.00 0.00 C ATOM 1076 OE1 GLU A 67 -2.795 -13.824 7.173 1.00 0.00 O ATOM 1077 OE2 GLU A 67 -1.141 -14.994 7.966 1.00 0.00 O ATOM 0 H GLU A 67 -0.564 -9.580 7.815 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.692 -11.490 8.373 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.304 -11.388 8.620 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.610 -12.631 9.451 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.976 -12.152 6.494 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.341 -13.139 7.097 1.00 0.00 H new ATOM 1084 N ASN A 68 -1.320 -9.568 10.569 1.00 0.00 N ATOM 1085 CA ASN A 68 -1.315 -9.113 11.905 1.00 0.00 C ATOM 1086 C ASN A 68 -2.556 -8.366 12.187 1.00 0.00 C ATOM 1087 O ASN A 68 -3.077 -8.389 13.299 1.00 0.00 O ATOM 1088 CB ASN A 68 -0.105 -8.231 12.117 1.00 0.00 C ATOM 1089 CG ASN A 68 1.202 -8.966 12.209 1.00 0.00 C ATOM 1090 OD1 ASN A 68 2.086 -8.575 12.955 1.00 0.00 O ATOM 1091 ND2 ASN A 68 1.343 -9.986 11.413 1.00 0.00 N ATOM 0 H ASN A 68 -0.790 -8.975 9.931 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.266 -9.962 12.586 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -0.046 -7.515 11.297 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -0.248 -7.656 13.032 1.00 0.00 H new ATOM 0 HD21 ASN A 68 2.224 -10.499 11.393 1.00 0.00 H new ATOM 0 HD22 ASN A 68 0.572 -10.272 10.809 1.00 0.00 H new ATOM 1098 N ALA A 69 -3.051 -7.722 11.186 1.00 0.00 N ATOM 1099 CA ALA A 69 -4.223 -6.992 11.325 1.00 0.00 C ATOM 1100 C ALA A 69 -5.391 -7.855 11.029 1.00 0.00 C ATOM 1101 O ALA A 69 -5.375 -8.652 10.115 1.00 0.00 O ATOM 1102 CB ALA A 69 -4.221 -5.821 10.410 1.00 0.00 C ATOM 0 H ALA A 69 -2.639 -7.699 10.253 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.288 -6.633 12.352 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.148 -5.261 10.534 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.374 -5.177 10.645 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.140 -6.165 9.379 1.00 0.00 H new ATOM 1108 N LYS A 70 -6.348 -7.771 11.853 1.00 0.00 N ATOM 1109 CA LYS A 70 -7.617 -8.409 11.625 1.00 0.00 C ATOM 1110 C LYS A 70 -8.537 -7.407 10.957 1.00 0.00 C ATOM 1111 O LYS A 70 -9.563 -7.760 10.382 1.00 0.00 O ATOM 1112 CB LYS A 70 -8.246 -8.898 12.938 1.00 0.00 C ATOM 1113 CG LYS A 70 -7.816 -10.281 13.502 1.00 0.00 C ATOM 1114 CD LYS A 70 -6.326 -10.432 13.857 1.00 0.00 C ATOM 1115 CE LYS A 70 -5.447 -10.753 12.647 1.00 0.00 C ATOM 1116 NZ LYS A 70 -5.805 -12.031 11.992 1.00 0.00 N ATOM 0 H LYS A 70 -6.294 -7.252 12.730 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.468 -9.282 10.989 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.038 -8.150 13.703 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.327 -8.919 12.799 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.405 -10.485 14.396 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.074 -11.046 12.769 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.974 -9.510 14.319 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.214 -11.223 14.599 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.529 -9.944 11.921 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.405 -10.793 12.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.957 -12.627 11.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.521 -12.525 12.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.189 -11.840 11.045 1.00 0.00 H new ATOM 1130 N LYS A 71 -8.143 -6.151 11.015 1.00 0.00 N ATOM 1131 CA LYS A 71 -8.942 -5.099 10.440 1.00 0.00 C ATOM 1132 C LYS A 71 -8.273 -4.582 9.240 1.00 0.00 C ATOM 1133 O LYS A 71 -7.505 -3.624 9.324 1.00 0.00 O ATOM 1134 CB LYS A 71 -9.084 -3.924 11.362 1.00 0.00 C ATOM 1135 CG LYS A 71 -10.391 -3.194 11.236 1.00 0.00 C ATOM 1136 CD LYS A 71 -10.473 -2.071 12.247 1.00 0.00 C ATOM 1137 CE LYS A 71 -11.885 -1.518 12.396 1.00 0.00 C ATOM 1138 NZ LYS A 71 -12.462 -1.051 11.131 1.00 0.00 N ATOM 0 H LYS A 71 -7.277 -5.839 11.454 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.920 -5.532 10.230 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.971 -4.268 12.390 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.271 -3.225 11.169 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.493 -2.792 10.228 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.218 -3.888 11.388 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.124 -2.432 13.215 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.802 -1.267 11.946 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.528 -2.291 12.817 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.871 -0.692 13.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.440 -0.735 11.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.898 -0.259 10.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.458 -1.828 10.440 1.00 0.00 H new ATOM 1152 N ILE A 72 -8.434 -5.201 8.157 1.00 0.00 N ATOM 1153 CA ILE A 72 -7.891 -4.613 7.032 1.00 0.00 C ATOM 1154 C ILE A 72 -8.920 -3.841 6.332 1.00 0.00 C ATOM 1155 O ILE A 72 -9.928 -4.377 5.851 1.00 0.00 O ATOM 1156 CB ILE A 72 -7.121 -5.534 6.098 1.00 0.00 C ATOM 1157 CG1 ILE A 72 -6.020 -6.229 6.881 1.00 0.00 C ATOM 1158 CG2 ILE A 72 -6.532 -4.731 4.935 1.00 0.00 C ATOM 1159 CD1 ILE A 72 -6.423 -7.579 7.411 1.00 0.00 C ATOM 0 H ILE A 72 -8.922 -6.087 8.027 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.111 -3.946 7.399 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.794 -6.285 5.685 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.146 -6.345 6.240 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.721 -5.594 7.715 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -5.983 -5.400 4.272 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.338 -4.251 4.380 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.856 -3.970 5.324 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.590 -8.018 7.959 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.278 -7.468 8.078 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.694 -8.230 6.580 1.00 0.00 H new ATOM 1171 N GLU A 73 -8.747 -2.593 6.414 1.00 0.00 N ATOM 1172 CA GLU A 73 -9.570 -1.696 5.694 1.00 0.00 C ATOM 1173 C GLU A 73 -8.879 -1.150 4.513 1.00 0.00 C ATOM 1174 O GLU A 73 -7.650 -1.140 4.415 1.00 0.00 O ATOM 1175 CB GLU A 73 -10.079 -0.584 6.534 1.00 0.00 C ATOM 1176 CG GLU A 73 -11.145 -1.022 7.496 1.00 0.00 C ATOM 1177 CD GLU A 73 -11.567 0.040 8.447 1.00 0.00 C ATOM 1178 OE1 GLU A 73 -10.844 0.296 9.426 1.00 0.00 O ATOM 1179 OE2 GLU A 73 -12.662 0.588 8.300 1.00 0.00 O ATOM 0 H GLU A 73 -8.027 -2.148 6.984 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.426 -2.284 5.363 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.250 -0.147 7.091 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.478 0.199 5.889 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.015 -1.358 6.932 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.781 -1.880 8.062 1.00 0.00 H new ATOM 1186 N VAL A 74 -9.665 -0.702 3.637 1.00 0.00 N ATOM 1187 CA VAL A 74 -9.251 -0.140 2.425 1.00 0.00 C ATOM 1188 C VAL A 74 -9.960 1.175 2.251 1.00 0.00 C ATOM 1189 O VAL A 74 -10.968 1.432 2.916 1.00 0.00 O ATOM 1190 CB VAL A 74 -9.616 -1.067 1.248 1.00 0.00 C ATOM 1191 CG1 VAL A 74 -8.827 -2.357 1.297 1.00 0.00 C ATOM 1192 CG2 VAL A 74 -11.091 -1.385 1.305 1.00 0.00 C ATOM 0 H VAL A 74 -10.679 -0.716 3.748 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.170 -0.001 2.438 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.372 -0.552 0.319 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -9.108 -2.988 0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.761 -2.134 1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.042 -2.880 2.229 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -11.354 -2.040 0.475 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -11.320 -1.883 2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -11.665 -0.461 1.234 1.00 0.00 H new ATOM 1202 N GLU A 75 -9.425 1.998 1.421 1.00 0.00 N ATOM 1203 CA GLU A 75 -10.026 3.254 1.092 1.00 0.00 C ATOM 1204 C GLU A 75 -9.648 3.589 -0.319 1.00 0.00 C ATOM 1205 O GLU A 75 -8.527 3.979 -0.570 1.00 0.00 O ATOM 1206 CB GLU A 75 -9.519 4.328 2.035 1.00 0.00 C ATOM 1207 CG GLU A 75 -10.172 5.678 1.874 1.00 0.00 C ATOM 1208 CD GLU A 75 -9.684 6.697 2.879 1.00 0.00 C ATOM 1209 OE1 GLU A 75 -8.470 6.886 3.013 1.00 0.00 O ATOM 1210 OE2 GLU A 75 -10.523 7.324 3.577 1.00 0.00 O ATOM 0 H GLU A 75 -8.543 1.821 0.940 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.110 3.196 1.189 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.667 3.989 3.060 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.445 4.441 1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.981 6.049 0.867 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.252 5.567 1.973 1.00 0.00 H new ATOM 1217 N PHE A 76 -10.536 3.349 -1.248 1.00 0.00 N ATOM 1218 CA PHE A 76 -10.247 3.642 -2.639 1.00 0.00 C ATOM 1219 C PHE A 76 -9.984 5.089 -2.845 1.00 0.00 C ATOM 1220 O PHE A 76 -10.707 5.946 -2.305 1.00 0.00 O ATOM 1221 CB PHE A 76 -11.323 3.135 -3.557 1.00 0.00 C ATOM 1222 CG PHE A 76 -11.278 1.653 -3.721 1.00 0.00 C ATOM 1223 CD1 PHE A 76 -11.791 0.809 -2.755 1.00 0.00 C ATOM 1224 CD2 PHE A 76 -10.686 1.099 -4.840 1.00 0.00 C ATOM 1225 CE1 PHE A 76 -11.713 -0.547 -2.906 1.00 0.00 C ATOM 1226 CE2 PHE A 76 -10.613 -0.259 -4.998 1.00 0.00 C ATOM 1227 CZ PHE A 76 -11.127 -1.086 -4.027 1.00 0.00 C ATOM 0 H PHE A 76 -11.461 2.954 -1.075 1.00 0.00 H new ATOM 0 HA PHE A 76 -9.335 3.104 -2.898 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -12.298 3.425 -3.165 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.218 3.609 -4.533 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -12.257 1.224 -1.874 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -10.275 1.746 -5.601 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -12.113 -1.197 -2.142 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.154 -0.679 -5.881 1.00 0.00 H new ATOM 0 HZ PHE A 76 -11.070 -2.158 -4.145 1.00 0.00 H new ATOM 1237 N ASP A 77 -8.977 5.360 -3.645 1.00 0.00 N ATOM 1238 CA ASP A 77 -8.492 6.715 -3.801 1.00 0.00 C ATOM 1239 C ASP A 77 -9.354 7.476 -4.785 1.00 0.00 C ATOM 1240 O ASP A 77 -10.428 7.016 -5.188 1.00 0.00 O ATOM 1241 CB ASP A 77 -7.034 6.774 -4.232 1.00 0.00 C ATOM 1242 CG ASP A 77 -6.322 8.074 -3.758 1.00 0.00 C ATOM 1243 OD1 ASP A 77 -6.438 9.086 -4.444 1.00 0.00 O ATOM 1244 OD2 ASP A 77 -5.670 8.098 -2.699 1.00 0.00 O ATOM 0 H ASP A 77 -8.478 4.662 -4.197 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.556 7.184 -2.819 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.506 5.908 -3.832 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.977 6.709 -5.319 1.00 0.00 H new ATOM 1249 N LYS A 78 -8.881 8.581 -5.216 1.00 0.00 N ATOM 1250 CA LYS A 78 -9.706 9.495 -5.965 1.00 0.00 C ATOM 1251 C LYS A 78 -9.304 9.599 -7.393 1.00 0.00 C ATOM 1252 O LYS A 78 -9.901 10.353 -8.179 1.00 0.00 O ATOM 1253 CB LYS A 78 -9.754 10.871 -5.295 1.00 0.00 C ATOM 1254 CG LYS A 78 -8.399 11.577 -5.266 1.00 0.00 C ATOM 1255 CD LYS A 78 -8.369 12.824 -4.386 1.00 0.00 C ATOM 1256 CE LYS A 78 -8.460 12.469 -2.909 1.00 0.00 C ATOM 1257 NZ LYS A 78 -8.269 13.647 -2.036 1.00 0.00 N ATOM 0 H LYS A 78 -7.921 8.892 -5.070 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.714 9.080 -5.961 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.472 11.499 -5.822 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.119 10.758 -4.274 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.643 10.876 -4.912 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.124 11.856 -6.283 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.449 13.379 -4.572 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.197 13.480 -4.655 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.433 12.022 -2.704 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.707 11.717 -2.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.339 13.356 -1.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.331 14.060 -2.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.002 14.355 -2.243 1.00 0.00 H new ATOM 1271 N GLY A 79 -8.346 8.870 -7.749 1.00 0.00 N ATOM 1272 CA GLY A 79 -7.885 8.944 -9.075 1.00 0.00 C ATOM 1273 C GLY A 79 -8.337 7.813 -9.915 1.00 0.00 C ATOM 1274 O GLY A 79 -8.824 7.993 -11.013 1.00 0.00 O ATOM 0 H GLY A 79 -7.855 8.208 -7.148 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.228 9.878 -9.520 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.795 8.973 -9.073 1.00 0.00 H new ATOM 1278 N GLN A 80 -8.160 6.639 -9.385 1.00 0.00 N ATOM 1279 CA GLN A 80 -8.369 5.435 -10.093 1.00 0.00 C ATOM 1280 C GLN A 80 -8.695 4.386 -9.061 1.00 0.00 C ATOM 1281 O GLN A 80 -8.526 4.645 -7.881 1.00 0.00 O ATOM 1282 CB GLN A 80 -7.060 5.078 -10.793 1.00 0.00 C ATOM 1283 CG GLN A 80 -7.246 4.237 -12.024 1.00 0.00 C ATOM 1284 CD GLN A 80 -7.903 5.032 -13.134 1.00 0.00 C ATOM 1285 OE1 GLN A 80 -8.651 4.492 -13.940 1.00 0.00 O ATOM 1286 NE2 GLN A 80 -7.583 6.311 -13.200 1.00 0.00 N ATOM 0 H GLN A 80 -7.858 6.501 -8.421 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.168 5.513 -10.830 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.541 5.997 -11.066 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.417 4.545 -10.093 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -6.279 3.864 -12.363 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.857 3.367 -11.785 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -6.956 6.716 -12.505 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -7.963 6.894 -13.946 1.00 0.00 H new ATOM 1295 N ARG A 81 -9.196 3.241 -9.471 1.00 0.00 N ATOM 1296 CA ARG A 81 -9.483 2.173 -8.507 1.00 0.00 C ATOM 1297 C ARG A 81 -8.636 0.941 -8.819 1.00 0.00 C ATOM 1298 O ARG A 81 -8.509 0.043 -8.023 1.00 0.00 O ATOM 1299 CB ARG A 81 -10.978 1.800 -8.515 1.00 0.00 C ATOM 1300 CG ARG A 81 -11.936 2.981 -8.386 1.00 0.00 C ATOM 1301 CD ARG A 81 -11.578 3.855 -7.202 1.00 0.00 C ATOM 1302 NE ARG A 81 -12.536 4.952 -6.967 1.00 0.00 N ATOM 1303 CZ ARG A 81 -12.597 6.111 -7.654 1.00 0.00 C ATOM 1304 NH1 ARG A 81 -12.005 6.231 -8.839 1.00 0.00 N ATOM 1305 NH2 ARG A 81 -13.320 7.123 -7.186 1.00 0.00 N ATOM 0 H ARG A 81 -9.413 3.017 -10.442 1.00 0.00 H new ATOM 0 HA ARG A 81 -9.231 2.541 -7.513 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -11.200 1.270 -9.441 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -11.169 1.105 -7.697 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -11.910 3.575 -9.300 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -12.956 2.614 -8.274 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -11.522 3.235 -6.307 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -10.586 4.278 -7.360 1.00 0.00 H new ATOM 0 HE ARG A 81 -13.214 4.822 -6.216 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -11.498 5.441 -9.238 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -12.058 7.113 -9.349 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -13.829 7.023 -6.307 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -13.366 8.000 -7.705 1.00 0.00 H new ATOM 1319 N THR A 82 -8.049 0.946 -9.982 1.00 0.00 N ATOM 1320 CA THR A 82 -7.209 -0.113 -10.502 1.00 0.00 C ATOM 1321 C THR A 82 -5.972 0.457 -11.300 1.00 0.00 C ATOM 1322 O THR A 82 -6.139 1.270 -12.202 1.00 0.00 O ATOM 1323 CB THR A 82 -8.036 -1.064 -11.401 1.00 0.00 C ATOM 1324 OG1 THR A 82 -8.831 -0.308 -12.333 1.00 0.00 O ATOM 1325 CG2 THR A 82 -8.933 -1.988 -10.585 1.00 0.00 C ATOM 0 H THR A 82 -8.144 1.726 -10.632 1.00 0.00 H new ATOM 0 HA THR A 82 -6.822 -0.673 -9.651 1.00 0.00 H new ATOM 0 HB THR A 82 -7.328 -1.687 -11.948 1.00 0.00 H new ATOM 0 HG1 THR A 82 -8.306 0.446 -12.674 1.00 0.00 H new ATOM 0 HG21 THR A 82 -9.494 -2.637 -11.257 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.320 -2.597 -9.921 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.627 -1.392 -9.993 1.00 0.00 H new ATOM 1333 N ASP A 83 -4.738 0.041 -10.926 1.00 0.00 N ATOM 1334 CA ASP A 83 -3.484 0.532 -11.592 1.00 0.00 C ATOM 1335 C ASP A 83 -2.708 -0.510 -12.459 1.00 0.00 C ATOM 1336 O ASP A 83 -3.191 -0.866 -13.516 1.00 0.00 O ATOM 1337 CB ASP A 83 -2.575 1.262 -10.580 1.00 0.00 C ATOM 1338 CG ASP A 83 -1.150 1.630 -11.035 1.00 0.00 C ATOM 1339 OD1 ASP A 83 -0.955 2.581 -11.783 1.00 0.00 O ATOM 1340 OD2 ASP A 83 -0.198 0.942 -10.581 1.00 0.00 O ATOM 0 H ASP A 83 -4.573 -0.628 -10.174 1.00 0.00 H new ATOM 0 HA ASP A 83 -3.829 1.247 -12.339 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.079 2.180 -10.278 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.493 0.637 -9.691 1.00 0.00 H new ATOM 1345 N LYS A 84 -1.555 -1.051 -11.921 1.00 0.00 N ATOM 1346 CA LYS A 84 -0.535 -1.885 -12.657 1.00 0.00 C ATOM 1347 C LYS A 84 -1.093 -2.663 -13.816 1.00 0.00 C ATOM 1348 O LYS A 84 -0.807 -2.389 -14.968 1.00 0.00 O ATOM 1349 CB LYS A 84 0.202 -2.864 -11.720 1.00 0.00 C ATOM 1350 CG LYS A 84 1.115 -2.252 -10.679 1.00 0.00 C ATOM 1351 CD LYS A 84 1.889 -3.346 -9.951 1.00 0.00 C ATOM 1352 CE LYS A 84 2.948 -2.778 -9.021 1.00 0.00 C ATOM 1353 NZ LYS A 84 2.359 -1.950 -7.958 1.00 0.00 N ATOM 0 H LYS A 84 -1.307 -0.914 -10.941 1.00 0.00 H new ATOM 0 HA LYS A 84 0.164 -1.149 -13.055 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.544 -3.469 -11.205 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.793 -3.543 -12.334 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.810 -1.560 -11.155 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.529 -1.674 -9.965 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.195 -3.959 -9.377 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.363 -4.001 -10.682 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.513 -3.595 -8.573 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.654 -2.180 -9.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.112 -1.421 -7.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.680 -1.282 -8.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.869 -2.561 -7.274 1.00 0.00 H new ATOM 1367 N TYR A 85 -1.882 -3.609 -13.485 1.00 0.00 N ATOM 1368 CA TYR A 85 -2.529 -4.471 -14.445 1.00 0.00 C ATOM 1369 C TYR A 85 -3.960 -4.484 -14.025 1.00 0.00 C ATOM 1370 O TYR A 85 -4.653 -5.487 -14.081 1.00 0.00 O ATOM 1371 CB TYR A 85 -1.920 -5.887 -14.385 1.00 0.00 C ATOM 1372 CG TYR A 85 -0.415 -5.928 -14.612 1.00 0.00 C ATOM 1373 CD1 TYR A 85 0.125 -6.046 -15.889 1.00 0.00 C ATOM 1374 CD2 TYR A 85 0.461 -5.838 -13.544 1.00 0.00 C ATOM 1375 CE1 TYR A 85 1.497 -6.073 -16.083 1.00 0.00 C ATOM 1376 CE2 TYR A 85 1.823 -5.863 -13.728 1.00 0.00 C ATOM 1377 CZ TYR A 85 2.339 -5.980 -14.992 1.00 0.00 C ATOM 1378 OH TYR A 85 3.709 -6.004 -15.165 1.00 0.00 O ATOM 0 H TYR A 85 -2.115 -3.827 -12.516 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.408 -4.128 -15.472 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -2.142 -6.325 -13.412 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.407 -6.512 -15.134 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -0.535 -6.118 -16.741 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.065 -5.746 -12.543 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.904 -6.166 -17.079 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.485 -5.791 -12.878 1.00 0.00 H new ATOM 0 HH TYR A 85 4.150 -5.927 -14.293 1.00 0.00 H new ATOM 1388 N GLY A 86 -4.381 -3.322 -13.589 1.00 0.00 N ATOM 1389 CA GLY A 86 -5.668 -3.134 -13.039 1.00 0.00 C ATOM 1390 C GLY A 86 -5.748 -3.692 -11.638 1.00 0.00 C ATOM 1391 O GLY A 86 -6.717 -4.336 -11.262 1.00 0.00 O ATOM 0 H GLY A 86 -3.815 -2.474 -13.614 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.909 -2.071 -13.025 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -6.411 -3.621 -13.670 1.00 0.00 H new ATOM 1395 N ARG A 87 -4.693 -3.470 -10.872 1.00 0.00 N ATOM 1396 CA ARG A 87 -4.663 -3.872 -9.470 1.00 0.00 C ATOM 1397 C ARG A 87 -5.376 -2.787 -8.686 1.00 0.00 C ATOM 1398 O ARG A 87 -5.303 -1.668 -9.073 1.00 0.00 O ATOM 1399 CB ARG A 87 -3.227 -4.011 -8.979 1.00 0.00 C ATOM 1400 CG ARG A 87 -2.344 -4.885 -9.853 1.00 0.00 C ATOM 1401 CD ARG A 87 -2.911 -6.276 -10.059 1.00 0.00 C ATOM 1402 NE ARG A 87 -2.010 -7.084 -10.868 1.00 0.00 N ATOM 1403 CZ ARG A 87 -2.363 -8.111 -11.653 1.00 0.00 C ATOM 1404 NH1 ARG A 87 -3.645 -8.438 -11.813 1.00 0.00 N ATOM 1405 NH2 ARG A 87 -1.418 -8.791 -12.302 1.00 0.00 N ATOM 0 H ARG A 87 -3.841 -3.012 -11.196 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.148 -4.839 -9.339 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.782 -3.018 -8.912 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.240 -4.423 -7.970 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.212 -4.405 -10.822 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -1.356 -4.964 -9.399 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.070 -6.756 -9.093 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.884 -6.209 -10.546 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.019 -6.847 -10.834 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.371 -7.904 -11.335 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.900 -9.222 -12.413 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.438 -8.528 -12.198 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.675 -9.575 -12.902 1.00 0.00 H new ATOM 1419 N GLY A 88 -5.905 -3.084 -7.553 1.00 0.00 N ATOM 1420 CA GLY A 88 -6.818 -2.210 -6.943 1.00 0.00 C ATOM 1421 C GLY A 88 -6.163 -1.233 -6.113 1.00 0.00 C ATOM 1422 O GLY A 88 -5.663 -1.494 -5.035 1.00 0.00 O ATOM 0 H GLY A 88 -5.713 -3.939 -7.031 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.400 -1.700 -7.711 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.521 -2.784 -6.340 1.00 0.00 H new ATOM 1426 N LEU A 89 -6.182 -0.151 -6.641 1.00 0.00 N ATOM 1427 CA LEU A 89 -5.557 0.972 -6.261 1.00 0.00 C ATOM 1428 C LEU A 89 -6.464 1.629 -5.211 1.00 0.00 C ATOM 1429 O LEU A 89 -7.531 2.164 -5.524 1.00 0.00 O ATOM 1430 CB LEU A 89 -5.507 1.667 -7.600 1.00 0.00 C ATOM 1431 CG LEU A 89 -4.775 2.936 -7.850 1.00 0.00 C ATOM 1432 CD1 LEU A 89 -5.394 4.113 -7.180 1.00 0.00 C ATOM 1433 CD2 LEU A 89 -3.310 2.739 -7.599 1.00 0.00 C ATOM 0 H LEU A 89 -6.725 -0.001 -7.492 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.573 0.924 -5.794 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.106 0.940 -8.306 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.542 1.851 -7.886 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.867 3.197 -8.904 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.811 5.007 -7.403 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.413 4.244 -7.544 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.411 3.951 -6.102 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.780 3.673 -7.784 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.156 2.434 -6.564 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.927 1.966 -8.266 1.00 0.00 H new ATOM 1445 N ALA A 90 -6.053 1.493 -3.970 1.00 0.00 N ATOM 1446 CA ALA A 90 -6.774 1.964 -2.847 1.00 0.00 C ATOM 1447 C ALA A 90 -5.810 2.071 -1.710 1.00 0.00 C ATOM 1448 O ALA A 90 -4.682 1.543 -1.787 1.00 0.00 O ATOM 1449 CB ALA A 90 -7.877 0.979 -2.478 1.00 0.00 C ATOM 0 H ALA A 90 -5.176 1.034 -3.725 1.00 0.00 H new ATOM 0 HA ALA A 90 -7.232 2.928 -3.069 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.424 1.353 -1.613 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.561 0.867 -3.319 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.436 0.012 -2.238 1.00 0.00 H new ATOM 1455 N TYR A 91 -6.205 2.745 -0.697 1.00 0.00 N ATOM 1456 CA TYR A 91 -5.444 2.834 0.473 1.00 0.00 C ATOM 1457 C TYR A 91 -5.710 1.656 1.316 1.00 0.00 C ATOM 1458 O TYR A 91 -6.834 1.176 1.363 1.00 0.00 O ATOM 1459 CB TYR A 91 -5.726 4.113 1.195 1.00 0.00 C ATOM 1460 CG TYR A 91 -4.698 5.107 0.890 1.00 0.00 C ATOM 1461 CD1 TYR A 91 -3.550 5.092 1.608 1.00 0.00 C ATOM 1462 CD2 TYR A 91 -4.838 6.028 -0.129 1.00 0.00 C ATOM 1463 CE1 TYR A 91 -2.547 5.941 1.353 1.00 0.00 C ATOM 1464 CE2 TYR A 91 -3.827 6.917 -0.403 1.00 0.00 C ATOM 1465 CZ TYR A 91 -2.675 6.868 0.341 1.00 0.00 C ATOM 1466 OH TYR A 91 -1.644 7.733 0.064 1.00 0.00 O ATOM 0 H TYR A 91 -7.086 3.258 -0.665 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.384 2.844 0.219 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.706 4.493 0.906 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -5.759 3.932 2.269 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.441 4.375 2.408 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -5.746 6.050 -0.713 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.640 5.900 1.938 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -3.937 7.645 -1.193 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.833 7.221 -0.137 1.00 0.00 H new ATOM 1476 N ILE A 92 -4.696 1.166 1.944 1.00 0.00 N ATOM 1477 CA ILE A 92 -4.816 -0.013 2.702 1.00 0.00 C ATOM 1478 C ILE A 92 -4.344 0.201 4.135 1.00 0.00 C ATOM 1479 O ILE A 92 -3.164 0.595 4.422 1.00 0.00 O ATOM 1480 CB ILE A 92 -4.102 -1.180 2.008 1.00 0.00 C ATOM 1481 CG1 ILE A 92 -4.137 -2.431 2.860 1.00 0.00 C ATOM 1482 CG2 ILE A 92 -2.710 -0.792 1.624 1.00 0.00 C ATOM 1483 CD1 ILE A 92 -3.539 -3.657 2.197 1.00 0.00 C ATOM 0 H ILE A 92 -3.763 1.579 1.941 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.871 -0.280 2.764 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.638 -1.415 1.089 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.602 -2.238 3.790 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -5.172 -2.645 3.127 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.220 -1.633 1.133 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.744 0.057 0.941 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.149 -0.517 2.517 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.605 -4.507 2.876 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.088 -3.880 1.282 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.493 -3.466 1.955 1.00 0.00 H new ATOM 1495 N TYR A 93 -5.252 -0.032 5.014 1.00 0.00 N ATOM 1496 CA TYR A 93 -5.067 0.196 6.392 1.00 0.00 C ATOM 1497 C TYR A 93 -5.174 -1.126 7.138 1.00 0.00 C ATOM 1498 O TYR A 93 -6.204 -1.817 7.098 1.00 0.00 O ATOM 1499 CB TYR A 93 -6.094 1.224 6.869 1.00 0.00 C ATOM 1500 CG TYR A 93 -6.063 2.541 6.078 1.00 0.00 C ATOM 1501 CD1 TYR A 93 -5.031 3.482 6.234 1.00 0.00 C ATOM 1502 CD2 TYR A 93 -7.079 2.849 5.185 1.00 0.00 C ATOM 1503 CE1 TYR A 93 -5.035 4.671 5.529 1.00 0.00 C ATOM 1504 CE2 TYR A 93 -7.076 4.032 4.482 1.00 0.00 C ATOM 1505 CZ TYR A 93 -6.058 4.941 4.659 1.00 0.00 C ATOM 1506 OH TYR A 93 -6.051 6.121 3.939 1.00 0.00 O ATOM 0 H TYR A 93 -6.174 -0.399 4.780 1.00 0.00 H new ATOM 0 HA TYR A 93 -4.076 0.603 6.592 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.091 0.790 6.795 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -5.917 1.439 7.923 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -4.221 3.273 6.917 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.887 2.148 5.039 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.235 5.384 5.664 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -7.876 4.248 3.789 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.920 6.244 3.504 1.00 0.00 H new ATOM 1516 N ALA A 94 -4.138 -1.423 7.865 1.00 0.00 N ATOM 1517 CA ALA A 94 -3.940 -2.693 8.511 1.00 0.00 C ATOM 1518 C ALA A 94 -4.082 -2.429 9.936 1.00 0.00 C ATOM 1519 O ALA A 94 -3.217 -1.810 10.558 1.00 0.00 O ATOM 1520 CB ALA A 94 -2.560 -3.283 8.210 1.00 0.00 C ATOM 0 H ALA A 94 -3.377 -0.765 8.033 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.661 -3.427 8.151 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.455 -4.241 8.718 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -2.453 -3.429 7.135 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.787 -2.599 8.562 1.00 0.00 H new ATOM 1526 N ASP A 95 -5.256 -2.725 10.410 1.00 0.00 N ATOM 1527 CA ASP A 95 -5.702 -2.439 11.765 1.00 0.00 C ATOM 1528 C ASP A 95 -5.817 -0.922 11.898 1.00 0.00 C ATOM 1529 O ASP A 95 -5.954 -0.347 12.966 1.00 0.00 O ATOM 1530 CB ASP A 95 -4.790 -3.079 12.836 1.00 0.00 C ATOM 1531 CG ASP A 95 -5.303 -2.902 14.247 1.00 0.00 C ATOM 1532 OD1 ASP A 95 -6.243 -3.626 14.646 1.00 0.00 O ATOM 1533 OD2 ASP A 95 -4.781 -2.049 14.980 1.00 0.00 O ATOM 0 H ASP A 95 -5.968 -3.192 9.849 1.00 0.00 H new ATOM 0 HA ASP A 95 -6.677 -2.893 11.944 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -4.688 -4.144 12.626 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -3.794 -2.642 12.762 1.00 0.00 H new ATOM 1538 N GLY A 96 -5.799 -0.308 10.744 1.00 0.00 N ATOM 1539 CA GLY A 96 -5.868 1.079 10.624 1.00 0.00 C ATOM 1540 C GLY A 96 -4.563 1.706 10.262 1.00 0.00 C ATOM 1541 O GLY A 96 -4.507 2.871 9.871 1.00 0.00 O ATOM 0 H GLY A 96 -5.733 -0.796 9.851 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -6.609 1.335 9.866 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -6.217 1.501 11.566 1.00 0.00 H new ATOM 1545 N LYS A 97 -3.519 0.946 10.366 1.00 0.00 N ATOM 1546 CA LYS A 97 -2.210 1.445 10.102 1.00 0.00 C ATOM 1547 C LYS A 97 -1.956 1.332 8.629 1.00 0.00 C ATOM 1548 O LYS A 97 -2.147 0.284 8.041 1.00 0.00 O ATOM 1549 CB LYS A 97 -1.226 0.652 10.909 1.00 0.00 C ATOM 1550 CG LYS A 97 -1.495 0.755 12.406 1.00 0.00 C ATOM 1551 CD LYS A 97 -1.393 -0.592 13.087 1.00 0.00 C ATOM 1552 CE LYS A 97 -1.649 -0.487 14.587 1.00 0.00 C ATOM 1553 NZ LYS A 97 -3.045 -0.088 14.907 1.00 0.00 N ATOM 0 H LYS A 97 -3.552 -0.037 10.636 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.108 2.492 10.387 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.268 -0.394 10.605 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.217 1.005 10.698 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.782 1.446 12.857 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.489 1.171 12.569 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.112 -1.280 12.642 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.402 -1.012 12.916 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.434 -1.447 15.056 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.960 0.239 15.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.158 -0.016 15.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.251 0.833 14.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.704 -0.802 14.536 1.00 0.00 H new ATOM 1567 N MET A 98 -1.554 2.393 8.055 1.00 0.00 N ATOM 1568 CA MET A 98 -1.411 2.498 6.642 1.00 0.00 C ATOM 1569 C MET A 98 -0.227 1.724 6.136 1.00 0.00 C ATOM 1570 O MET A 98 0.955 2.091 6.356 1.00 0.00 O ATOM 1571 CB MET A 98 -1.421 3.960 6.245 1.00 0.00 C ATOM 1572 CG MET A 98 -1.048 4.289 4.816 1.00 0.00 C ATOM 1573 SD MET A 98 -1.648 5.916 4.355 1.00 0.00 S ATOM 1574 CE MET A 98 -1.102 6.906 5.743 1.00 0.00 C ATOM 0 H MET A 98 -1.305 3.244 8.559 1.00 0.00 H new ATOM 0 HA MET A 98 -2.263 2.028 6.150 1.00 0.00 H new ATOM 0 HB2 MET A 98 -2.419 4.355 6.433 1.00 0.00 H new ATOM 0 HB3 MET A 98 -0.737 4.494 6.905 1.00 0.00 H new ATOM 0 HG2 MET A 98 0.035 4.251 4.701 1.00 0.00 H new ATOM 0 HG3 MET A 98 -1.467 3.539 4.145 1.00 0.00 H new ATOM 0 HE1 MET A 98 -1.295 7.959 5.537 1.00 0.00 H new ATOM 0 HE2 MET A 98 -1.645 6.606 6.640 1.00 0.00 H new ATOM 0 HE3 MET A 98 -0.034 6.756 5.899 1.00 0.00 H new ATOM 1584 N VAL A 99 -0.554 0.652 5.440 1.00 0.00 N ATOM 1585 CA VAL A 99 0.430 -0.284 4.934 1.00 0.00 C ATOM 1586 C VAL A 99 1.335 0.422 3.953 1.00 0.00 C ATOM 1587 O VAL A 99 2.545 0.223 3.946 1.00 0.00 O ATOM 1588 CB VAL A 99 -0.274 -1.486 4.255 1.00 0.00 C ATOM 1589 CG1 VAL A 99 0.703 -2.511 3.761 1.00 0.00 C ATOM 1590 CG2 VAL A 99 -1.270 -2.130 5.189 1.00 0.00 C ATOM 0 H VAL A 99 -1.516 0.405 5.209 1.00 0.00 H new ATOM 0 HA VAL A 99 1.029 -0.663 5.762 1.00 0.00 H new ATOM 0 HB VAL A 99 -0.804 -1.088 3.390 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.162 -3.334 3.293 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.371 -2.054 3.031 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.287 -2.891 4.599 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.749 -2.970 4.687 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.755 -2.486 6.081 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.026 -1.399 5.475 1.00 0.00 H new ATOM 1600 N ASN A 100 0.741 1.337 3.210 1.00 0.00 N ATOM 1601 CA ASN A 100 1.448 2.080 2.174 1.00 0.00 C ATOM 1602 C ASN A 100 2.620 2.847 2.830 1.00 0.00 C ATOM 1603 O ASN A 100 3.836 2.710 2.451 1.00 0.00 O ATOM 1604 CB ASN A 100 0.483 3.069 1.471 1.00 0.00 C ATOM 1605 CG ASN A 100 -0.862 2.466 1.118 1.00 0.00 C ATOM 1606 OD1 ASN A 100 -1.757 2.382 1.963 1.00 0.00 O ATOM 1607 ND2 ASN A 100 -1.058 2.131 -0.107 1.00 0.00 N ATOM 0 H ASN A 100 -0.243 1.589 3.304 1.00 0.00 H new ATOM 0 HA ASN A 100 1.834 1.391 1.422 1.00 0.00 H new ATOM 0 HB2 ASN A 100 0.325 3.931 2.120 1.00 0.00 H new ATOM 0 HB3 ASN A 100 0.956 3.438 0.561 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -1.971 1.786 -0.401 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -0.300 2.211 -0.785 1.00 0.00 H new ATOM 1614 N GLU A 101 2.242 3.530 3.903 1.00 0.00 N ATOM 1615 CA GLU A 101 3.119 4.334 4.725 1.00 0.00 C ATOM 1616 C GLU A 101 4.164 3.468 5.267 1.00 0.00 C ATOM 1617 O GLU A 101 5.316 3.665 5.009 1.00 0.00 O ATOM 1618 CB GLU A 101 2.371 4.886 5.931 1.00 0.00 C ATOM 1619 CG GLU A 101 3.232 5.728 6.876 1.00 0.00 C ATOM 1620 CD GLU A 101 2.562 6.021 8.187 1.00 0.00 C ATOM 1621 OE1 GLU A 101 2.382 5.088 8.992 1.00 0.00 O ATOM 1622 OE2 GLU A 101 2.253 7.194 8.462 1.00 0.00 O ATOM 0 H GLU A 101 1.277 3.535 4.232 1.00 0.00 H new ATOM 0 HA GLU A 101 3.514 5.144 4.112 1.00 0.00 H new ATOM 0 HB2 GLU A 101 1.537 5.494 5.580 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.945 4.054 6.491 1.00 0.00 H new ATOM 0 HG2 GLU A 101 4.170 5.206 7.064 1.00 0.00 H new ATOM 0 HG3 GLU A 101 3.483 6.669 6.386 1.00 0.00 H new ATOM 1629 N ALA A 102 3.734 2.469 5.995 1.00 0.00 N ATOM 1630 CA ALA A 102 4.631 1.605 6.674 1.00 0.00 C ATOM 1631 C ALA A 102 5.650 0.973 5.725 1.00 0.00 C ATOM 1632 O ALA A 102 6.848 0.929 6.037 1.00 0.00 O ATOM 1633 CB ALA A 102 3.853 0.608 7.455 1.00 0.00 C ATOM 0 H ALA A 102 2.748 2.242 6.126 1.00 0.00 H new ATOM 0 HA ALA A 102 5.230 2.186 7.376 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.538 -0.059 7.979 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.224 1.124 8.180 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.226 0.026 6.780 1.00 0.00 H new ATOM 1639 N LEU A 103 5.208 0.623 4.519 1.00 0.00 N ATOM 1640 CA LEU A 103 6.110 0.044 3.544 1.00 0.00 C ATOM 1641 C LEU A 103 7.117 1.061 3.090 1.00 0.00 C ATOM 1642 O LEU A 103 8.331 0.784 3.063 1.00 0.00 O ATOM 1643 CB LEU A 103 5.365 -0.563 2.343 1.00 0.00 C ATOM 1644 CG LEU A 103 5.004 -2.049 2.449 1.00 0.00 C ATOM 1645 CD1 LEU A 103 6.256 -2.890 2.443 1.00 0.00 C ATOM 1646 CD2 LEU A 103 4.211 -2.331 3.701 1.00 0.00 C ATOM 0 H LEU A 103 4.244 0.731 4.203 1.00 0.00 H new ATOM 0 HA LEU A 103 6.634 -0.775 4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.446 0.002 2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.978 -0.422 1.453 1.00 0.00 H new ATOM 0 HG LEU A 103 4.389 -2.305 1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.987 -3.944 2.519 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.803 -2.721 1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.884 -2.614 3.290 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.970 -3.393 3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 103 4.800 -2.054 4.575 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.289 -1.750 3.686 1.00 0.00 H new ATOM 1658 N VAL A 104 6.651 2.258 2.792 1.00 0.00 N ATOM 1659 CA VAL A 104 7.572 3.299 2.352 1.00 0.00 C ATOM 1660 C VAL A 104 8.370 3.892 3.545 1.00 0.00 C ATOM 1661 O VAL A 104 9.420 4.502 3.372 1.00 0.00 O ATOM 1662 CB VAL A 104 6.822 4.407 1.567 1.00 0.00 C ATOM 1663 CG1 VAL A 104 5.952 5.224 2.433 1.00 0.00 C ATOM 1664 CG2 VAL A 104 7.732 5.265 0.744 1.00 0.00 C ATOM 0 H VAL A 104 5.670 2.534 2.842 1.00 0.00 H new ATOM 0 HA VAL A 104 8.293 2.841 1.675 1.00 0.00 H new ATOM 0 HB VAL A 104 6.177 3.876 0.867 1.00 0.00 H new ATOM 0 HG11 VAL A 104 5.451 5.984 1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.206 4.585 2.906 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.555 5.708 3.202 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.145 6.020 0.220 1.00 0.00 H new ATOM 0 HG22 VAL A 104 8.456 5.755 1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 104 8.258 4.645 0.017 1.00 0.00 H new ATOM 1674 N ARG A 105 7.902 3.616 4.747 1.00 0.00 N ATOM 1675 CA ARG A 105 8.461 4.175 5.962 1.00 0.00 C ATOM 1676 C ARG A 105 9.568 3.306 6.407 1.00 0.00 C ATOM 1677 O ARG A 105 10.526 3.768 6.972 1.00 0.00 O ATOM 1678 CB ARG A 105 7.384 4.213 7.055 1.00 0.00 C ATOM 1679 CG ARG A 105 7.747 4.946 8.334 1.00 0.00 C ATOM 1680 CD ARG A 105 8.102 6.395 8.076 1.00 0.00 C ATOM 1681 NE ARG A 105 8.182 7.162 9.328 1.00 0.00 N ATOM 1682 CZ ARG A 105 7.903 8.471 9.473 1.00 0.00 C ATOM 1683 NH1 ARG A 105 7.344 9.165 8.483 1.00 0.00 N ATOM 1684 NH2 ARG A 105 8.126 9.066 10.637 1.00 0.00 N ATOM 0 H ARG A 105 7.113 2.990 4.909 1.00 0.00 H new ATOM 0 HA ARG A 105 8.820 5.187 5.775 1.00 0.00 H new ATOM 0 HB2 ARG A 105 6.490 4.676 6.638 1.00 0.00 H new ATOM 0 HB3 ARG A 105 7.121 3.187 7.312 1.00 0.00 H new ATOM 0 HG2 ARG A 105 6.910 4.896 9.030 1.00 0.00 H new ATOM 0 HG3 ARG A 105 8.589 4.446 8.812 1.00 0.00 H new ATOM 0 HD2 ARG A 105 9.057 6.449 7.553 1.00 0.00 H new ATOM 0 HD3 ARG A 105 7.354 6.843 7.421 1.00 0.00 H new ATOM 0 HE ARG A 105 8.476 6.656 10.163 1.00 0.00 H new ATOM 0 HH11 ARG A 105 7.121 8.705 7.600 1.00 0.00 H new ATOM 0 HH12 ARG A 105 7.138 10.156 8.608 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.507 8.532 11.418 1.00 0.00 H new ATOM 0 HH22 ARG A 105 7.916 10.058 10.751 1.00 0.00 H new ATOM 1698 N GLN A 106 9.394 2.030 6.167 1.00 0.00 N ATOM 1699 CA GLN A 106 10.319 1.043 6.496 1.00 0.00 C ATOM 1700 C GLN A 106 11.452 0.896 5.497 1.00 0.00 C ATOM 1701 O GLN A 106 12.416 0.189 5.767 1.00 0.00 O ATOM 1702 CB GLN A 106 9.587 -0.250 6.606 1.00 0.00 C ATOM 1703 CG GLN A 106 8.943 -0.490 7.956 1.00 0.00 C ATOM 1704 CD GLN A 106 9.955 -0.560 9.092 1.00 0.00 C ATOM 1705 OE1 GLN A 106 9.653 -0.198 10.227 1.00 0.00 O ATOM 1706 NE2 GLN A 106 11.142 -1.048 8.812 1.00 0.00 N ATOM 0 H GLN A 106 8.556 1.663 5.715 1.00 0.00 H new ATOM 0 HA GLN A 106 10.787 1.336 7.436 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.815 -0.283 5.837 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.280 -1.065 6.397 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.230 0.309 8.160 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.377 -1.421 7.922 1.00 0.00 H new ATOM 0 HE21 GLN A 106 11.362 -1.340 7.860 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.844 -1.135 9.547 1.00 0.00 H new ATOM 1715 N GLY A 107 11.350 1.520 4.355 1.00 0.00 N ATOM 1716 CA GLY A 107 12.400 1.355 3.389 1.00 0.00 C ATOM 1717 C GLY A 107 12.147 0.186 2.487 1.00 0.00 C ATOM 1718 O GLY A 107 13.082 -0.424 1.994 1.00 0.00 O ATOM 0 H GLY A 107 10.579 2.127 4.077 1.00 0.00 H new ATOM 0 HA2 GLY A 107 12.490 2.262 2.792 1.00 0.00 H new ATOM 0 HA3 GLY A 107 13.350 1.217 3.905 1.00 0.00 H new ATOM 1722 N LEU A 108 10.902 -0.185 2.317 1.00 0.00 N ATOM 1723 CA LEU A 108 10.583 -1.249 1.388 1.00 0.00 C ATOM 1724 C LEU A 108 9.836 -0.699 0.214 1.00 0.00 C ATOM 1725 O LEU A 108 9.414 -1.433 -0.657 1.00 0.00 O ATOM 1726 CB LEU A 108 9.776 -2.406 2.009 1.00 0.00 C ATOM 1727 CG LEU A 108 10.449 -3.279 3.065 1.00 0.00 C ATOM 1728 CD1 LEU A 108 11.939 -3.353 2.937 1.00 0.00 C ATOM 1729 CD2 LEU A 108 9.960 -3.001 4.448 1.00 0.00 C ATOM 0 H LEU A 108 10.102 0.224 2.800 1.00 0.00 H new ATOM 0 HA LEU A 108 11.540 -1.668 1.078 1.00 0.00 H new ATOM 0 HB2 LEU A 108 8.876 -1.981 2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 108 9.453 -3.058 1.197 1.00 0.00 H new ATOM 0 HG LEU A 108 10.123 -4.297 2.851 1.00 0.00 H new ATOM 0 HD11 LEU A 108 12.340 -3.992 3.724 1.00 0.00 H new ATOM 0 HD12 LEU A 108 12.200 -3.768 1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.362 -2.353 3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 108 10.475 -3.652 5.154 1.00 0.00 H new ATOM 0 HD22 LEU A 108 10.160 -1.960 4.702 1.00 0.00 H new ATOM 0 HD23 LEU A 108 8.887 -3.187 4.499 1.00 0.00 H new ATOM 1741 N ALA A 109 9.688 0.588 0.192 1.00 0.00 N ATOM 1742 CA ALA A 109 8.978 1.248 -0.850 1.00 0.00 C ATOM 1743 C ALA A 109 9.451 2.645 -0.991 1.00 0.00 C ATOM 1744 O ALA A 109 10.106 3.196 -0.098 1.00 0.00 O ATOM 1745 CB ALA A 109 7.505 1.248 -0.556 1.00 0.00 C ATOM 0 H ALA A 109 10.062 1.214 0.906 1.00 0.00 H new ATOM 0 HA ALA A 109 9.160 0.712 -1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.973 1.756 -1.361 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.150 0.221 -0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.322 1.768 0.384 1.00 0.00 H new ATOM 1751 N LYS A 110 9.151 3.175 -2.118 1.00 0.00 N ATOM 1752 CA LYS A 110 9.418 4.538 -2.471 1.00 0.00 C ATOM 1753 C LYS A 110 8.062 5.161 -2.624 1.00 0.00 C ATOM 1754 O LYS A 110 7.063 4.415 -2.750 1.00 0.00 O ATOM 1755 CB LYS A 110 10.070 4.599 -3.838 1.00 0.00 C ATOM 1756 CG LYS A 110 11.189 3.618 -4.082 1.00 0.00 C ATOM 1757 CD LYS A 110 11.476 3.579 -5.555 1.00 0.00 C ATOM 1758 CE LYS A 110 12.391 2.449 -5.944 1.00 0.00 C ATOM 1759 NZ LYS A 110 12.375 2.272 -7.408 1.00 0.00 N ATOM 0 H LYS A 110 8.690 2.653 -2.863 1.00 0.00 H new ATOM 0 HA LYS A 110 10.060 5.020 -1.734 1.00 0.00 H new ATOM 0 HB2 LYS A 110 9.301 4.437 -4.593 1.00 0.00 H new ATOM 0 HB3 LYS A 110 10.458 5.607 -3.989 1.00 0.00 H new ATOM 0 HG2 LYS A 110 12.081 3.916 -3.530 1.00 0.00 H new ATOM 0 HG3 LYS A 110 10.909 2.627 -3.724 1.00 0.00 H new ATOM 0 HD2 LYS A 110 10.537 3.484 -6.101 1.00 0.00 H new ATOM 0 HD3 LYS A 110 11.926 4.525 -5.858 1.00 0.00 H new ATOM 0 HE2 LYS A 110 13.406 2.658 -5.605 1.00 0.00 H new ATOM 0 HE3 LYS A 110 12.075 1.528 -5.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 12.747 1.331 -7.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 11.399 2.358 -7.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 12.967 3.002 -7.852 1.00 0.00 H new ATOM 1773 N VAL A 111 7.992 6.460 -2.651 1.00 0.00 N ATOM 1774 CA VAL A 111 6.734 7.099 -2.861 1.00 0.00 C ATOM 1775 C VAL A 111 6.474 7.184 -4.345 1.00 0.00 C ATOM 1776 O VAL A 111 7.224 7.805 -5.105 1.00 0.00 O ATOM 1777 CB VAL A 111 6.579 8.497 -2.162 1.00 0.00 C ATOM 1778 CG1 VAL A 111 7.628 9.492 -2.605 1.00 0.00 C ATOM 1779 CG2 VAL A 111 5.186 9.066 -2.396 1.00 0.00 C ATOM 0 H VAL A 111 8.786 7.090 -2.531 1.00 0.00 H new ATOM 0 HA VAL A 111 5.977 6.482 -2.377 1.00 0.00 H new ATOM 0 HB VAL A 111 6.725 8.328 -1.095 1.00 0.00 H new ATOM 0 HG11 VAL A 111 7.471 10.440 -2.089 1.00 0.00 H new ATOM 0 HG12 VAL A 111 8.619 9.107 -2.364 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.551 9.647 -3.681 1.00 0.00 H new ATOM 0 HG21 VAL A 111 5.101 10.034 -1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 111 5.018 9.187 -3.466 1.00 0.00 H new ATOM 0 HG23 VAL A 111 4.441 8.384 -1.987 1.00 0.00 H new ATOM 1789 N ALA A 112 5.474 6.507 -4.758 1.00 0.00 N ATOM 1790 CA ALA A 112 5.109 6.490 -6.135 1.00 0.00 C ATOM 1791 C ALA A 112 4.088 7.572 -6.407 1.00 0.00 C ATOM 1792 O ALA A 112 3.750 8.362 -5.533 1.00 0.00 O ATOM 1793 CB ALA A 112 4.562 5.122 -6.520 1.00 0.00 C ATOM 0 H ALA A 112 4.876 5.943 -4.154 1.00 0.00 H new ATOM 0 HA ALA A 112 5.993 6.684 -6.742 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.287 5.124 -7.575 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.324 4.363 -6.345 1.00 0.00 H new ATOM 0 HB3 ALA A 112 3.682 4.899 -5.916 1.00 0.00 H new ATOM 1799 N TYR A 113 3.614 7.583 -7.597 1.00 0.00 N ATOM 1800 CA TYR A 113 2.608 8.496 -8.053 1.00 0.00 C ATOM 1801 C TYR A 113 1.981 7.880 -9.258 1.00 0.00 C ATOM 1802 O TYR A 113 2.597 7.738 -10.308 1.00 0.00 O ATOM 1803 CB TYR A 113 3.161 9.904 -8.326 1.00 0.00 C ATOM 1804 CG TYR A 113 2.140 10.884 -8.892 1.00 0.00 C ATOM 1805 CD1 TYR A 113 0.987 11.265 -8.178 1.00 0.00 C ATOM 1806 CD2 TYR A 113 2.327 11.423 -10.148 1.00 0.00 C ATOM 1807 CE1 TYR A 113 0.084 12.149 -8.725 1.00 0.00 C ATOM 1808 CE2 TYR A 113 1.429 12.305 -10.688 1.00 0.00 C ATOM 1809 CZ TYR A 113 0.315 12.665 -9.979 1.00 0.00 C ATOM 1810 OH TYR A 113 -0.582 13.544 -10.531 1.00 0.00 O ATOM 0 H TYR A 113 3.923 6.932 -8.319 1.00 0.00 H new ATOM 0 HA TYR A 113 1.860 8.652 -7.275 1.00 0.00 H new ATOM 0 HB2 TYR A 113 3.560 10.311 -7.397 1.00 0.00 H new ATOM 0 HB3 TYR A 113 3.995 9.824 -9.023 1.00 0.00 H new ATOM 0 HD1 TYR A 113 0.810 10.860 -7.193 1.00 0.00 H new ATOM 0 HD2 TYR A 113 3.201 11.143 -10.718 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -0.799 12.435 -8.173 1.00 0.00 H new ATOM 0 HE2 TYR A 113 1.600 12.716 -11.672 1.00 0.00 H new ATOM 0 HH TYR A 113 -0.270 13.814 -11.420 1.00 0.00 H new ATOM 1820 N VAL A 114 0.781 7.487 -9.073 1.00 0.00 N ATOM 1821 CA VAL A 114 0.051 6.704 -10.025 1.00 0.00 C ATOM 1822 C VAL A 114 -0.633 7.523 -11.114 1.00 0.00 C ATOM 1823 O VAL A 114 -0.104 7.687 -12.206 1.00 0.00 O ATOM 1824 CB VAL A 114 -0.948 5.780 -9.292 1.00 0.00 C ATOM 1825 CG1 VAL A 114 -0.223 4.531 -8.828 1.00 0.00 C ATOM 1826 CG2 VAL A 114 -1.507 6.491 -8.050 1.00 0.00 C ATOM 0 H VAL A 114 0.250 7.702 -8.229 1.00 0.00 H new ATOM 0 HA VAL A 114 0.783 6.096 -10.556 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.759 5.527 -9.975 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -0.923 3.875 -8.310 1.00 0.00 H new ATOM 0 HG12 VAL A 114 0.192 4.010 -9.691 1.00 0.00 H new ATOM 0 HG13 VAL A 114 0.583 4.809 -8.149 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -2.210 5.833 -7.540 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.689 6.741 -7.375 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -2.019 7.404 -8.353 1.00 0.00 H new ATOM 1836 N TYR A 115 -1.783 8.040 -10.811 1.00 0.00 N ATOM 1837 CA TYR A 115 -2.549 8.810 -11.734 1.00 0.00 C ATOM 1838 C TYR A 115 -2.979 10.041 -11.000 1.00 0.00 C ATOM 1839 O TYR A 115 -3.279 9.927 -9.799 1.00 0.00 O ATOM 1840 CB TYR A 115 -3.793 8.023 -12.210 1.00 0.00 C ATOM 1841 CG TYR A 115 -3.501 6.680 -12.844 1.00 0.00 C ATOM 1842 CD1 TYR A 115 -2.976 6.588 -14.125 1.00 0.00 C ATOM 1843 CD2 TYR A 115 -3.755 5.504 -12.155 1.00 0.00 C ATOM 1844 CE1 TYR A 115 -2.712 5.363 -14.701 1.00 0.00 C ATOM 1845 CE2 TYR A 115 -3.497 4.277 -12.723 1.00 0.00 C ATOM 1846 CZ TYR A 115 -2.976 4.209 -13.997 1.00 0.00 C ATOM 1847 OH TYR A 115 -2.709 2.982 -14.567 1.00 0.00 O ATOM 0 H TYR A 115 -2.222 7.935 -9.896 1.00 0.00 H new ATOM 0 HA TYR A 115 -1.959 9.051 -12.618 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -4.454 7.868 -11.357 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -4.338 8.635 -12.928 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -2.771 7.491 -14.681 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -4.162 5.551 -11.156 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -2.301 5.309 -15.698 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.702 3.371 -12.172 1.00 0.00 H new ATOM 0 HH TYR A 115 -2.720 2.290 -13.873 1.00 0.00 H new ATOM 1857 N LYS A 116 -2.960 11.194 -11.680 1.00 0.00 N ATOM 1858 CA LYS A 116 -3.374 12.502 -11.134 1.00 0.00 C ATOM 1859 C LYS A 116 -4.663 12.333 -10.378 1.00 0.00 C ATOM 1860 O LYS A 116 -5.715 12.102 -10.963 1.00 0.00 O ATOM 1861 CB LYS A 116 -3.522 13.533 -12.303 1.00 0.00 C ATOM 1862 CG LYS A 116 -3.682 15.055 -11.957 1.00 0.00 C ATOM 1863 CD LYS A 116 -5.088 15.478 -11.481 1.00 0.00 C ATOM 1864 CE LYS A 116 -5.236 15.555 -9.956 1.00 0.00 C ATOM 1865 NZ LYS A 116 -4.375 16.603 -9.351 1.00 0.00 N ATOM 0 H LYS A 116 -2.649 11.250 -12.650 1.00 0.00 H new ATOM 0 HA LYS A 116 -2.620 12.883 -10.445 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -2.647 13.431 -12.945 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -4.388 13.237 -12.896 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -2.961 15.312 -11.181 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -3.423 15.641 -12.839 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -5.327 16.452 -11.908 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -5.820 14.771 -11.871 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -6.278 15.756 -9.705 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -4.985 14.588 -9.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -4.730 16.839 -8.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -3.399 16.251 -9.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -4.392 17.454 -9.948 1.00 0.00 H new ATOM 1879 N GLY A 117 -4.564 12.402 -9.087 1.00 0.00 N ATOM 1880 CA GLY A 117 -5.680 12.174 -8.273 1.00 0.00 C ATOM 1881 C GLY A 117 -5.274 11.371 -7.117 1.00 0.00 C ATOM 1882 O GLY A 117 -5.328 11.829 -5.990 1.00 0.00 O ATOM 0 H GLY A 117 -3.703 12.618 -8.585 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -6.104 13.122 -7.942 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -6.457 11.657 -8.836 1.00 0.00 H new ATOM 1886 N ASN A 118 -4.722 10.222 -7.413 1.00 0.00 N ATOM 1887 CA ASN A 118 -4.387 9.264 -6.394 1.00 0.00 C ATOM 1888 C ASN A 118 -3.078 9.611 -5.797 1.00 0.00 C ATOM 1889 O ASN A 118 -2.019 9.220 -6.320 1.00 0.00 O ATOM 1890 CB ASN A 118 -4.321 7.841 -6.904 1.00 0.00 C ATOM 1891 CG ASN A 118 -5.477 7.391 -7.730 1.00 0.00 C ATOM 1892 OD1 ASN A 118 -6.493 6.971 -7.208 1.00 0.00 O ATOM 1893 ND2 ASN A 118 -5.367 7.450 -9.059 1.00 0.00 N ATOM 0 H ASN A 118 -4.494 9.926 -8.362 1.00 0.00 H new ATOM 0 HA ASN A 118 -5.187 9.310 -5.655 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -3.412 7.729 -7.495 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -4.229 7.173 -6.048 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -6.140 7.141 -9.649 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -4.510 7.804 -9.485 1.00 0.00 H new ATOM 1900 N ASN A 119 -3.126 10.402 -4.766 1.00 0.00 N ATOM 1901 CA ASN A 119 -1.925 10.865 -4.101 1.00 0.00 C ATOM 1902 C ASN A 119 -2.299 11.476 -2.759 1.00 0.00 C ATOM 1903 O ASN A 119 -1.536 12.253 -2.166 1.00 0.00 O ATOM 1904 CB ASN A 119 -1.221 11.891 -5.018 1.00 0.00 C ATOM 1905 CG ASN A 119 -1.823 13.291 -4.940 1.00 0.00 C ATOM 1906 OD1 ASN A 119 -1.303 14.188 -4.263 1.00 0.00 O ATOM 1907 ND2 ASN A 119 -2.949 13.470 -5.546 1.00 0.00 N ATOM 0 H ASN A 119 -3.993 10.749 -4.356 1.00 0.00 H new ATOM 0 HA ASN A 119 -1.239 10.039 -3.913 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -0.166 11.942 -4.749 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -1.271 11.540 -6.049 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -3.431 14.366 -5.473 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -3.357 12.715 -6.098 1.00 0.00 H new ATOM 1914 N THR A 120 -3.416 11.034 -2.233 1.00 0.00 N ATOM 1915 CA THR A 120 -4.003 11.614 -1.046 1.00 0.00 C ATOM 1916 C THR A 120 -3.054 11.639 0.166 1.00 0.00 C ATOM 1917 O THR A 120 -3.021 12.619 0.896 1.00 0.00 O ATOM 1918 CB THR A 120 -5.331 10.936 -0.728 1.00 0.00 C ATOM 1919 OG1 THR A 120 -6.039 10.752 -1.967 1.00 0.00 O ATOM 1920 CG2 THR A 120 -6.157 11.842 0.151 1.00 0.00 C ATOM 0 H THR A 120 -3.949 10.255 -2.619 1.00 0.00 H new ATOM 0 HA THR A 120 -4.195 12.664 -1.267 1.00 0.00 H new ATOM 0 HB THR A 120 -5.156 9.986 -0.224 1.00 0.00 H new ATOM 0 HG1 THR A 120 -5.897 9.839 -2.293 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.107 11.359 0.380 1.00 0.00 H new ATOM 0 HG22 THR A 120 -5.618 12.040 1.078 1.00 0.00 H new ATOM 0 HG23 THR A 120 -6.343 12.782 -0.368 1.00 0.00 H new ATOM 1928 N HIS A 121 -2.270 10.614 0.367 1.00 0.00 N ATOM 1929 CA HIS A 121 -1.284 10.670 1.405 1.00 0.00 C ATOM 1930 C HIS A 121 0.099 10.648 0.833 1.00 0.00 C ATOM 1931 O HIS A 121 1.042 10.359 1.534 1.00 0.00 O ATOM 1932 CB HIS A 121 -1.443 9.577 2.451 1.00 0.00 C ATOM 1933 CG HIS A 121 -2.511 9.818 3.466 1.00 0.00 C ATOM 1934 ND1 HIS A 121 -3.392 8.852 3.910 1.00 0.00 N ATOM 1935 CD2 HIS A 121 -2.781 10.930 4.188 1.00 0.00 C ATOM 1936 CE1 HIS A 121 -4.147 9.389 4.864 1.00 0.00 C ATOM 1937 NE2 HIS A 121 -3.816 10.660 5.077 1.00 0.00 N ATOM 0 H HIS A 121 -2.295 9.745 -0.166 1.00 0.00 H new ATOM 0 HA HIS A 121 -1.445 11.618 1.919 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -1.654 8.637 1.941 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -0.493 9.452 2.970 1.00 0.00 H new ATOM 0 HD1 HIS A 121 -3.453 7.894 3.566 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -2.273 11.878 4.090 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -4.926 8.863 5.396 1.00 0.00 H new ATOM 1945 N GLU A 122 0.231 11.044 -0.423 1.00 0.00 N ATOM 1946 CA GLU A 122 1.533 11.065 -1.102 1.00 0.00 C ATOM 1947 C GLU A 122 2.502 11.988 -0.382 1.00 0.00 C ATOM 1948 O GLU A 122 3.697 11.758 -0.395 1.00 0.00 O ATOM 1949 CB GLU A 122 1.340 11.444 -2.579 1.00 0.00 C ATOM 1950 CG GLU A 122 2.589 11.609 -3.449 1.00 0.00 C ATOM 1951 CD GLU A 122 3.181 13.003 -3.373 1.00 0.00 C ATOM 1952 OE1 GLU A 122 2.403 13.973 -3.213 1.00 0.00 O ATOM 1953 OE2 GLU A 122 4.405 13.165 -3.573 1.00 0.00 O ATOM 0 H GLU A 122 -0.548 11.358 -1.002 1.00 0.00 H new ATOM 0 HA GLU A 122 1.977 10.070 -1.073 1.00 0.00 H new ATOM 0 HB2 GLU A 122 0.711 10.682 -3.039 1.00 0.00 H new ATOM 0 HB3 GLU A 122 0.783 12.381 -2.613 1.00 0.00 H new ATOM 0 HG2 GLU A 122 3.340 10.883 -3.138 1.00 0.00 H new ATOM 0 HG3 GLU A 122 2.337 11.383 -4.485 1.00 0.00 H new ATOM 1960 N GLN A 123 1.971 12.991 0.292 1.00 0.00 N ATOM 1961 CA GLN A 123 2.796 13.902 1.039 1.00 0.00 C ATOM 1962 C GLN A 123 3.434 13.133 2.234 1.00 0.00 C ATOM 1963 O GLN A 123 4.663 13.198 2.495 1.00 0.00 O ATOM 1964 CB GLN A 123 1.984 15.152 1.496 1.00 0.00 C ATOM 1965 CG GLN A 123 0.976 14.948 2.642 1.00 0.00 C ATOM 1966 CD GLN A 123 -0.238 14.082 2.349 1.00 0.00 C ATOM 1967 OE1 GLN A 123 -0.707 13.382 3.234 1.00 0.00 O ATOM 1968 NE2 GLN A 123 -0.799 14.140 1.169 1.00 0.00 N ATOM 0 H GLN A 123 0.971 13.190 0.333 1.00 0.00 H new ATOM 0 HA GLN A 123 3.598 14.283 0.406 1.00 0.00 H new ATOM 0 HB2 GLN A 123 2.692 15.923 1.800 1.00 0.00 H new ATOM 0 HB3 GLN A 123 1.442 15.539 0.633 1.00 0.00 H new ATOM 0 HG2 GLN A 123 1.508 14.510 3.487 1.00 0.00 H new ATOM 0 HG3 GLN A 123 0.623 15.929 2.961 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -0.395 14.729 0.441 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -1.640 13.596 0.977 1.00 0.00 H new ATOM 1977 N LEU A 124 2.614 12.313 2.866 1.00 0.00 N ATOM 1978 CA LEU A 124 3.031 11.495 3.962 1.00 0.00 C ATOM 1979 C LEU A 124 3.972 10.422 3.467 1.00 0.00 C ATOM 1980 O LEU A 124 4.992 10.160 4.081 1.00 0.00 O ATOM 1981 CB LEU A 124 1.794 10.919 4.705 1.00 0.00 C ATOM 1982 CG LEU A 124 2.020 9.724 5.654 1.00 0.00 C ATOM 1983 CD1 LEU A 124 0.943 9.666 6.704 1.00 0.00 C ATOM 1984 CD2 LEU A 124 1.977 8.418 4.874 1.00 0.00 C ATOM 0 H LEU A 124 1.630 12.204 2.620 1.00 0.00 H new ATOM 0 HA LEU A 124 3.579 12.095 4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 124 1.344 11.726 5.283 1.00 0.00 H new ATOM 0 HB3 LEU A 124 1.062 10.618 3.955 1.00 0.00 H new ATOM 0 HG LEU A 124 2.994 9.858 6.125 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.122 8.816 7.362 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.955 10.586 7.288 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.029 9.554 6.223 1.00 0.00 H new ATOM 0 HD21 LEU A 124 2.138 7.582 5.555 1.00 0.00 H new ATOM 0 HD22 LEU A 124 1.004 8.313 4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 124 2.758 8.422 4.114 1.00 0.00 H new ATOM 1996 N LEU A 125 3.644 9.824 2.339 1.00 0.00 N ATOM 1997 CA LEU A 125 4.492 8.813 1.781 1.00 0.00 C ATOM 1998 C LEU A 125 5.818 9.356 1.328 1.00 0.00 C ATOM 1999 O LEU A 125 6.833 8.705 1.517 1.00 0.00 O ATOM 2000 CB LEU A 125 3.828 7.967 0.708 1.00 0.00 C ATOM 2001 CG LEU A 125 2.850 6.916 1.213 1.00 0.00 C ATOM 2002 CD1 LEU A 125 1.418 7.368 1.199 1.00 0.00 C ATOM 2003 CD2 LEU A 125 3.044 5.640 0.487 1.00 0.00 C ATOM 0 H LEU A 125 2.801 10.025 1.801 1.00 0.00 H new ATOM 0 HA LEU A 125 4.688 8.131 2.608 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.300 8.630 0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.606 7.467 0.131 1.00 0.00 H new ATOM 0 HG LEU A 125 3.078 6.751 2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.780 6.567 1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 125 1.307 8.246 1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 125 1.126 7.620 0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 125 2.337 4.898 0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.876 5.798 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 125 4.062 5.283 0.645 1.00 0.00 H new ATOM 2015 N ARG A 126 5.834 10.562 0.763 1.00 0.00 N ATOM 2016 CA ARG A 126 7.091 11.160 0.395 1.00 0.00 C ATOM 2017 C ARG A 126 7.874 11.484 1.641 1.00 0.00 C ATOM 2018 O ARG A 126 9.101 11.306 1.676 1.00 0.00 O ATOM 2019 CB ARG A 126 6.948 12.370 -0.525 1.00 0.00 C ATOM 2020 CG ARG A 126 6.442 13.624 0.096 1.00 0.00 C ATOM 2021 CD ARG A 126 6.478 14.700 -0.916 1.00 0.00 C ATOM 2022 NE ARG A 126 6.212 16.022 -0.330 1.00 0.00 N ATOM 2023 CZ ARG A 126 6.320 17.189 -0.982 1.00 0.00 C ATOM 2024 NH1 ARG A 126 6.644 17.211 -2.273 1.00 0.00 N ATOM 2025 NH2 ARG A 126 6.095 18.322 -0.336 1.00 0.00 N ATOM 0 H ARG A 126 5.007 11.123 0.559 1.00 0.00 H new ATOM 0 HA ARG A 126 7.642 10.430 -0.197 1.00 0.00 H new ATOM 0 HB2 ARG A 126 7.922 12.578 -0.968 1.00 0.00 H new ATOM 0 HB3 ARG A 126 6.278 12.100 -1.341 1.00 0.00 H new ATOM 0 HG2 ARG A 126 5.425 13.482 0.461 1.00 0.00 H new ATOM 0 HG3 ARG A 126 7.054 13.894 0.957 1.00 0.00 H new ATOM 0 HD2 ARG A 126 7.455 14.709 -1.400 1.00 0.00 H new ATOM 0 HD3 ARG A 126 5.740 14.493 -1.691 1.00 0.00 H new ATOM 0 HE ARG A 126 5.923 16.054 0.648 1.00 0.00 H new ATOM 0 HH11 ARG A 126 6.812 16.337 -2.772 1.00 0.00 H new ATOM 0 HH12 ARG A 126 6.725 18.102 -2.763 1.00 0.00 H new ATOM 0 HH21 ARG A 126 5.841 18.304 0.652 1.00 0.00 H new ATOM 0 HH22 ARG A 126 6.175 19.213 -0.826 1.00 0.00 H new ATOM 2039 N LYS A 127 7.160 11.905 2.689 1.00 0.00 N ATOM 2040 CA LYS A 127 7.783 12.126 3.976 1.00 0.00 C ATOM 2041 C LYS A 127 8.360 10.809 4.539 1.00 0.00 C ATOM 2042 O LYS A 127 9.478 10.790 5.059 1.00 0.00 O ATOM 2043 CB LYS A 127 6.785 12.749 4.962 1.00 0.00 C ATOM 2044 CG LYS A 127 7.330 12.978 6.370 1.00 0.00 C ATOM 2045 CD LYS A 127 8.501 13.962 6.401 1.00 0.00 C ATOM 2046 CE LYS A 127 8.090 15.370 5.987 1.00 0.00 C ATOM 2047 NZ LYS A 127 7.009 15.912 6.835 1.00 0.00 N ATOM 0 H LYS A 127 6.158 12.096 2.662 1.00 0.00 H new ATOM 0 HA LYS A 127 8.608 12.826 3.839 1.00 0.00 H new ATOM 0 HB2 LYS A 127 6.447 13.704 4.559 1.00 0.00 H new ATOM 0 HB3 LYS A 127 5.910 12.103 5.028 1.00 0.00 H new ATOM 0 HG2 LYS A 127 6.530 13.353 7.008 1.00 0.00 H new ATOM 0 HG3 LYS A 127 7.652 12.025 6.789 1.00 0.00 H new ATOM 0 HD2 LYS A 127 8.921 13.990 7.406 1.00 0.00 H new ATOM 0 HD3 LYS A 127 9.288 13.606 5.736 1.00 0.00 H new ATOM 0 HE2 LYS A 127 8.956 16.029 6.041 1.00 0.00 H new ATOM 0 HE3 LYS A 127 7.762 15.359 4.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 6.926 16.937 6.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 6.110 15.450 6.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 7.229 15.732 7.835 1.00 0.00 H new ATOM 2061 N ALA A 128 7.625 9.712 4.386 1.00 0.00 N ATOM 2062 CA ALA A 128 8.049 8.443 4.916 1.00 0.00 C ATOM 2063 C ALA A 128 9.238 7.936 4.127 1.00 0.00 C ATOM 2064 O ALA A 128 10.237 7.454 4.713 1.00 0.00 O ATOM 2065 CB ALA A 128 6.896 7.469 4.882 1.00 0.00 C ATOM 0 H ALA A 128 6.731 9.688 3.896 1.00 0.00 H new ATOM 0 HA ALA A 128 8.360 8.555 5.955 1.00 0.00 H new ATOM 0 HB1 ALA A 128 7.219 6.509 5.284 1.00 0.00 H new ATOM 0 HB2 ALA A 128 6.074 7.857 5.484 1.00 0.00 H new ATOM 0 HB3 ALA A 128 6.561 7.338 3.853 1.00 0.00 H new ATOM 2071 N GLU A 129 9.143 8.086 2.810 1.00 0.00 N ATOM 2072 CA GLU A 129 10.206 7.756 1.912 1.00 0.00 C ATOM 2073 C GLU A 129 11.452 8.509 2.317 1.00 0.00 C ATOM 2074 O GLU A 129 12.459 7.902 2.638 1.00 0.00 O ATOM 2075 CB GLU A 129 9.844 8.134 0.481 1.00 0.00 C ATOM 2076 CG GLU A 129 10.927 7.789 -0.508 1.00 0.00 C ATOM 2077 CD GLU A 129 10.716 8.406 -1.852 1.00 0.00 C ATOM 2078 OE1 GLU A 129 10.950 9.627 -1.996 1.00 0.00 O ATOM 2079 OE2 GLU A 129 10.381 7.701 -2.794 1.00 0.00 O ATOM 0 H GLU A 129 8.309 8.446 2.346 1.00 0.00 H new ATOM 0 HA GLU A 129 10.378 6.681 1.960 1.00 0.00 H new ATOM 0 HB2 GLU A 129 8.924 7.623 0.197 1.00 0.00 H new ATOM 0 HB3 GLU A 129 9.643 9.204 0.433 1.00 0.00 H new ATOM 0 HG2 GLU A 129 11.889 8.116 -0.112 1.00 0.00 H new ATOM 0 HG3 GLU A 129 10.979 6.706 -0.617 1.00 0.00 H new ATOM 2086 N ALA A 130 11.358 9.843 2.354 1.00 0.00 N ATOM 2087 CA ALA A 130 12.487 10.678 2.706 1.00 0.00 C ATOM 2088 C ALA A 130 13.012 10.355 4.092 1.00 0.00 C ATOM 2089 O ALA A 130 14.233 10.377 4.317 1.00 0.00 O ATOM 2090 CB ALA A 130 12.182 12.149 2.545 1.00 0.00 C ATOM 0 H ALA A 130 10.504 10.359 2.142 1.00 0.00 H new ATOM 0 HA ALA A 130 13.284 10.447 1.999 1.00 0.00 H new ATOM 0 HB1 ALA A 130 13.059 12.735 2.821 1.00 0.00 H new ATOM 0 HB2 ALA A 130 11.920 12.355 1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 130 11.347 12.420 3.191 1.00 0.00 H new ATOM 2096 N GLN A 131 12.106 10.000 5.006 1.00 0.00 N ATOM 2097 CA GLN A 131 12.507 9.568 6.320 1.00 0.00 C ATOM 2098 C GLN A 131 13.362 8.317 6.198 1.00 0.00 C ATOM 2099 O GLN A 131 14.476 8.275 6.698 1.00 0.00 O ATOM 2100 CB GLN A 131 11.283 9.333 7.232 1.00 0.00 C ATOM 2101 CG GLN A 131 11.616 8.938 8.676 1.00 0.00 C ATOM 2102 CD GLN A 131 11.424 7.458 9.016 1.00 0.00 C ATOM 2103 OE1 GLN A 131 11.150 7.124 10.170 1.00 0.00 O ATOM 2104 NE2 GLN A 131 11.507 6.574 8.045 1.00 0.00 N ATOM 0 H GLN A 131 11.098 10.008 4.849 1.00 0.00 H new ATOM 0 HA GLN A 131 13.099 10.354 6.788 1.00 0.00 H new ATOM 0 HB2 GLN A 131 10.682 10.242 7.249 1.00 0.00 H new ATOM 0 HB3 GLN A 131 10.665 8.551 6.791 1.00 0.00 H new ATOM 0 HG2 GLN A 131 12.653 9.208 8.878 1.00 0.00 H new ATOM 0 HG3 GLN A 131 10.996 9.531 9.348 1.00 0.00 H new ATOM 0 HE21 GLN A 131 11.735 6.877 7.098 1.00 0.00 H new ATOM 0 HE22 GLN A 131 11.343 5.586 8.239 1.00 0.00 H new ATOM 2113 N ALA A 132 12.898 7.352 5.414 1.00 0.00 N ATOM 2114 CA ALA A 132 13.587 6.078 5.293 1.00 0.00 C ATOM 2115 C ALA A 132 14.878 6.287 4.520 1.00 0.00 C ATOM 2116 O ALA A 132 15.877 5.586 4.710 1.00 0.00 O ATOM 2117 CB ALA A 132 12.680 5.075 4.600 1.00 0.00 C ATOM 0 H ALA A 132 12.049 7.429 4.854 1.00 0.00 H new ATOM 0 HA ALA A 132 13.834 5.682 6.278 1.00 0.00 H new ATOM 0 HB1 ALA A 132 13.197 4.119 4.509 1.00 0.00 H new ATOM 0 HB2 ALA A 132 11.770 4.942 5.186 1.00 0.00 H new ATOM 0 HB3 ALA A 132 12.421 5.443 3.607 1.00 0.00 H new ATOM 2123 N LYS A 133 14.862 7.307 3.711 1.00 0.00 N ATOM 2124 CA LYS A 133 15.966 7.695 2.902 1.00 0.00 C ATOM 2125 C LYS A 133 17.065 8.226 3.744 1.00 0.00 C ATOM 2126 O LYS A 133 18.210 7.781 3.646 1.00 0.00 O ATOM 2127 CB LYS A 133 15.514 8.736 1.931 1.00 0.00 C ATOM 2128 CG LYS A 133 14.823 8.175 0.740 1.00 0.00 C ATOM 2129 CD LYS A 133 14.407 9.261 -0.231 1.00 0.00 C ATOM 2130 CE LYS A 133 14.108 8.671 -1.598 1.00 0.00 C ATOM 2131 NZ LYS A 133 13.567 9.649 -2.566 1.00 0.00 N ATOM 0 H LYS A 133 14.047 7.909 3.597 1.00 0.00 H new ATOM 0 HA LYS A 133 16.341 6.826 2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 133 14.842 9.428 2.439 1.00 0.00 H new ATOM 0 HB3 LYS A 133 16.378 9.314 1.602 1.00 0.00 H new ATOM 0 HG2 LYS A 133 15.483 7.469 0.235 1.00 0.00 H new ATOM 0 HG3 LYS A 133 13.943 7.616 1.059 1.00 0.00 H new ATOM 0 HD2 LYS A 133 13.525 9.777 0.149 1.00 0.00 H new ATOM 0 HD3 LYS A 133 15.200 10.004 -0.315 1.00 0.00 H new ATOM 0 HE2 LYS A 133 15.023 8.239 -2.005 1.00 0.00 H new ATOM 0 HE3 LYS A 133 13.394 7.855 -1.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 13.483 9.202 -3.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 12.629 9.968 -2.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 14.208 10.466 -2.629 1.00 0.00 H new ATOM 2145 N LYS A 134 16.726 9.165 4.589 1.00 0.00 N ATOM 2146 CA LYS A 134 17.701 9.703 5.498 1.00 0.00 C ATOM 2147 C LYS A 134 18.099 8.653 6.543 1.00 0.00 C ATOM 2148 O LYS A 134 19.218 8.671 7.072 1.00 0.00 O ATOM 2149 CB LYS A 134 17.219 11.036 6.105 1.00 0.00 C ATOM 2150 CG LYS A 134 15.953 10.988 6.940 1.00 0.00 C ATOM 2151 CD LYS A 134 16.255 10.623 8.385 1.00 0.00 C ATOM 2152 CE LYS A 134 15.029 10.708 9.263 1.00 0.00 C ATOM 2153 NZ LYS A 134 14.520 12.091 9.397 1.00 0.00 N ATOM 0 H LYS A 134 15.792 9.569 4.666 1.00 0.00 H new ATOM 0 HA LYS A 134 18.610 9.945 4.948 1.00 0.00 H new ATOM 0 HB2 LYS A 134 18.021 11.436 6.726 1.00 0.00 H new ATOM 0 HB3 LYS A 134 17.063 11.743 5.291 1.00 0.00 H new ATOM 0 HG2 LYS A 134 15.455 11.957 6.904 1.00 0.00 H new ATOM 0 HG3 LYS A 134 15.263 10.259 6.516 1.00 0.00 H new ATOM 0 HD2 LYS A 134 16.659 9.612 8.426 1.00 0.00 H new ATOM 0 HD3 LYS A 134 17.025 11.290 8.773 1.00 0.00 H new ATOM 0 HE2 LYS A 134 14.245 10.075 8.848 1.00 0.00 H new ATOM 0 HE3 LYS A 134 15.267 10.315 10.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 13.839 12.136 10.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 15.313 12.736 9.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 14.050 12.375 8.514 1.00 0.00 H new ATOM 2167 N GLU A 135 17.179 7.728 6.812 1.00 0.00 N ATOM 2168 CA GLU A 135 17.443 6.614 7.719 1.00 0.00 C ATOM 2169 C GLU A 135 18.372 5.580 7.116 1.00 0.00 C ATOM 2170 O GLU A 135 19.061 4.883 7.854 1.00 0.00 O ATOM 2171 CB GLU A 135 16.162 5.931 8.093 1.00 0.00 C ATOM 2172 CG GLU A 135 15.318 6.723 9.033 1.00 0.00 C ATOM 2173 CD GLU A 135 15.894 6.760 10.411 1.00 0.00 C ATOM 2174 OE1 GLU A 135 16.693 7.668 10.724 1.00 0.00 O ATOM 2175 OE2 GLU A 135 15.582 5.864 11.209 1.00 0.00 O ATOM 0 H GLU A 135 16.241 7.729 6.412 1.00 0.00 H new ATOM 0 HA GLU A 135 17.925 7.043 8.598 1.00 0.00 H new ATOM 0 HB2 GLU A 135 15.590 5.727 7.188 1.00 0.00 H new ATOM 0 HB3 GLU A 135 16.393 4.968 8.548 1.00 0.00 H new ATOM 0 HG2 GLU A 135 15.214 7.741 8.657 1.00 0.00 H new ATOM 0 HG3 GLU A 135 14.317 6.293 9.070 1.00 0.00 H new ATOM 2182 N LYS A 136 18.344 5.457 5.773 1.00 0.00 N ATOM 2183 CA LYS A 136 19.136 4.464 5.027 1.00 0.00 C ATOM 2184 C LYS A 136 18.469 3.104 5.200 1.00 0.00 C ATOM 2185 O LYS A 136 19.121 2.067 5.349 1.00 0.00 O ATOM 2186 CB LYS A 136 20.630 4.430 5.464 1.00 0.00 C ATOM 2187 CG LYS A 136 21.497 5.617 5.018 1.00 0.00 C ATOM 2188 CD LYS A 136 21.806 5.554 3.522 1.00 0.00 C ATOM 2189 CE LYS A 136 22.774 6.641 3.085 1.00 0.00 C ATOM 2190 NZ LYS A 136 23.166 6.497 1.660 1.00 0.00 N ATOM 0 H LYS A 136 17.767 6.048 5.175 1.00 0.00 H new ATOM 0 HA LYS A 136 19.154 4.744 3.974 1.00 0.00 H new ATOM 0 HB2 LYS A 136 20.667 4.369 6.552 1.00 0.00 H new ATOM 0 HB3 LYS A 136 21.079 3.515 5.078 1.00 0.00 H new ATOM 0 HG2 LYS A 136 20.982 6.551 5.245 1.00 0.00 H new ATOM 0 HG3 LYS A 136 22.429 5.621 5.583 1.00 0.00 H new ATOM 0 HD2 LYS A 136 22.227 4.578 3.281 1.00 0.00 H new ATOM 0 HD3 LYS A 136 20.878 5.649 2.958 1.00 0.00 H new ATOM 0 HE2 LYS A 136 22.315 7.618 3.238 1.00 0.00 H new ATOM 0 HE3 LYS A 136 23.665 6.606 3.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 23.827 7.258 1.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 23.627 5.576 1.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 22.319 6.556 1.059 1.00 0.00 H new ATOM 2204 N LEU A 137 17.153 3.127 5.103 1.00 0.00 N ATOM 2205 CA LEU A 137 16.313 1.989 5.346 1.00 0.00 C ATOM 2206 C LEU A 137 16.161 1.041 4.170 1.00 0.00 C ATOM 2207 O LEU A 137 15.560 1.385 3.174 1.00 0.00 O ATOM 2208 CB LEU A 137 14.968 2.472 5.762 1.00 0.00 C ATOM 2209 CG LEU A 137 14.759 2.752 7.231 1.00 0.00 C ATOM 2210 CD1 LEU A 137 13.371 3.199 7.483 1.00 0.00 C ATOM 2211 CD2 LEU A 137 15.005 1.548 8.060 1.00 0.00 C ATOM 0 H LEU A 137 16.633 3.966 4.845 1.00 0.00 H new ATOM 0 HA LEU A 137 16.805 1.409 6.127 1.00 0.00 H new ATOM 0 HB2 LEU A 137 14.752 3.387 5.210 1.00 0.00 H new ATOM 0 HB3 LEU A 137 14.232 1.731 5.451 1.00 0.00 H new ATOM 0 HG LEU A 137 15.470 3.532 7.504 1.00 0.00 H new ATOM 0 HD11 LEU A 137 13.240 3.396 8.547 1.00 0.00 H new ATOM 0 HD12 LEU A 137 13.174 4.110 6.918 1.00 0.00 H new ATOM 0 HD13 LEU A 137 12.675 2.421 7.170 1.00 0.00 H new ATOM 0 HD21 LEU A 137 14.844 1.790 9.110 1.00 0.00 H new ATOM 0 HD22 LEU A 137 14.320 0.755 7.762 1.00 0.00 H new ATOM 0 HD23 LEU A 137 16.032 1.212 7.918 1.00 0.00 H new ATOM 2223 N ASN A 138 16.677 -0.159 4.346 1.00 0.00 N ATOM 2224 CA ASN A 138 16.619 -1.293 3.379 1.00 0.00 C ATOM 2225 C ASN A 138 17.017 -0.894 1.955 1.00 0.00 C ATOM 2226 O ASN A 138 18.193 -0.959 1.587 1.00 0.00 O ATOM 2227 CB ASN A 138 15.253 -2.014 3.368 1.00 0.00 C ATOM 2228 CG ASN A 138 14.840 -2.671 4.679 1.00 0.00 C ATOM 2229 OD1 ASN A 138 15.243 -3.802 4.979 1.00 0.00 O ATOM 2230 ND2 ASN A 138 13.973 -2.020 5.425 1.00 0.00 N ATOM 0 H ASN A 138 17.177 -0.406 5.200 1.00 0.00 H new ATOM 0 HA ASN A 138 17.364 -1.998 3.746 1.00 0.00 H new ATOM 0 HB2 ASN A 138 14.485 -1.293 3.087 1.00 0.00 H new ATOM 0 HB3 ASN A 138 15.273 -2.778 2.591 1.00 0.00 H new ATOM 0 HD21 ASN A 138 13.613 -2.447 6.279 1.00 0.00 H new ATOM 0 HD22 ASN A 138 13.661 -1.089 5.149 1.00 0.00 H new ATOM 2237 N ILE A 139 16.046 -0.429 1.167 1.00 0.00 N ATOM 2238 CA ILE A 139 16.302 0.052 -0.198 1.00 0.00 C ATOM 2239 C ILE A 139 17.075 1.324 -0.161 1.00 0.00 C ATOM 2240 O ILE A 139 17.704 1.704 -1.120 1.00 0.00 O ATOM 2241 CB ILE A 139 15.010 0.283 -0.987 1.00 0.00 C ATOM 2242 CG1 ILE A 139 14.044 1.217 -0.274 1.00 0.00 C ATOM 2243 CG2 ILE A 139 14.340 -1.022 -1.323 1.00 0.00 C ATOM 2244 CD1 ILE A 139 12.797 1.513 -1.078 1.00 0.00 C ATOM 0 H ILE A 139 15.068 -0.374 1.450 1.00 0.00 H new ATOM 0 HA ILE A 139 16.875 -0.727 -0.702 1.00 0.00 H new ATOM 0 HB ILE A 139 15.299 0.776 -1.915 1.00 0.00 H new ATOM 0 HG12 ILE A 139 13.757 0.773 0.679 1.00 0.00 H new ATOM 0 HG13 ILE A 139 14.554 2.154 -0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 139 13.425 -0.828 -1.883 1.00 0.00 H new ATOM 0 HG22 ILE A 139 15.013 -1.632 -1.927 1.00 0.00 H new ATOM 0 HG23 ILE A 139 14.096 -1.553 -0.403 1.00 0.00 H new ATOM 0 HD11 ILE A 139 12.151 2.184 -0.513 1.00 0.00 H new ATOM 0 HD12 ILE A 139 13.075 1.985 -2.020 1.00 0.00 H new ATOM 0 HD13 ILE A 139 12.266 0.583 -1.281 1.00 0.00 H new ATOM 2256 N TRP A 140 17.024 1.958 0.962 1.00 0.00 N ATOM 2257 CA TRP A 140 17.701 3.170 1.188 1.00 0.00 C ATOM 2258 C TRP A 140 19.060 2.921 1.805 1.00 0.00 C ATOM 2259 O TRP A 140 19.796 3.838 2.071 1.00 0.00 O ATOM 2260 CB TRP A 140 16.813 4.064 2.024 1.00 0.00 C ATOM 2261 CG TRP A 140 15.530 4.334 1.360 1.00 0.00 C ATOM 2262 CD1 TRP A 140 14.339 4.193 1.921 1.00 0.00 C ATOM 2263 CD2 TRP A 140 15.293 4.707 -0.014 1.00 0.00 C ATOM 2264 NE1 TRP A 140 13.357 4.446 1.031 1.00 0.00 N ATOM 2265 CE2 TRP A 140 13.908 4.768 -0.172 1.00 0.00 C ATOM 2266 CE3 TRP A 140 16.110 4.994 -1.115 1.00 0.00 C ATOM 2267 CZ2 TRP A 140 13.306 5.100 -1.379 1.00 0.00 C ATOM 2268 CZ3 TRP A 140 15.514 5.322 -2.310 1.00 0.00 C ATOM 2269 CH2 TRP A 140 14.125 5.370 -2.437 1.00 0.00 C ATOM 0 H TRP A 140 16.491 1.629 1.767 1.00 0.00 H new ATOM 0 HA TRP A 140 17.902 3.682 0.247 1.00 0.00 H new ATOM 0 HB2 TRP A 140 16.630 3.594 2.990 1.00 0.00 H new ATOM 0 HB3 TRP A 140 17.326 5.006 2.220 1.00 0.00 H new ATOM 0 HD1 TRP A 140 14.176 3.913 2.951 1.00 0.00 H new ATOM 0 HE1 TRP A 140 12.357 4.403 1.229 1.00 0.00 H new ATOM 0 HE3 TRP A 140 17.186 4.958 -1.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 12.231 5.143 -1.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 16.132 5.547 -3.166 1.00 0.00 H new ATOM 0 HH2 TRP A 140 13.689 5.626 -3.392 1.00 0.00 H new