USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 677 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 75 SER OG : rot 180:sc= -0.0805 USER MOD Set 1.2: A 86 THR OG1 : rot -96:sc= 0.431 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -111:sc= 0.0444 (180deg=-1.76!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.187 K(o=-0.19,f=-1.4!) USER MOD Single : A 24 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0564) USER MOD Single : A 28 THR OG1 : rot 68:sc= 0.781 USER MOD Single : A 30 SER OG : rot 57:sc= -2.31! USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.432 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -18.2! C(o=-18!,f=-11!) USER MOD Single : A 63 CYS SG : rot 24:sc= 0.027 USER MOD Single : A 64 LYS NZ :NH3+ -134:sc= -0.614 (180deg=-2.38!) USER MOD Single : A 69 GLN : amide:sc= -0.153 K(o=-0.15,f=-0.73) USER MOD Single : A 72 THR OG1 : rot -72:sc= 0.859 USER MOD Single : A 88 GLN : amide:sc= -1.33! K(o=-1.3!,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 174:sc= 1.25 (180deg=1.21) USER MOD Single : A 96 THR OG1 : rot -141:sc= -1.91! USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HE2:sc= -5.96! C(o=-6!,f=-8.9!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 MET CE :methyl 150:sc= -2.98 (180deg=-4.15!) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0.017 USER MOD Single : A 135 ASN : amide:sc= -5.04! C(o=-5!,f=-2.5!) USER MOD Single : A 140 LYS NZ :NH3+ 175:sc= 0.259 (180deg=0.239) USER MOD ----------------------------------------------------------------- ATOM 159 N ILE A 12 4.666 -3.933 -9.688 1.00 0.00 N ATOM 160 CA ILE A 12 3.539 -4.760 -9.322 1.00 0.00 C ATOM 161 C ILE A 12 2.275 -3.940 -9.412 1.00 0.00 C ATOM 162 O ILE A 12 2.180 -2.861 -8.835 1.00 0.00 O ATOM 163 CB ILE A 12 3.700 -5.304 -7.876 1.00 0.00 C ATOM 164 CG1 ILE A 12 4.835 -6.328 -7.820 1.00 0.00 C ATOM 165 CG2 ILE A 12 2.394 -5.901 -7.361 1.00 0.00 C ATOM 166 CD1 ILE A 12 5.252 -6.690 -6.413 1.00 0.00 C ATOM 0 HA ILE A 12 3.488 -5.607 -10.006 1.00 0.00 H new ATOM 0 HB ILE A 12 3.956 -4.470 -7.222 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.524 -7.233 -8.342 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.698 -5.932 -8.356 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.539 -6.273 -6.347 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.619 -5.134 -7.359 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.089 -6.723 -8.009 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.060 -7.420 -6.450 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.595 -5.795 -5.893 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.402 -7.116 -5.880 1.00 0.00 H new ATOM 178 N THR A 13 1.317 -4.435 -10.154 1.00 0.00 N ATOM 179 CA THR A 13 0.049 -3.770 -10.251 1.00 0.00 C ATOM 180 C THR A 13 -1.058 -4.730 -9.869 1.00 0.00 C ATOM 181 O THR A 13 -1.100 -5.872 -10.334 1.00 0.00 O ATOM 182 CB THR A 13 -0.181 -3.230 -11.673 1.00 0.00 C ATOM 183 OG1 THR A 13 0.989 -3.469 -12.476 1.00 0.00 O ATOM 184 CG2 THR A 13 -0.482 -1.736 -11.645 1.00 0.00 C ATOM 0 H THR A 13 1.394 -5.295 -10.698 1.00 0.00 H new ATOM 0 HA THR A 13 0.046 -2.923 -9.565 1.00 0.00 H new ATOM 0 HB THR A 13 -1.038 -3.748 -12.104 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.840 -3.126 -13.382 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.641 -1.378 -12.662 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.379 -1.557 -11.053 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.359 -1.204 -11.200 1.00 0.00 H new ATOM 192 N LYS A 14 -1.945 -4.267 -9.019 1.00 0.00 N ATOM 193 CA LYS A 14 -3.049 -5.070 -8.555 1.00 0.00 C ATOM 194 C LYS A 14 -4.319 -4.276 -8.749 1.00 0.00 C ATOM 195 O LYS A 14 -4.372 -3.101 -8.406 1.00 0.00 O ATOM 196 CB LYS A 14 -2.865 -5.435 -7.080 1.00 0.00 C ATOM 197 CG LYS A 14 -3.424 -6.802 -6.720 1.00 0.00 C ATOM 198 CD LYS A 14 -2.644 -7.916 -7.411 1.00 0.00 C ATOM 199 CE LYS A 14 -3.268 -9.280 -7.158 1.00 0.00 C ATOM 200 NZ LYS A 14 -2.508 -10.386 -7.803 1.00 0.00 N ATOM 0 H LYS A 14 -1.920 -3.324 -8.631 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.099 -6.000 -9.121 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.803 -5.410 -6.837 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.351 -4.679 -6.463 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.383 -6.942 -5.640 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.474 -6.856 -7.009 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.609 -7.725 -8.484 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.614 -7.915 -7.054 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.320 -9.458 -6.084 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.292 -9.282 -7.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.069 -10.784 -8.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.609 -10.018 -8.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.314 -11.129 -7.102 1.00 0.00 H new ATOM 214 N SER A 15 -5.334 -4.895 -9.291 1.00 0.00 N ATOM 215 CA SER A 15 -6.530 -4.170 -9.625 1.00 0.00 C ATOM 216 C SER A 15 -7.752 -4.740 -8.944 1.00 0.00 C ATOM 217 O SER A 15 -7.940 -5.955 -8.838 1.00 0.00 O ATOM 218 CB SER A 15 -6.717 -4.162 -11.132 1.00 0.00 C ATOM 219 OG SER A 15 -6.209 -5.351 -11.714 1.00 0.00 O ATOM 0 H SER A 15 -5.357 -5.891 -9.509 1.00 0.00 H new ATOM 0 HA SER A 15 -6.413 -3.148 -9.264 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.776 -4.060 -11.370 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.209 -3.298 -11.560 1.00 0.00 H new ATOM 0 HG SER A 15 -6.342 -5.323 -12.684 1.00 0.00 H new ATOM 225 N ILE A 16 -8.548 -3.820 -8.452 1.00 0.00 N ATOM 226 CA ILE A 16 -9.796 -4.113 -7.810 1.00 0.00 C ATOM 227 C ILE A 16 -10.738 -2.938 -7.967 1.00 0.00 C ATOM 228 O ILE A 16 -10.307 -1.793 -8.046 1.00 0.00 O ATOM 229 CB ILE A 16 -9.623 -4.434 -6.313 1.00 0.00 C ATOM 230 CG1 ILE A 16 -10.987 -4.384 -5.620 1.00 0.00 C ATOM 231 CG2 ILE A 16 -8.617 -3.498 -5.659 1.00 0.00 C ATOM 232 CD1 ILE A 16 -11.151 -3.321 -4.569 1.00 0.00 C ATOM 0 H ILE A 16 -8.335 -2.823 -8.491 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.210 -4.999 -8.292 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.220 -5.441 -6.208 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.754 -4.237 -6.380 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.175 -5.354 -5.160 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -8.518 -3.751 -4.603 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.649 -3.603 -6.150 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.962 -2.469 -5.755 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -12.154 -3.379 -4.146 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.415 -3.473 -3.780 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -11.003 -2.339 -5.018 1.00 0.00 H new ATOM 244 N THR A 17 -12.012 -3.214 -8.038 1.00 0.00 N ATOM 245 CA THR A 17 -12.982 -2.154 -8.002 1.00 0.00 C ATOM 246 C THR A 17 -13.507 -1.999 -6.587 1.00 0.00 C ATOM 247 O THR A 17 -14.077 -2.930 -6.017 1.00 0.00 O ATOM 248 CB THR A 17 -14.152 -2.429 -8.948 1.00 0.00 C ATOM 249 OG1 THR A 17 -13.659 -2.764 -10.251 1.00 0.00 O ATOM 250 CG2 THR A 17 -15.057 -1.217 -9.041 1.00 0.00 C ATOM 0 H THR A 17 -12.400 -4.154 -8.120 1.00 0.00 H new ATOM 0 HA THR A 17 -12.491 -1.237 -8.327 1.00 0.00 H new ATOM 0 HB THR A 17 -14.727 -3.266 -8.552 1.00 0.00 H new ATOM 0 HG1 THR A 17 -14.414 -2.940 -10.851 1.00 0.00 H new ATOM 0 HG21 THR A 17 -15.884 -1.431 -9.718 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.450 -0.980 -8.052 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.489 -0.367 -9.419 1.00 0.00 H new ATOM 258 N LEU A 18 -13.324 -0.819 -6.028 1.00 0.00 N ATOM 259 CA LEU A 18 -13.817 -0.522 -4.720 1.00 0.00 C ATOM 260 C LEU A 18 -15.172 0.044 -4.915 1.00 0.00 C ATOM 261 O LEU A 18 -15.295 1.141 -5.433 1.00 0.00 O ATOM 262 CB LEU A 18 -12.957 0.540 -4.039 1.00 0.00 C ATOM 263 CG LEU A 18 -11.479 0.226 -3.934 1.00 0.00 C ATOM 264 CD1 LEU A 18 -10.700 1.484 -3.635 1.00 0.00 C ATOM 265 CD2 LEU A 18 -11.224 -0.803 -2.854 1.00 0.00 C ATOM 0 H LEU A 18 -12.829 -0.048 -6.476 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.810 -1.419 -4.100 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.072 1.477 -4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -13.346 0.706 -3.034 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.149 -0.183 -4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.639 1.246 -3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.855 2.207 -4.436 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.043 1.908 -2.691 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.156 -1.013 -2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.570 -0.417 -1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.762 -1.721 -3.092 1.00 0.00 H new ATOM 277 N GLU A 19 -16.205 -0.668 -4.579 1.00 0.00 N ATOM 278 CA GLU A 19 -17.484 -0.047 -4.719 1.00 0.00 C ATOM 279 C GLU A 19 -17.615 0.952 -3.583 1.00 0.00 C ATOM 280 O GLU A 19 -18.116 0.644 -2.502 1.00 0.00 O ATOM 281 CB GLU A 19 -18.563 -1.128 -4.679 1.00 0.00 C ATOM 282 CG GLU A 19 -18.056 -2.449 -4.104 1.00 0.00 C ATOM 283 CD GLU A 19 -18.596 -3.655 -4.845 1.00 0.00 C ATOM 284 OE1 GLU A 19 -17.947 -4.097 -5.816 1.00 0.00 O ATOM 285 OE2 GLU A 19 -19.664 -4.171 -4.457 1.00 0.00 O ATOM 0 H GLU A 19 -16.194 -1.625 -4.226 1.00 0.00 H new ATOM 0 HA GLU A 19 -17.596 0.479 -5.667 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -19.403 -0.775 -4.080 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.939 -1.297 -5.688 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.967 -2.463 -4.141 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.340 -2.516 -3.054 1.00 0.00 H new ATOM 292 N ALA A 20 -17.152 2.164 -3.865 1.00 0.00 N ATOM 293 CA ALA A 20 -17.150 3.238 -2.889 1.00 0.00 C ATOM 294 C ALA A 20 -17.153 4.598 -3.564 1.00 0.00 C ATOM 295 O ALA A 20 -16.952 4.693 -4.767 1.00 0.00 O ATOM 296 CB ALA A 20 -15.942 3.108 -1.982 1.00 0.00 C ATOM 0 H ALA A 20 -16.770 2.426 -4.774 1.00 0.00 H new ATOM 0 HA ALA A 20 -18.060 3.158 -2.294 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -15.947 3.917 -1.252 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -15.978 2.150 -1.463 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -15.031 3.163 -2.579 1.00 0.00 H new ATOM 302 N PRO A 21 -17.367 5.667 -2.802 1.00 0.00 N ATOM 303 CA PRO A 21 -17.061 7.016 -3.258 1.00 0.00 C ATOM 304 C PRO A 21 -15.584 7.325 -3.048 1.00 0.00 C ATOM 305 O PRO A 21 -14.930 6.690 -2.213 1.00 0.00 O ATOM 306 CB PRO A 21 -17.915 7.882 -2.350 1.00 0.00 C ATOM 307 CG PRO A 21 -17.958 7.120 -1.069 1.00 0.00 C ATOM 308 CD PRO A 21 -17.913 5.659 -1.438 1.00 0.00 C ATOM 0 HA PRO A 21 -17.260 7.170 -4.319 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -17.477 8.871 -2.213 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -18.914 8.030 -2.761 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -17.115 7.385 -0.431 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -18.865 7.351 -0.510 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -17.280 5.092 -0.756 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -18.904 5.206 -1.405 1.00 0.00 H new ATOM 316 N ILE A 22 -15.064 8.298 -3.776 1.00 0.00 N ATOM 317 CA ILE A 22 -13.651 8.649 -3.678 1.00 0.00 C ATOM 318 C ILE A 22 -13.283 8.985 -2.233 1.00 0.00 C ATOM 319 O ILE A 22 -12.215 8.637 -1.746 1.00 0.00 O ATOM 320 CB ILE A 22 -13.300 9.836 -4.602 1.00 0.00 C ATOM 321 CG1 ILE A 22 -11.785 10.040 -4.646 1.00 0.00 C ATOM 322 CG2 ILE A 22 -14.021 11.107 -4.180 1.00 0.00 C ATOM 323 CD1 ILE A 22 -11.107 9.168 -5.677 1.00 0.00 C ATOM 0 H ILE A 22 -15.595 8.860 -4.441 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.072 7.784 -4.002 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.644 9.598 -5.608 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.570 11.086 -4.863 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.365 9.826 -3.663 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -13.749 11.920 -4.853 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.098 10.945 -4.222 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.733 11.368 -3.162 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -10.033 9.356 -5.663 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.295 8.119 -5.447 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -11.503 9.399 -6.666 1.00 0.00 H new ATOM 335 N GLN A 23 -14.223 9.618 -1.562 1.00 0.00 N ATOM 336 CA GLN A 23 -14.070 10.086 -0.191 1.00 0.00 C ATOM 337 C GLN A 23 -13.810 8.967 0.827 1.00 0.00 C ATOM 338 O GLN A 23 -13.112 9.183 1.820 1.00 0.00 O ATOM 339 CB GLN A 23 -15.321 10.848 0.181 1.00 0.00 C ATOM 340 CG GLN A 23 -16.542 10.005 -0.037 1.00 0.00 C ATOM 341 CD GLN A 23 -17.799 10.828 -0.256 1.00 0.00 C ATOM 342 OE1 GLN A 23 -17.747 11.924 -0.817 1.00 0.00 O ATOM 343 NE2 GLN A 23 -18.932 10.313 0.197 1.00 0.00 N ATOM 0 H GLN A 23 -15.138 9.829 -1.960 1.00 0.00 H new ATOM 0 HA GLN A 23 -13.184 10.720 -0.154 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -15.268 11.156 1.225 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -15.390 11.757 -0.416 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -16.382 9.360 -0.901 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -16.686 9.354 0.825 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -18.931 9.402 0.656 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -19.806 10.827 0.087 1.00 0.00 H new ATOM 352 N LYS A 24 -14.366 7.780 0.615 1.00 0.00 N ATOM 353 CA LYS A 24 -14.186 6.718 1.598 1.00 0.00 C ATOM 354 C LYS A 24 -12.841 6.034 1.380 1.00 0.00 C ATOM 355 O LYS A 24 -12.135 5.685 2.322 1.00 0.00 O ATOM 356 CB LYS A 24 -15.327 5.700 1.516 1.00 0.00 C ATOM 357 CG LYS A 24 -15.935 5.357 2.870 1.00 0.00 C ATOM 358 CD LYS A 24 -14.921 4.706 3.800 1.00 0.00 C ATOM 359 CE LYS A 24 -15.488 4.485 5.195 1.00 0.00 C ATOM 360 NZ LYS A 24 -16.683 3.596 5.193 1.00 0.00 N ATOM 0 H LYS A 24 -14.927 7.533 -0.200 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.202 7.159 2.595 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -16.108 6.093 0.865 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.955 4.786 1.052 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -16.323 6.264 3.334 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -16.781 4.685 2.728 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.606 3.750 3.381 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.033 5.334 3.865 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.717 4.050 5.832 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.756 5.447 5.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.979 3.410 6.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.459 4.059 4.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.446 2.697 4.726 1.00 0.00 H new ATOM 374 N VAL A 25 -12.468 5.905 0.127 1.00 0.00 N ATOM 375 CA VAL A 25 -11.139 5.452 -0.238 1.00 0.00 C ATOM 376 C VAL A 25 -10.107 6.503 0.168 1.00 0.00 C ATOM 377 O VAL A 25 -8.978 6.189 0.509 1.00 0.00 O ATOM 378 CB VAL A 25 -11.029 5.116 -1.730 1.00 0.00 C ATOM 379 CG1 VAL A 25 -9.800 4.254 -1.962 1.00 0.00 C ATOM 380 CG2 VAL A 25 -12.291 4.409 -2.221 1.00 0.00 C ATOM 0 H VAL A 25 -13.073 6.110 -0.668 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.939 4.527 0.302 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.928 6.040 -2.299 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.719 4.013 -3.022 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.910 4.797 -1.644 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.888 3.332 -1.387 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.191 4.180 -3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.431 3.484 -1.662 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -13.154 5.058 -2.070 1.00 0.00 H new ATOM 390 N TRP A 26 -10.518 7.756 0.089 1.00 0.00 N ATOM 391 CA TRP A 26 -9.738 8.895 0.574 1.00 0.00 C ATOM 392 C TRP A 26 -9.375 8.678 2.024 1.00 0.00 C ATOM 393 O TRP A 26 -8.264 8.953 2.451 1.00 0.00 O ATOM 394 CB TRP A 26 -10.650 10.108 0.495 1.00 0.00 C ATOM 395 CG TRP A 26 -10.013 11.422 0.224 1.00 0.00 C ATOM 396 CD1 TRP A 26 -9.103 12.120 0.961 1.00 0.00 C ATOM 397 CD2 TRP A 26 -10.320 12.210 -0.899 1.00 0.00 C ATOM 398 NE1 TRP A 26 -8.827 13.317 0.331 1.00 0.00 N ATOM 399 CE2 TRP A 26 -9.571 13.387 -0.827 1.00 0.00 C ATOM 400 CE3 TRP A 26 -11.168 12.000 -1.966 1.00 0.00 C ATOM 401 CZ2 TRP A 26 -9.663 14.374 -1.811 1.00 0.00 C ATOM 402 CZ3 TRP A 26 -11.267 12.952 -2.937 1.00 0.00 C ATOM 403 CH2 TRP A 26 -10.518 14.136 -2.864 1.00 0.00 C ATOM 0 H TRP A 26 -11.415 8.021 -0.319 1.00 0.00 H new ATOM 0 HA TRP A 26 -8.828 9.021 -0.013 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -11.389 9.924 -0.285 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -11.193 10.184 1.437 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -8.667 11.789 1.892 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -8.180 14.031 0.667 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -11.748 11.091 -2.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -9.088 15.286 -1.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -11.931 12.792 -3.774 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -10.614 14.874 -3.647 1.00 0.00 H new ATOM 414 N GLU A 27 -10.356 8.196 2.757 1.00 0.00 N ATOM 415 CA GLU A 27 -10.197 7.780 4.136 1.00 0.00 C ATOM 416 C GLU A 27 -9.301 6.539 4.233 1.00 0.00 C ATOM 417 O GLU A 27 -8.674 6.291 5.261 1.00 0.00 O ATOM 418 CB GLU A 27 -11.575 7.466 4.710 1.00 0.00 C ATOM 419 CG GLU A 27 -11.614 7.327 6.218 1.00 0.00 C ATOM 420 CD GLU A 27 -11.403 8.648 6.919 1.00 0.00 C ATOM 421 OE1 GLU A 27 -12.283 9.531 6.805 1.00 0.00 O ATOM 422 OE2 GLU A 27 -10.355 8.818 7.574 1.00 0.00 O ATOM 0 H GLU A 27 -11.306 8.080 2.405 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.724 8.583 4.701 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.266 8.255 4.413 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.938 6.540 4.264 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.575 6.908 6.518 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.846 6.622 6.536 1.00 0.00 H new ATOM 429 N THR A 28 -9.327 5.724 3.182 1.00 0.00 N ATOM 430 CA THR A 28 -8.677 4.418 3.191 1.00 0.00 C ATOM 431 C THR A 28 -7.295 4.293 2.473 1.00 0.00 C ATOM 432 O THR A 28 -6.680 3.248 2.574 1.00 0.00 O ATOM 433 CB THR A 28 -9.636 3.331 2.691 1.00 0.00 C ATOM 434 OG1 THR A 28 -10.942 3.544 3.247 1.00 0.00 O ATOM 435 CG2 THR A 28 -9.146 1.969 3.128 1.00 0.00 C ATOM 0 H THR A 28 -9.797 5.949 2.305 1.00 0.00 H new ATOM 0 HA THR A 28 -8.429 4.277 4.243 1.00 0.00 H new ATOM 0 HB THR A 28 -9.679 3.378 1.603 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.326 4.366 2.876 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.833 1.203 2.769 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.154 1.789 2.715 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.098 1.932 4.216 1.00 0.00 H new ATOM 443 N VAL A 29 -6.799 5.282 1.723 1.00 0.00 N ATOM 444 CA VAL A 29 -5.528 5.076 0.983 1.00 0.00 C ATOM 445 C VAL A 29 -4.514 6.207 1.171 1.00 0.00 C ATOM 446 O VAL A 29 -3.437 5.997 1.711 1.00 0.00 O ATOM 447 CB VAL A 29 -5.711 4.802 -0.538 1.00 0.00 C ATOM 448 CG1 VAL A 29 -6.479 3.529 -0.761 1.00 0.00 C ATOM 449 CG2 VAL A 29 -6.381 5.954 -1.263 1.00 0.00 C ATOM 0 H VAL A 29 -7.228 6.200 1.607 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.127 4.172 1.442 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.711 4.696 -0.959 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.595 3.357 -1.831 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.937 2.694 -0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.462 3.611 -0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.483 5.709 -2.320 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.368 6.129 -0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.774 6.853 -1.156 1.00 0.00 H new ATOM 459 N SER A 30 -4.821 7.396 0.721 1.00 0.00 N ATOM 460 CA SER A 30 -3.862 8.480 0.837 1.00 0.00 C ATOM 461 C SER A 30 -4.185 9.296 2.058 1.00 0.00 C ATOM 462 O SER A 30 -4.591 10.454 1.973 1.00 0.00 O ATOM 463 CB SER A 30 -3.874 9.346 -0.405 1.00 0.00 C ATOM 464 OG SER A 30 -5.187 9.780 -0.706 1.00 0.00 O ATOM 0 H SER A 30 -5.706 7.642 0.279 1.00 0.00 H new ATOM 0 HA SER A 30 -2.860 8.063 0.937 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.226 10.210 -0.257 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.470 8.785 -1.248 1.00 0.00 H new ATOM 0 HG SER A 30 -5.555 10.265 0.062 1.00 0.00 H new ATOM 470 N THR A 31 -4.040 8.659 3.189 1.00 0.00 N ATOM 471 CA THR A 31 -4.529 9.199 4.416 1.00 0.00 C ATOM 472 C THR A 31 -3.753 8.625 5.581 1.00 0.00 C ATOM 473 O THR A 31 -2.775 7.914 5.384 1.00 0.00 O ATOM 474 CB THR A 31 -6.047 8.948 4.523 1.00 0.00 C ATOM 475 OG1 THR A 31 -6.558 9.257 5.829 1.00 0.00 O ATOM 476 CG2 THR A 31 -6.361 7.515 4.146 1.00 0.00 C ATOM 0 H THR A 31 -3.580 7.753 3.279 1.00 0.00 H new ATOM 0 HA THR A 31 -4.378 10.278 4.440 1.00 0.00 H new ATOM 0 HB THR A 31 -6.545 9.620 3.824 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.523 9.085 5.852 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.435 7.345 4.224 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.038 7.329 3.122 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.837 6.838 4.821 1.00 0.00 H new ATOM 484 N SER A 32 -4.142 9.012 6.765 1.00 0.00 N ATOM 485 CA SER A 32 -3.582 8.487 7.987 1.00 0.00 C ATOM 486 C SER A 32 -3.893 7.004 8.081 1.00 0.00 C ATOM 487 O SER A 32 -4.622 6.461 7.249 1.00 0.00 O ATOM 488 CB SER A 32 -4.134 9.206 9.206 1.00 0.00 C ATOM 489 OG SER A 32 -3.974 10.613 9.077 1.00 0.00 O ATOM 0 H SER A 32 -4.869 9.712 6.914 1.00 0.00 H new ATOM 0 HA SER A 32 -2.504 8.645 7.967 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.190 8.965 9.329 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.621 8.858 10.103 1.00 0.00 H new ATOM 0 HG SER A 32 -4.337 11.058 9.871 1.00 0.00 H new ATOM 495 N GLU A 33 -3.280 6.370 9.064 1.00 0.00 N ATOM 496 CA GLU A 33 -3.089 4.922 9.175 1.00 0.00 C ATOM 497 C GLU A 33 -4.359 4.084 8.952 1.00 0.00 C ATOM 498 O GLU A 33 -4.307 2.858 9.018 1.00 0.00 O ATOM 499 CB GLU A 33 -2.495 4.620 10.543 1.00 0.00 C ATOM 500 CG GLU A 33 -1.713 5.793 11.110 1.00 0.00 C ATOM 501 CD GLU A 33 -2.434 6.461 12.258 1.00 0.00 C ATOM 502 OE1 GLU A 33 -2.288 6.000 13.412 1.00 0.00 O ATOM 503 OE2 GLU A 33 -3.154 7.451 12.011 1.00 0.00 O ATOM 0 H GLU A 33 -2.877 6.873 9.854 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.416 4.630 8.369 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.296 4.354 11.233 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.839 3.753 10.467 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.737 5.446 11.449 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.535 6.524 10.321 1.00 0.00 H new ATOM 510 N GLY A 34 -5.498 4.723 8.753 1.00 0.00 N ATOM 511 CA GLY A 34 -6.665 3.984 8.319 1.00 0.00 C ATOM 512 C GLY A 34 -6.380 3.249 7.022 1.00 0.00 C ATOM 513 O GLY A 34 -6.873 2.139 6.815 1.00 0.00 O ATOM 0 H GLY A 34 -5.637 5.725 8.881 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.958 3.272 9.090 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.503 4.667 8.180 1.00 0.00 H new ATOM 517 N ILE A 35 -5.574 3.855 6.144 1.00 0.00 N ATOM 518 CA ILE A 35 -5.084 3.159 4.983 1.00 0.00 C ATOM 519 C ILE A 35 -4.103 2.055 5.371 1.00 0.00 C ATOM 520 O ILE A 35 -4.069 0.983 4.776 1.00 0.00 O ATOM 521 CB ILE A 35 -4.463 4.124 3.957 1.00 0.00 C ATOM 522 CG1 ILE A 35 -3.613 3.377 2.925 1.00 0.00 C ATOM 523 CG2 ILE A 35 -3.668 5.240 4.612 1.00 0.00 C ATOM 524 CD1 ILE A 35 -2.132 3.506 3.179 1.00 0.00 C ATOM 0 H ILE A 35 -5.257 4.821 6.227 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.942 2.688 4.504 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.296 4.593 3.434 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.887 2.322 2.932 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.840 3.759 1.930 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.252 5.891 3.843 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.323 5.820 5.263 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.857 4.812 5.202 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.583 2.956 2.415 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.847 4.558 3.144 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.894 3.098 4.161 1.00 0.00 H new ATOM 536 N ALA A 36 -3.316 2.340 6.383 1.00 0.00 N ATOM 537 CA ALA A 36 -2.346 1.381 6.922 1.00 0.00 C ATOM 538 C ALA A 36 -3.009 0.040 7.280 1.00 0.00 C ATOM 539 O ALA A 36 -2.354 -0.998 7.278 1.00 0.00 O ATOM 540 CB ALA A 36 -1.622 1.965 8.132 1.00 0.00 C ATOM 0 H ALA A 36 -3.321 3.240 6.864 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.612 1.185 6.140 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.908 1.236 8.515 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.093 2.871 7.837 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.348 2.205 8.909 1.00 0.00 H new ATOM 689 N GLN A 45 0.559 8.222 6.204 1.00 0.00 N ATOM 690 CA GLN A 45 -0.249 9.424 6.324 1.00 0.00 C ATOM 691 C GLN A 45 0.037 10.226 5.076 1.00 0.00 C ATOM 692 O GLN A 45 1.178 10.208 4.619 1.00 0.00 O ATOM 693 CB GLN A 45 0.179 10.210 7.567 1.00 0.00 C ATOM 694 CG GLN A 45 -0.147 9.519 8.883 1.00 0.00 C ATOM 695 CD GLN A 45 0.908 9.766 9.943 1.00 0.00 C ATOM 696 OE1 GLN A 45 0.871 10.767 10.657 1.00 0.00 O ATOM 697 NE2 GLN A 45 1.843 8.836 10.072 1.00 0.00 N ATOM 0 HA GLN A 45 -1.311 9.199 6.425 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.253 10.388 7.519 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.307 11.186 7.552 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.112 9.872 9.246 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -0.243 8.447 8.713 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.839 8.020 9.460 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.567 8.936 10.784 1.00 0.00 H new ATOM 706 N LEU A 46 -0.937 10.922 4.497 1.00 0.00 N ATOM 707 CA LEU A 46 -0.645 11.574 3.233 1.00 0.00 C ATOM 708 C LEU A 46 0.250 12.776 3.491 1.00 0.00 C ATOM 709 O LEU A 46 -0.154 13.823 3.999 1.00 0.00 O ATOM 710 CB LEU A 46 -1.912 11.949 2.437 1.00 0.00 C ATOM 711 CG LEU A 46 -2.681 13.186 2.896 1.00 0.00 C ATOM 712 CD1 LEU A 46 -3.762 13.545 1.889 1.00 0.00 C ATOM 713 CD2 LEU A 46 -3.295 12.980 4.275 1.00 0.00 C ATOM 0 H LEU A 46 -1.883 11.044 4.860 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.118 10.864 2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.626 12.096 1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.593 11.098 2.464 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.971 14.010 2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.300 14.429 2.232 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.304 13.752 0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.458 12.712 1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.835 13.879 4.571 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.985 12.137 4.244 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.505 12.776 4.998 1.00 0.00 H new ATOM 725 N LYS A 47 1.497 12.535 3.177 1.00 0.00 N ATOM 726 CA LYS A 47 2.596 13.447 3.358 1.00 0.00 C ATOM 727 C LYS A 47 3.387 13.459 2.084 1.00 0.00 C ATOM 728 O LYS A 47 3.263 12.537 1.320 1.00 0.00 O ATOM 729 CB LYS A 47 3.443 13.003 4.535 1.00 0.00 C ATOM 730 CG LYS A 47 2.967 13.599 5.841 1.00 0.00 C ATOM 731 CD LYS A 47 3.602 12.924 7.044 1.00 0.00 C ATOM 732 CE LYS A 47 3.033 13.465 8.342 1.00 0.00 C ATOM 733 NZ LYS A 47 3.553 12.738 9.531 1.00 0.00 N ATOM 0 H LYS A 47 1.788 11.648 2.766 1.00 0.00 H new ATOM 0 HA LYS A 47 2.242 14.455 3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.422 11.915 4.605 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.480 13.291 4.363 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.200 14.664 5.859 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.883 13.509 5.906 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.434 11.848 6.991 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.681 13.080 7.024 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.277 14.524 8.430 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.946 13.390 8.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.137 13.142 10.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.298 11.732 9.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.588 12.831 9.569 1.00 0.00 H new ATOM 747 N GLU A 48 4.065 14.526 1.769 1.00 0.00 N ATOM 748 CA GLU A 48 4.928 14.516 0.595 1.00 0.00 C ATOM 749 C GLU A 48 6.363 14.900 0.913 1.00 0.00 C ATOM 750 O GLU A 48 6.613 15.895 1.591 1.00 0.00 O ATOM 751 CB GLU A 48 4.357 15.361 -0.513 1.00 0.00 C ATOM 752 CG GLU A 48 3.342 14.618 -1.354 1.00 0.00 C ATOM 753 CD GLU A 48 2.659 15.545 -2.331 1.00 0.00 C ATOM 754 OE1 GLU A 48 1.934 16.458 -1.889 1.00 0.00 O ATOM 755 OE2 GLU A 48 2.861 15.374 -3.550 1.00 0.00 O ATOM 0 H GLU A 48 4.047 15.403 2.289 1.00 0.00 H new ATOM 0 HA GLU A 48 4.962 13.485 0.244 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.888 16.246 -0.084 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.168 15.709 -1.153 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.836 13.812 -1.897 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.597 14.156 -0.706 1.00 0.00 H new ATOM 762 N GLY A 49 7.294 14.094 0.415 1.00 0.00 N ATOM 763 CA GLY A 49 8.718 14.356 0.584 1.00 0.00 C ATOM 764 C GLY A 49 9.104 14.504 2.040 1.00 0.00 C ATOM 765 O GLY A 49 9.993 15.279 2.398 1.00 0.00 O ATOM 0 H GLY A 49 7.085 13.247 -0.113 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.291 13.542 0.139 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.985 15.265 0.045 1.00 0.00 H new ATOM 769 N GLN A 50 8.421 13.737 2.855 1.00 0.00 N ATOM 770 CA GLN A 50 8.507 13.794 4.287 1.00 0.00 C ATOM 771 C GLN A 50 9.263 12.585 4.771 1.00 0.00 C ATOM 772 O GLN A 50 9.589 11.711 3.978 1.00 0.00 O ATOM 773 CB GLN A 50 7.090 13.769 4.851 1.00 0.00 C ATOM 774 CG GLN A 50 6.584 12.368 5.097 1.00 0.00 C ATOM 775 CD GLN A 50 6.454 11.605 3.813 1.00 0.00 C ATOM 776 OE1 GLN A 50 6.708 10.415 3.760 1.00 0.00 O ATOM 777 NE2 GLN A 50 6.045 12.295 2.769 1.00 0.00 N ATOM 0 H GLN A 50 7.766 13.030 2.522 1.00 0.00 H new ATOM 0 HA GLN A 50 9.020 14.700 4.610 1.00 0.00 H new ATOM 0 HB2 GLN A 50 7.066 14.329 5.786 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.419 14.277 4.158 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.266 11.844 5.767 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.617 12.411 5.597 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.844 13.291 2.863 1.00 0.00 H new ATOM 0 HE22 GLN A 50 5.929 11.834 1.867 1.00 0.00 H new ATOM 786 N GLU A 51 9.559 12.532 6.042 1.00 0.00 N ATOM 787 CA GLU A 51 9.824 11.249 6.633 1.00 0.00 C ATOM 788 C GLU A 51 8.791 10.977 7.718 1.00 0.00 C ATOM 789 O GLU A 51 8.564 11.820 8.584 1.00 0.00 O ATOM 790 CB GLU A 51 11.238 11.154 7.206 1.00 0.00 C ATOM 791 CG GLU A 51 12.330 10.984 6.161 1.00 0.00 C ATOM 792 CD GLU A 51 12.680 12.270 5.452 1.00 0.00 C ATOM 793 OE1 GLU A 51 13.105 13.230 6.132 1.00 0.00 O ATOM 794 OE2 GLU A 51 12.568 12.320 4.209 1.00 0.00 O ATOM 0 H GLU A 51 9.622 13.333 6.670 1.00 0.00 H new ATOM 0 HA GLU A 51 9.752 10.494 5.850 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.443 12.054 7.785 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.281 10.313 7.898 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.224 10.586 6.641 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.008 10.247 5.425 1.00 0.00 H new ATOM 966 N CYS A 63 10.336 6.641 6.318 1.00 0.00 N ATOM 967 CA CYS A 63 9.757 6.511 4.997 1.00 0.00 C ATOM 968 C CYS A 63 9.469 7.889 4.419 1.00 0.00 C ATOM 969 O CYS A 63 9.309 8.844 5.171 1.00 0.00 O ATOM 970 CB CYS A 63 8.477 5.704 5.134 1.00 0.00 C ATOM 971 SG CYS A 63 8.661 4.260 6.200 1.00 0.00 S ATOM 0 HA CYS A 63 10.445 6.006 4.319 1.00 0.00 H new ATOM 0 HB2 CYS A 63 7.691 6.345 5.533 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.152 5.379 4.146 1.00 0.00 H new ATOM 0 HG CYS A 63 9.652 4.449 7.020 1.00 0.00 H new ATOM 977 N LYS A 64 9.378 7.991 3.098 1.00 0.00 N ATOM 978 CA LYS A 64 9.254 9.285 2.447 1.00 0.00 C ATOM 979 C LYS A 64 8.293 9.185 1.283 1.00 0.00 C ATOM 980 O LYS A 64 8.375 8.251 0.484 1.00 0.00 O ATOM 981 CB LYS A 64 10.628 9.771 1.951 1.00 0.00 C ATOM 982 CG LYS A 64 11.293 8.822 0.960 1.00 0.00 C ATOM 983 CD LYS A 64 12.593 9.381 0.391 1.00 0.00 C ATOM 984 CE LYS A 64 13.725 9.378 1.410 1.00 0.00 C ATOM 985 NZ LYS A 64 13.676 10.548 2.328 1.00 0.00 N ATOM 0 H LYS A 64 9.388 7.195 2.461 1.00 0.00 H new ATOM 0 HA LYS A 64 8.869 10.004 3.170 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.510 10.748 1.482 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.287 9.907 2.809 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.496 7.872 1.454 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.603 8.615 0.142 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.889 8.792 -0.477 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.425 10.400 0.043 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.678 8.460 1.996 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.680 9.373 0.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.626 10.962 2.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.020 11.260 1.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.347 10.240 3.265 1.00 0.00 H new ATOM 999 N VAL A 65 7.362 10.114 1.188 1.00 0.00 N ATOM 1000 CA VAL A 65 6.449 10.094 0.070 1.00 0.00 C ATOM 1001 C VAL A 65 7.071 10.751 -1.139 1.00 0.00 C ATOM 1002 O VAL A 65 7.543 11.883 -1.081 1.00 0.00 O ATOM 1003 CB VAL A 65 5.117 10.780 0.389 1.00 0.00 C ATOM 1004 CG1 VAL A 65 4.287 10.968 -0.866 1.00 0.00 C ATOM 1005 CG2 VAL A 65 4.323 9.976 1.404 1.00 0.00 C ATOM 0 H VAL A 65 7.221 10.873 1.855 1.00 0.00 H new ATOM 0 HA VAL A 65 6.244 9.045 -0.143 1.00 0.00 H new ATOM 0 HB VAL A 65 5.347 11.758 0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.347 11.457 -0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.836 11.586 -1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.080 9.996 -1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.382 10.484 1.614 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.118 8.984 1.002 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.898 9.883 2.325 1.00 0.00 H new ATOM 1015 N LEU A 66 7.074 10.010 -2.225 1.00 0.00 N ATOM 1016 CA LEU A 66 7.475 10.526 -3.512 1.00 0.00 C ATOM 1017 C LEU A 66 6.548 11.661 -3.923 1.00 0.00 C ATOM 1018 O LEU A 66 6.987 12.776 -4.211 1.00 0.00 O ATOM 1019 CB LEU A 66 7.421 9.400 -4.553 1.00 0.00 C ATOM 1020 CG LEU A 66 8.714 8.617 -4.735 1.00 0.00 C ATOM 1021 CD1 LEU A 66 9.853 9.555 -5.100 1.00 0.00 C ATOM 1022 CD2 LEU A 66 9.037 7.835 -3.477 1.00 0.00 C ATOM 0 H LEU A 66 6.797 9.028 -2.239 1.00 0.00 H new ATOM 0 HA LEU A 66 8.494 10.908 -3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.631 8.704 -4.270 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.138 9.830 -5.514 1.00 0.00 H new ATOM 0 HG LEU A 66 8.584 7.908 -5.552 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.771 8.981 -5.227 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.616 10.070 -6.031 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.990 10.287 -4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.964 7.280 -3.622 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.153 8.524 -2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.226 7.138 -3.264 1.00 0.00 H new ATOM 1034 N ALA A 67 5.263 11.355 -3.925 1.00 0.00 N ATOM 1035 CA ALA A 67 4.240 12.269 -4.364 1.00 0.00 C ATOM 1036 C ALA A 67 2.921 11.832 -3.774 1.00 0.00 C ATOM 1037 O ALA A 67 2.679 10.634 -3.616 1.00 0.00 O ATOM 1038 CB ALA A 67 4.155 12.288 -5.874 1.00 0.00 C ATOM 0 H ALA A 67 4.903 10.452 -3.617 1.00 0.00 H new ATOM 0 HA ALA A 67 4.483 13.277 -4.029 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.377 12.984 -6.186 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.112 12.604 -6.288 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.915 11.289 -6.238 1.00 0.00 H new ATOM 1044 N VAL A 68 2.072 12.764 -3.441 1.00 0.00 N ATOM 1045 CA VAL A 68 0.756 12.399 -3.002 1.00 0.00 C ATOM 1046 C VAL A 68 -0.296 13.281 -3.676 1.00 0.00 C ATOM 1047 O VAL A 68 -0.191 14.511 -3.720 1.00 0.00 O ATOM 1048 CB VAL A 68 0.596 12.364 -1.455 1.00 0.00 C ATOM 1049 CG1 VAL A 68 0.210 13.717 -0.877 1.00 0.00 C ATOM 1050 CG2 VAL A 68 -0.416 11.296 -1.082 1.00 0.00 C ATOM 0 H VAL A 68 2.263 13.766 -3.464 1.00 0.00 H new ATOM 0 HA VAL A 68 0.595 11.368 -3.318 1.00 0.00 H new ATOM 0 HB VAL A 68 1.564 12.117 -1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.112 13.636 0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.981 14.449 -1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.740 14.038 -1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.532 11.267 0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.376 11.527 -1.544 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.068 10.325 -1.436 1.00 0.00 H new ATOM 1060 N GLN A 69 -1.281 12.621 -4.238 1.00 0.00 N ATOM 1061 CA GLN A 69 -2.293 13.246 -5.064 1.00 0.00 C ATOM 1062 C GLN A 69 -3.660 12.737 -4.671 1.00 0.00 C ATOM 1063 O GLN A 69 -3.842 11.523 -4.508 1.00 0.00 O ATOM 1064 CB GLN A 69 -2.020 12.910 -6.522 1.00 0.00 C ATOM 1065 CG GLN A 69 -1.115 13.901 -7.235 1.00 0.00 C ATOM 1066 CD GLN A 69 -1.718 15.290 -7.307 1.00 0.00 C ATOM 1067 OE1 GLN A 69 -2.939 15.454 -7.352 1.00 0.00 O ATOM 1068 NE2 GLN A 69 -0.869 16.300 -7.329 1.00 0.00 N ATOM 0 H GLN A 69 -1.406 11.614 -4.133 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.264 14.327 -4.924 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.568 11.920 -6.576 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.970 12.856 -7.054 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.157 13.951 -6.717 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.914 13.543 -8.245 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.135 16.123 -7.290 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.217 17.257 -7.385 1.00 0.00 H new ATOM 1077 N ALA A 70 -4.635 13.641 -4.635 1.00 0.00 N ATOM 1078 CA ALA A 70 -5.898 13.362 -3.979 1.00 0.00 C ATOM 1079 C ALA A 70 -6.591 12.229 -4.688 1.00 0.00 C ATOM 1080 O ALA A 70 -6.914 12.336 -5.871 1.00 0.00 O ATOM 1081 CB ALA A 70 -6.799 14.590 -3.967 1.00 0.00 C ATOM 0 H ALA A 70 -4.570 14.569 -5.053 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.694 13.084 -2.945 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.738 14.348 -3.468 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.303 15.400 -3.433 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.002 14.902 -4.991 1.00 0.00 H new ATOM 1087 N PRO A 71 -6.889 11.171 -3.917 1.00 0.00 N ATOM 1088 CA PRO A 71 -7.141 9.817 -4.363 1.00 0.00 C ATOM 1089 C PRO A 71 -7.115 9.603 -5.871 1.00 0.00 C ATOM 1090 O PRO A 71 -8.095 9.194 -6.489 1.00 0.00 O ATOM 1091 CB PRO A 71 -8.486 9.618 -3.708 1.00 0.00 C ATOM 1092 CG PRO A 71 -8.231 10.142 -2.330 1.00 0.00 C ATOM 1093 CD PRO A 71 -7.165 11.219 -2.481 1.00 0.00 C ATOM 0 HA PRO A 71 -6.374 9.091 -4.092 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.275 10.171 -4.217 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.786 8.570 -3.699 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -9.142 10.553 -1.894 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.891 9.347 -1.667 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -7.526 12.198 -2.167 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.277 11.001 -1.887 1.00 0.00 H new ATOM 1101 N THR A 72 -5.954 9.892 -6.439 1.00 0.00 N ATOM 1102 CA THR A 72 -5.660 9.607 -7.822 1.00 0.00 C ATOM 1103 C THR A 72 -4.296 8.937 -7.925 1.00 0.00 C ATOM 1104 O THR A 72 -4.143 7.930 -8.618 1.00 0.00 O ATOM 1105 CB THR A 72 -5.686 10.887 -8.675 1.00 0.00 C ATOM 1106 OG1 THR A 72 -5.073 11.966 -7.953 1.00 0.00 O ATOM 1107 CG2 THR A 72 -7.112 11.258 -9.041 1.00 0.00 C ATOM 0 H THR A 72 -5.184 10.337 -5.940 1.00 0.00 H new ATOM 0 HA THR A 72 -6.428 8.936 -8.205 1.00 0.00 H new ATOM 0 HB THR A 72 -5.129 10.703 -9.593 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.667 12.254 -7.229 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.108 12.166 -9.644 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.565 10.446 -9.610 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.688 11.429 -8.132 1.00 0.00 H new ATOM 1115 N GLU A 73 -3.312 9.485 -7.210 1.00 0.00 N ATOM 1116 CA GLU A 73 -1.980 8.891 -7.177 1.00 0.00 C ATOM 1117 C GLU A 73 -1.379 9.047 -5.795 1.00 0.00 C ATOM 1118 O GLU A 73 -1.428 10.114 -5.195 1.00 0.00 O ATOM 1119 CB GLU A 73 -1.050 9.521 -8.218 1.00 0.00 C ATOM 1120 CG GLU A 73 0.296 8.811 -8.310 1.00 0.00 C ATOM 1121 CD GLU A 73 1.217 9.405 -9.352 1.00 0.00 C ATOM 1122 OE1 GLU A 73 0.970 9.191 -10.556 1.00 0.00 O ATOM 1123 OE2 GLU A 73 2.211 10.060 -8.975 1.00 0.00 O ATOM 0 H GLU A 73 -3.413 10.332 -6.651 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.084 7.833 -7.418 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.535 9.499 -9.194 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.887 10.569 -7.967 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.786 8.850 -7.337 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.129 7.759 -8.541 1.00 0.00 H new ATOM 1130 N LEU A 74 -0.836 7.971 -5.292 1.00 0.00 N ATOM 1131 CA LEU A 74 -0.127 7.978 -4.039 1.00 0.00 C ATOM 1132 C LEU A 74 1.198 7.305 -4.275 1.00 0.00 C ATOM 1133 O LEU A 74 1.228 6.208 -4.781 1.00 0.00 O ATOM 1134 CB LEU A 74 -0.982 7.200 -3.035 1.00 0.00 C ATOM 1135 CG LEU A 74 -0.470 7.058 -1.622 1.00 0.00 C ATOM 1136 CD1 LEU A 74 -1.635 6.805 -0.696 1.00 0.00 C ATOM 1137 CD2 LEU A 74 0.517 5.925 -1.514 1.00 0.00 C ATOM 0 H LEU A 74 -0.873 7.057 -5.743 1.00 0.00 H new ATOM 0 HA LEU A 74 0.051 8.981 -3.651 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.960 7.679 -2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.137 6.198 -3.435 1.00 0.00 H new ATOM 0 HG LEU A 74 0.039 7.980 -1.342 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.271 6.702 0.326 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.331 7.642 -0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.145 5.889 -0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.869 5.846 -0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.034 4.992 -1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.364 6.116 -2.174 1.00 0.00 H new ATOM 1149 N SER A 75 2.290 7.947 -3.950 1.00 0.00 N ATOM 1150 CA SER A 75 3.582 7.283 -4.091 1.00 0.00 C ATOM 1151 C SER A 75 4.470 7.577 -2.915 1.00 0.00 C ATOM 1152 O SER A 75 4.733 8.729 -2.612 1.00 0.00 O ATOM 1153 CB SER A 75 4.276 7.732 -5.367 1.00 0.00 C ATOM 1154 OG SER A 75 3.483 7.461 -6.506 1.00 0.00 O ATOM 0 H SER A 75 2.325 8.902 -3.595 1.00 0.00 H new ATOM 0 HA SER A 75 3.398 6.210 -4.136 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.485 8.800 -5.313 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.236 7.223 -5.460 1.00 0.00 H new ATOM 0 HG SER A 75 3.954 7.761 -7.311 1.00 0.00 H new ATOM 1160 N PHE A 76 4.950 6.545 -2.276 1.00 0.00 N ATOM 1161 CA PHE A 76 5.812 6.701 -1.131 1.00 0.00 C ATOM 1162 C PHE A 76 6.732 5.506 -1.005 1.00 0.00 C ATOM 1163 O PHE A 76 6.433 4.444 -1.534 1.00 0.00 O ATOM 1164 CB PHE A 76 4.972 6.997 0.104 1.00 0.00 C ATOM 1165 CG PHE A 76 4.347 5.816 0.781 1.00 0.00 C ATOM 1166 CD1 PHE A 76 3.144 5.286 0.336 1.00 0.00 C ATOM 1167 CD2 PHE A 76 4.963 5.246 1.878 1.00 0.00 C ATOM 1168 CE1 PHE A 76 2.575 4.203 0.980 1.00 0.00 C ATOM 1169 CE2 PHE A 76 4.403 4.166 2.524 1.00 0.00 C ATOM 1170 CZ PHE A 76 3.208 3.640 2.075 1.00 0.00 C ATOM 0 H PHE A 76 4.757 5.576 -2.531 1.00 0.00 H new ATOM 0 HA PHE A 76 6.473 7.559 -1.253 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.600 7.514 0.829 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.178 7.688 -0.180 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.649 5.722 -0.519 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.898 5.653 2.235 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.638 3.797 0.629 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.898 3.731 3.380 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.768 2.791 2.577 1.00 0.00 H new ATOM 1180 N GLU A 77 7.845 5.679 -0.330 1.00 0.00 N ATOM 1181 CA GLU A 77 8.800 4.593 -0.184 1.00 0.00 C ATOM 1182 C GLU A 77 8.957 4.255 1.278 1.00 0.00 C ATOM 1183 O GLU A 77 9.120 5.136 2.125 1.00 0.00 O ATOM 1184 CB GLU A 77 10.171 4.978 -0.724 1.00 0.00 C ATOM 1185 CG GLU A 77 10.264 5.085 -2.227 1.00 0.00 C ATOM 1186 CD GLU A 77 11.676 5.395 -2.677 1.00 0.00 C ATOM 1187 OE1 GLU A 77 12.459 4.448 -2.882 1.00 0.00 O ATOM 1188 OE2 GLU A 77 12.023 6.589 -2.797 1.00 0.00 O ATOM 0 H GLU A 77 8.114 6.551 0.125 1.00 0.00 H new ATOM 0 HA GLU A 77 8.419 3.742 -0.748 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.459 5.935 -0.289 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.898 4.241 -0.383 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.934 4.150 -2.680 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.590 5.865 -2.579 1.00 0.00 H new ATOM 1307 N VAL A 85 5.915 2.439 -3.266 1.00 0.00 N ATOM 1308 CA VAL A 85 4.610 1.852 -3.267 1.00 0.00 C ATOM 1309 C VAL A 85 3.574 2.913 -3.618 1.00 0.00 C ATOM 1310 O VAL A 85 3.441 3.932 -2.940 1.00 0.00 O ATOM 1311 CB VAL A 85 4.336 1.164 -1.913 1.00 0.00 C ATOM 1312 CG1 VAL A 85 5.190 -0.082 -1.805 1.00 0.00 C ATOM 1313 CG2 VAL A 85 4.657 2.079 -0.745 1.00 0.00 C ATOM 0 HA VAL A 85 4.546 1.075 -4.029 1.00 0.00 H new ATOM 0 HB VAL A 85 3.276 0.913 -1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.000 -0.572 -0.850 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.943 -0.764 -2.618 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.243 0.192 -1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.451 1.560 0.191 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.710 2.359 -0.781 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.041 2.976 -0.805 1.00 0.00 H new ATOM 1323 N THR A 86 2.874 2.675 -4.713 1.00 0.00 N ATOM 1324 CA THR A 86 2.035 3.682 -5.333 1.00 0.00 C ATOM 1325 C THR A 86 0.572 3.231 -5.417 1.00 0.00 C ATOM 1326 O THR A 86 0.270 2.115 -5.801 1.00 0.00 O ATOM 1327 CB THR A 86 2.575 4.013 -6.747 1.00 0.00 C ATOM 1328 OG1 THR A 86 3.922 4.494 -6.639 1.00 0.00 O ATOM 1329 CG2 THR A 86 1.714 5.066 -7.454 1.00 0.00 C ATOM 0 H THR A 86 2.872 1.777 -5.197 1.00 0.00 H new ATOM 0 HA THR A 86 2.066 4.576 -4.710 1.00 0.00 H new ATOM 0 HB THR A 86 2.542 3.100 -7.342 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.920 5.474 -6.636 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.127 5.270 -8.442 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.695 4.694 -7.556 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.708 5.985 -6.867 1.00 0.00 H new ATOM 1337 N PHE A 87 -0.341 4.098 -5.034 1.00 0.00 N ATOM 1338 CA PHE A 87 -1.757 3.776 -5.109 1.00 0.00 C ATOM 1339 C PHE A 87 -2.429 4.651 -6.148 1.00 0.00 C ATOM 1340 O PHE A 87 -2.207 5.857 -6.180 1.00 0.00 O ATOM 1341 CB PHE A 87 -2.425 3.951 -3.735 1.00 0.00 C ATOM 1342 CG PHE A 87 -1.829 3.049 -2.679 1.00 0.00 C ATOM 1343 CD1 PHE A 87 -1.280 1.822 -3.026 1.00 0.00 C ATOM 1344 CD2 PHE A 87 -1.766 3.447 -1.355 1.00 0.00 C ATOM 1345 CE1 PHE A 87 -0.692 1.009 -2.076 1.00 0.00 C ATOM 1346 CE2 PHE A 87 -1.170 2.643 -0.403 1.00 0.00 C ATOM 1347 CZ PHE A 87 -0.632 1.418 -0.770 1.00 0.00 C ATOM 0 H PHE A 87 -0.134 5.028 -4.669 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.867 2.733 -5.406 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.328 4.989 -3.418 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.491 3.744 -3.825 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.313 1.498 -4.056 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.188 4.397 -1.063 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.280 0.053 -2.363 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.123 2.968 0.626 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.166 0.788 -0.027 1.00 0.00 H new ATOM 1357 N GLN A 88 -3.227 4.046 -7.009 1.00 0.00 N ATOM 1358 CA GLN A 88 -3.969 4.808 -7.995 1.00 0.00 C ATOM 1359 C GLN A 88 -5.456 4.552 -7.852 1.00 0.00 C ATOM 1360 O GLN A 88 -5.917 3.417 -7.843 1.00 0.00 O ATOM 1361 CB GLN A 88 -3.491 4.475 -9.406 1.00 0.00 C ATOM 1362 CG GLN A 88 -2.389 5.394 -9.878 1.00 0.00 C ATOM 1363 CD GLN A 88 -2.100 5.251 -11.358 1.00 0.00 C ATOM 1364 OE1 GLN A 88 -2.706 5.927 -12.190 1.00 0.00 O ATOM 1365 NE2 GLN A 88 -1.171 4.373 -11.700 1.00 0.00 N ATOM 0 H GLN A 88 -3.377 3.038 -7.045 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.787 5.868 -7.821 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.136 3.445 -9.432 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.333 4.539 -10.095 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.666 6.426 -9.665 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.481 5.185 -9.313 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.691 3.832 -10.981 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.935 4.237 -12.683 1.00 0.00 H new ATOM 1374 N LEU A 89 -6.188 5.626 -7.712 1.00 0.00 N ATOM 1375 CA LEU A 89 -7.609 5.553 -7.421 1.00 0.00 C ATOM 1376 C LEU A 89 -8.462 6.320 -8.441 1.00 0.00 C ATOM 1377 O LEU A 89 -8.039 7.354 -8.961 1.00 0.00 O ATOM 1378 CB LEU A 89 -7.875 5.975 -5.979 1.00 0.00 C ATOM 1379 CG LEU A 89 -9.347 6.051 -5.589 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -9.996 4.680 -5.688 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -9.486 6.600 -4.188 1.00 0.00 C ATOM 0 H LEU A 89 -5.825 6.576 -7.795 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.921 4.514 -7.522 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.374 5.272 -5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.420 6.951 -5.813 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.856 6.722 -6.280 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.046 4.753 -5.406 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.920 4.315 -6.712 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.488 3.988 -5.017 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.541 6.650 -3.920 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.964 5.947 -3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -9.053 7.599 -4.144 1.00 0.00 H new ATOM 1393 N GLU A 90 -9.646 5.791 -8.740 1.00 0.00 N ATOM 1394 CA GLU A 90 -10.559 6.398 -9.702 1.00 0.00 C ATOM 1395 C GLU A 90 -11.787 6.959 -8.991 1.00 0.00 C ATOM 1396 O GLU A 90 -12.486 6.230 -8.283 1.00 0.00 O ATOM 1397 CB GLU A 90 -10.989 5.328 -10.726 1.00 0.00 C ATOM 1398 CG GLU A 90 -12.474 5.356 -11.105 1.00 0.00 C ATOM 1399 CD GLU A 90 -12.854 4.270 -12.090 1.00 0.00 C ATOM 1400 OE1 GLU A 90 -12.516 4.408 -13.280 1.00 0.00 O ATOM 1401 OE2 GLU A 90 -13.507 3.281 -11.683 1.00 0.00 O ATOM 0 H GLU A 90 -9.998 4.930 -8.322 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.053 7.218 -10.212 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -10.396 5.454 -11.632 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -10.751 4.344 -10.323 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -13.076 5.247 -10.203 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.716 6.329 -11.534 1.00 0.00 H new ATOM 1408 N ASP A 91 -12.038 8.258 -9.184 1.00 0.00 N ATOM 1409 CA ASP A 91 -13.227 8.901 -8.625 1.00 0.00 C ATOM 1410 C ASP A 91 -14.347 8.924 -9.630 1.00 0.00 C ATOM 1411 O ASP A 91 -14.277 9.614 -10.650 1.00 0.00 O ATOM 1412 CB ASP A 91 -12.970 10.338 -8.172 1.00 0.00 C ATOM 1413 CG ASP A 91 -14.265 11.080 -7.878 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -15.056 10.603 -7.042 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -14.500 12.148 -8.486 1.00 0.00 O ATOM 0 H ASP A 91 -11.435 8.881 -9.721 1.00 0.00 H new ATOM 0 HA ASP A 91 -13.501 8.305 -7.754 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -12.345 10.331 -7.279 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.415 10.869 -8.946 1.00 0.00 H new ATOM 1461 N LYS A 95 -18.525 4.112 -8.432 1.00 0.00 N ATOM 1462 CA LYS A 95 -17.818 3.621 -7.300 1.00 0.00 C ATOM 1463 C LYS A 95 -16.348 3.812 -7.632 1.00 0.00 C ATOM 1464 O LYS A 95 -16.038 4.416 -8.661 1.00 0.00 O ATOM 1465 CB LYS A 95 -18.156 2.136 -7.147 1.00 0.00 C ATOM 1466 CG LYS A 95 -17.381 1.179 -8.074 1.00 0.00 C ATOM 1467 CD LYS A 95 -17.384 1.553 -9.559 1.00 0.00 C ATOM 1468 CE LYS A 95 -15.974 1.914 -10.040 1.00 0.00 C ATOM 1469 NZ LYS A 95 -15.846 1.913 -11.523 1.00 0.00 N ATOM 0 HA LYS A 95 -18.072 4.129 -6.370 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -17.969 1.844 -6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -19.223 2.004 -7.328 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -16.347 1.128 -7.732 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -17.801 0.179 -7.968 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -17.770 0.720 -10.146 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -18.055 2.396 -9.723 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -15.708 2.900 -9.659 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -15.260 1.206 -9.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -14.903 2.262 -11.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -15.972 0.945 -11.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -16.573 2.532 -11.935 1.00 0.00 H new ATOM 1483 N THR A 96 -15.436 3.378 -6.807 1.00 0.00 N ATOM 1484 CA THR A 96 -14.092 3.844 -6.941 1.00 0.00 C ATOM 1485 C THR A 96 -13.249 2.745 -7.519 1.00 0.00 C ATOM 1486 O THR A 96 -13.209 1.631 -7.015 1.00 0.00 O ATOM 1487 CB THR A 96 -13.550 4.229 -5.559 1.00 0.00 C ATOM 1488 OG1 THR A 96 -14.436 3.738 -4.558 1.00 0.00 O ATOM 1489 CG2 THR A 96 -13.401 5.733 -5.399 1.00 0.00 C ATOM 0 H THR A 96 -15.598 2.715 -6.049 1.00 0.00 H new ATOM 0 HA THR A 96 -14.064 4.713 -7.598 1.00 0.00 H new ATOM 0 HB THR A 96 -12.560 3.785 -5.454 1.00 0.00 H new ATOM 0 HG1 THR A 96 -14.515 4.399 -3.839 1.00 0.00 H new ATOM 0 HG21 THR A 96 -13.014 5.957 -4.405 1.00 0.00 H new ATOM 0 HG22 THR A 96 -12.709 6.112 -6.151 1.00 0.00 H new ATOM 0 HG23 THR A 96 -14.373 6.210 -5.526 1.00 0.00 H new ATOM 1497 N GLY A 97 -12.572 3.056 -8.591 1.00 0.00 N ATOM 1498 CA GLY A 97 -11.818 2.032 -9.265 1.00 0.00 C ATOM 1499 C GLY A 97 -10.396 2.051 -8.818 1.00 0.00 C ATOM 1500 O GLY A 97 -9.692 3.041 -9.001 1.00 0.00 O ATOM 0 H GLY A 97 -12.526 3.985 -9.009 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.257 1.055 -9.061 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -11.869 2.185 -10.343 1.00 0.00 H new ATOM 1504 N PHE A 98 -9.962 0.971 -8.211 1.00 0.00 N ATOM 1505 CA PHE A 98 -8.670 0.985 -7.586 1.00 0.00 C ATOM 1506 C PHE A 98 -7.637 0.248 -8.413 1.00 0.00 C ATOM 1507 O PHE A 98 -7.816 -0.908 -8.801 1.00 0.00 O ATOM 1508 CB PHE A 98 -8.689 0.410 -6.176 1.00 0.00 C ATOM 1509 CG PHE A 98 -7.512 0.911 -5.397 1.00 0.00 C ATOM 1510 CD1 PHE A 98 -7.477 2.231 -4.974 1.00 0.00 C ATOM 1511 CD2 PHE A 98 -6.429 0.097 -5.124 1.00 0.00 C ATOM 1512 CE1 PHE A 98 -6.393 2.727 -4.288 1.00 0.00 C ATOM 1513 CE2 PHE A 98 -5.337 0.591 -4.436 1.00 0.00 C ATOM 1514 CZ PHE A 98 -5.319 1.906 -4.019 1.00 0.00 C ATOM 0 H PHE A 98 -10.475 0.092 -8.139 1.00 0.00 H new ATOM 0 HA PHE A 98 -8.392 2.037 -7.519 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -9.614 0.692 -5.673 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -8.669 -0.679 -6.219 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -8.314 2.880 -5.186 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.436 -0.932 -5.451 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -6.383 3.756 -3.961 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -4.496 -0.053 -4.224 1.00 0.00 H new ATOM 0 HZ PHE A 98 -4.465 2.292 -3.483 1.00 0.00 H new ATOM 1524 N THR A 99 -6.559 0.941 -8.676 1.00 0.00 N ATOM 1525 CA THR A 99 -5.420 0.368 -9.344 1.00 0.00 C ATOM 1526 C THR A 99 -4.218 0.536 -8.446 1.00 0.00 C ATOM 1527 O THR A 99 -3.795 1.650 -8.167 1.00 0.00 O ATOM 1528 CB THR A 99 -5.168 1.058 -10.698 1.00 0.00 C ATOM 1529 OG1 THR A 99 -6.394 1.126 -11.438 1.00 0.00 O ATOM 1530 CG2 THR A 99 -4.122 0.300 -11.501 1.00 0.00 C ATOM 0 H THR A 99 -6.447 1.925 -8.431 1.00 0.00 H new ATOM 0 HA THR A 99 -5.606 -0.688 -9.542 1.00 0.00 H new ATOM 0 HB THR A 99 -4.797 2.066 -10.513 1.00 0.00 H new ATOM 0 HG1 THR A 99 -6.233 1.567 -12.298 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.959 0.804 -12.454 1.00 0.00 H new ATOM 0 HG22 THR A 99 -3.187 0.269 -10.942 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.470 -0.717 -11.683 1.00 0.00 H new ATOM 1538 N LEU A 100 -3.662 -0.549 -7.983 1.00 0.00 N ATOM 1539 CA LEU A 100 -2.601 -0.440 -7.025 1.00 0.00 C ATOM 1540 C LEU A 100 -1.273 -0.786 -7.645 1.00 0.00 C ATOM 1541 O LEU A 100 -1.156 -1.740 -8.404 1.00 0.00 O ATOM 1542 CB LEU A 100 -2.881 -1.311 -5.808 1.00 0.00 C ATOM 1543 CG LEU A 100 -2.064 -0.943 -4.580 1.00 0.00 C ATOM 1544 CD1 LEU A 100 -2.775 -1.379 -3.320 1.00 0.00 C ATOM 1545 CD2 LEU A 100 -0.680 -1.552 -4.645 1.00 0.00 C ATOM 0 H LEU A 100 -3.920 -1.500 -8.247 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.551 0.597 -6.693 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.940 -1.241 -5.561 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.682 -2.351 -6.065 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.955 0.141 -4.560 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.175 -1.107 -2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.745 -0.885 -3.260 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.918 -2.459 -3.338 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.117 -1.273 -3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.762 -2.638 -4.697 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.162 -1.185 -5.531 1.00 0.00 H new ATOM 1557 N ILE A 101 -0.281 0.010 -7.312 1.00 0.00 N ATOM 1558 CA ILE A 101 1.057 -0.193 -7.799 1.00 0.00 C ATOM 1559 C ILE A 101 2.007 -0.409 -6.622 1.00 0.00 C ATOM 1560 O ILE A 101 2.058 0.379 -5.694 1.00 0.00 O ATOM 1561 CB ILE A 101 1.571 1.034 -8.591 1.00 0.00 C ATOM 1562 CG1 ILE A 101 0.480 1.652 -9.498 1.00 0.00 C ATOM 1563 CG2 ILE A 101 2.800 0.654 -9.413 1.00 0.00 C ATOM 1564 CD1 ILE A 101 -0.433 2.630 -8.792 1.00 0.00 C ATOM 0 H ILE A 101 -0.384 0.816 -6.695 1.00 0.00 H new ATOM 0 HA ILE A 101 1.031 -1.063 -8.455 1.00 0.00 H new ATOM 0 HB ILE A 101 1.847 1.797 -7.863 1.00 0.00 H new ATOM 0 HG12 ILE A 101 0.963 2.160 -10.333 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -0.124 0.849 -9.920 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.152 1.525 -9.965 1.00 0.00 H new ATOM 0 HG22 ILE A 101 3.589 0.303 -8.747 1.00 0.00 H new ATOM 0 HG23 ILE A 101 2.538 -0.138 -10.114 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.168 3.016 -9.498 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -0.946 2.124 -7.975 1.00 0.00 H new ATOM 0 HD13 ILE A 101 0.157 3.456 -8.394 1.00 0.00 H new ATOM 1576 N HIS A 102 2.744 -1.477 -6.629 1.00 0.00 N ATOM 1577 CA HIS A 102 3.860 -1.600 -5.719 1.00 0.00 C ATOM 1578 C HIS A 102 5.103 -1.747 -6.549 1.00 0.00 C ATOM 1579 O HIS A 102 5.277 -2.729 -7.260 1.00 0.00 O ATOM 1580 CB HIS A 102 3.680 -2.780 -4.760 1.00 0.00 C ATOM 1581 CG HIS A 102 3.104 -2.385 -3.432 1.00 0.00 C ATOM 1582 ND1 HIS A 102 3.418 -3.045 -2.261 1.00 0.00 N ATOM 1583 CD2 HIS A 102 2.252 -1.380 -3.074 1.00 0.00 C ATOM 1584 CE1 HIS A 102 2.795 -2.472 -1.252 1.00 0.00 C ATOM 1585 NE2 HIS A 102 2.082 -1.461 -1.716 1.00 0.00 N ATOM 0 H HIS A 102 2.601 -2.276 -7.247 1.00 0.00 H new ATOM 0 HA HIS A 102 3.930 -0.713 -5.089 1.00 0.00 H new ATOM 0 HB2 HIS A 102 3.029 -3.520 -5.225 1.00 0.00 H new ATOM 0 HB3 HIS A 102 4.646 -3.260 -4.601 1.00 0.00 H new ATOM 0 HD1 HIS A 102 4.037 -3.852 -2.188 1.00 0.00 H new ATOM 0 HD2 HIS A 102 1.798 -0.657 -3.736 1.00 0.00 H new ATOM 0 HE1 HIS A 102 2.857 -2.777 -0.218 1.00 0.00 H new ATOM 1881 N VAL A 122 8.274 -10.589 -2.500 1.00 0.00 N ATOM 1882 CA VAL A 122 7.353 -9.455 -2.475 1.00 0.00 C ATOM 1883 C VAL A 122 6.352 -9.501 -3.609 1.00 0.00 C ATOM 1884 O VAL A 122 5.175 -9.196 -3.415 1.00 0.00 O ATOM 1885 CB VAL A 122 8.069 -8.117 -2.525 1.00 0.00 C ATOM 1886 CG1 VAL A 122 8.874 -8.008 -3.769 1.00 0.00 C ATOM 1887 CG2 VAL A 122 7.082 -6.974 -2.423 1.00 0.00 C ATOM 0 HA VAL A 122 6.829 -9.544 -1.523 1.00 0.00 H new ATOM 0 HB VAL A 122 8.743 -8.056 -1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 122 9.381 -7.044 -3.791 1.00 0.00 H new ATOM 0 HG12 VAL A 122 9.614 -8.808 -3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 122 8.218 -8.092 -4.635 1.00 0.00 H new ATOM 0 HG21 VAL A 122 7.618 -6.026 -2.461 1.00 0.00 H new ATOM 0 HG22 VAL A 122 6.378 -7.026 -3.253 1.00 0.00 H new ATOM 0 HG23 VAL A 122 6.538 -7.046 -1.481 1.00 0.00 H new ATOM 1897 N ARG A 123 6.806 -9.883 -4.791 1.00 0.00 N ATOM 1898 CA ARG A 123 5.911 -9.964 -5.921 1.00 0.00 C ATOM 1899 C ARG A 123 4.857 -11.020 -5.625 1.00 0.00 C ATOM 1900 O ARG A 123 3.697 -10.886 -6.009 1.00 0.00 O ATOM 1901 CB ARG A 123 6.680 -10.271 -7.211 1.00 0.00 C ATOM 1902 CG ARG A 123 5.905 -9.891 -8.459 1.00 0.00 C ATOM 1903 CD ARG A 123 6.667 -10.233 -9.725 1.00 0.00 C ATOM 1904 NE ARG A 123 6.554 -11.646 -10.071 1.00 0.00 N ATOM 1905 CZ ARG A 123 5.965 -12.089 -11.183 1.00 0.00 C ATOM 1906 NH1 ARG A 123 5.444 -11.229 -12.056 1.00 0.00 N ATOM 1907 NH2 ARG A 123 5.893 -13.389 -11.424 1.00 0.00 N ATOM 0 H ARG A 123 7.774 -10.137 -4.987 1.00 0.00 H new ATOM 0 HA ARG A 123 5.420 -9.003 -6.076 1.00 0.00 H new ATOM 0 HB2 ARG A 123 7.629 -9.735 -7.200 1.00 0.00 H new ATOM 0 HB3 ARG A 123 6.916 -11.335 -7.244 1.00 0.00 H new ATOM 0 HG2 ARG A 123 4.946 -10.408 -8.462 1.00 0.00 H new ATOM 0 HG3 ARG A 123 5.691 -8.822 -8.442 1.00 0.00 H new ATOM 0 HD2 ARG A 123 6.290 -9.628 -10.549 1.00 0.00 H new ATOM 0 HD3 ARG A 123 7.718 -9.975 -9.595 1.00 0.00 H new ATOM 0 HE ARG A 123 6.947 -12.333 -9.427 1.00 0.00 H new ATOM 0 HH11 ARG A 123 5.494 -10.226 -11.876 1.00 0.00 H new ATOM 0 HH12 ARG A 123 4.995 -11.573 -12.905 1.00 0.00 H new ATOM 0 HH21 ARG A 123 6.288 -14.054 -10.759 1.00 0.00 H new ATOM 0 HH22 ARG A 123 5.442 -13.726 -12.275 1.00 0.00 H new ATOM 1921 N GLY A 124 5.265 -12.023 -4.856 1.00 0.00 N ATOM 1922 CA GLY A 124 4.342 -13.048 -4.405 1.00 0.00 C ATOM 1923 C GLY A 124 3.414 -12.539 -3.315 1.00 0.00 C ATOM 1924 O GLY A 124 2.234 -12.913 -3.262 1.00 0.00 O ATOM 0 H GLY A 124 6.225 -12.145 -4.535 1.00 0.00 H new ATOM 0 HA2 GLY A 124 3.750 -13.400 -5.250 1.00 0.00 H new ATOM 0 HA3 GLY A 124 4.905 -13.904 -4.032 1.00 0.00 H new ATOM 1928 N LYS A 125 3.932 -11.648 -2.465 1.00 0.00 N ATOM 1929 CA LYS A 125 3.162 -11.078 -1.368 1.00 0.00 C ATOM 1930 C LYS A 125 1.977 -10.341 -1.909 1.00 0.00 C ATOM 1931 O LYS A 125 0.870 -10.421 -1.390 1.00 0.00 O ATOM 1932 CB LYS A 125 3.997 -10.075 -0.606 1.00 0.00 C ATOM 1933 CG LYS A 125 5.335 -10.620 -0.200 1.00 0.00 C ATOM 1934 CD LYS A 125 5.221 -11.881 0.646 1.00 0.00 C ATOM 1935 CE LYS A 125 4.557 -11.607 1.983 1.00 0.00 C ATOM 1936 NZ LYS A 125 4.529 -12.817 2.843 1.00 0.00 N ATOM 0 H LYS A 125 4.891 -11.306 -2.521 1.00 0.00 H new ATOM 0 HA LYS A 125 2.853 -11.895 -0.716 1.00 0.00 H new ATOM 0 HB2 LYS A 125 4.143 -9.188 -1.222 1.00 0.00 H new ATOM 0 HB3 LYS A 125 3.454 -9.759 0.284 1.00 0.00 H new ATOM 0 HG2 LYS A 125 5.921 -10.838 -1.093 1.00 0.00 H new ATOM 0 HG3 LYS A 125 5.879 -9.859 0.360 1.00 0.00 H new ATOM 0 HD2 LYS A 125 4.647 -12.632 0.103 1.00 0.00 H new ATOM 0 HD3 LYS A 125 6.214 -12.298 0.813 1.00 0.00 H new ATOM 0 HE2 LYS A 125 5.091 -10.808 2.497 1.00 0.00 H new ATOM 0 HE3 LYS A 125 3.539 -11.255 1.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 4.068 -12.590 3.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 3.998 -13.572 2.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 5.502 -13.138 3.022 1.00 0.00 H new ATOM 1950 N MET A 126 2.231 -9.616 -2.964 1.00 0.00 N ATOM 1951 CA MET A 126 1.217 -8.810 -3.573 1.00 0.00 C ATOM 1952 C MET A 126 0.370 -9.684 -4.472 1.00 0.00 C ATOM 1953 O MET A 126 -0.820 -9.433 -4.663 1.00 0.00 O ATOM 1954 CB MET A 126 1.860 -7.679 -4.367 1.00 0.00 C ATOM 1955 CG MET A 126 2.997 -6.956 -3.633 1.00 0.00 C ATOM 1956 SD MET A 126 2.451 -5.852 -2.303 1.00 0.00 S ATOM 1957 CE MET A 126 1.933 -6.994 -1.024 1.00 0.00 C ATOM 0 H MET A 126 3.142 -9.569 -3.421 1.00 0.00 H new ATOM 0 HA MET A 126 0.582 -8.366 -2.806 1.00 0.00 H new ATOM 0 HB2 MET A 126 2.247 -8.083 -5.303 1.00 0.00 H new ATOM 0 HB3 MET A 126 1.091 -6.951 -4.627 1.00 0.00 H new ATOM 0 HG2 MET A 126 3.674 -7.701 -3.215 1.00 0.00 H new ATOM 0 HG3 MET A 126 3.569 -6.376 -4.357 1.00 0.00 H new ATOM 0 HE1 MET A 126 2.087 -6.539 -0.046 1.00 0.00 H new ATOM 0 HE2 MET A 126 0.876 -7.229 -1.152 1.00 0.00 H new ATOM 0 HE3 MET A 126 2.520 -7.910 -1.095 1.00 0.00 H new ATOM 1967 N ASP A 127 0.961 -10.783 -4.927 1.00 0.00 N ATOM 1968 CA ASP A 127 0.317 -11.629 -5.929 1.00 0.00 C ATOM 1969 C ASP A 127 -0.780 -12.481 -5.294 1.00 0.00 C ATOM 1970 O ASP A 127 -1.664 -12.990 -5.981 1.00 0.00 O ATOM 1971 CB ASP A 127 1.378 -12.510 -6.607 1.00 0.00 C ATOM 1972 CG ASP A 127 0.799 -13.575 -7.521 1.00 0.00 C ATOM 1973 OD1 ASP A 127 0.241 -13.222 -8.583 1.00 0.00 O ATOM 1974 OD2 ASP A 127 0.909 -14.774 -7.187 1.00 0.00 O ATOM 0 H ASP A 127 1.878 -11.109 -4.622 1.00 0.00 H new ATOM 0 HA ASP A 127 -0.154 -10.999 -6.683 1.00 0.00 H new ATOM 0 HB2 ASP A 127 2.049 -11.874 -7.185 1.00 0.00 H new ATOM 0 HB3 ASP A 127 1.981 -12.993 -5.838 1.00 0.00 H new ATOM 1979 N GLY A 128 -0.767 -12.561 -3.978 1.00 0.00 N ATOM 1980 CA GLY A 128 -1.885 -13.158 -3.269 1.00 0.00 C ATOM 1981 C GLY A 128 -2.392 -12.262 -2.156 1.00 0.00 C ATOM 1982 O GLY A 128 -3.590 -11.924 -2.081 1.00 0.00 O ATOM 0 H GLY A 128 -0.008 -12.226 -3.384 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -2.695 -13.359 -3.971 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -1.580 -14.118 -2.852 1.00 0.00 H new ATOM 1986 N GLY A 129 -1.462 -11.841 -1.317 1.00 0.00 N ATOM 1987 CA GLY A 129 -1.799 -11.063 -0.153 1.00 0.00 C ATOM 1988 C GLY A 129 -2.425 -9.732 -0.490 1.00 0.00 C ATOM 1989 O GLY A 129 -3.279 -9.259 0.260 1.00 0.00 O ATOM 0 H GLY A 129 -0.466 -12.029 -1.427 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -2.487 -11.633 0.471 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -0.898 -10.895 0.437 1.00 0.00 H new ATOM 1993 N TRP A 130 -2.041 -9.120 -1.622 1.00 0.00 N ATOM 1994 CA TRP A 130 -2.549 -7.796 -1.932 1.00 0.00 C ATOM 1995 C TRP A 130 -4.046 -7.831 -2.101 1.00 0.00 C ATOM 1996 O TRP A 130 -4.751 -7.130 -1.403 1.00 0.00 O ATOM 1997 CB TRP A 130 -1.930 -7.199 -3.184 1.00 0.00 C ATOM 1998 CG TRP A 130 -1.294 -5.860 -2.972 1.00 0.00 C ATOM 1999 CD1 TRP A 130 -0.453 -5.233 -3.834 1.00 0.00 C ATOM 2000 CD2 TRP A 130 -1.453 -4.973 -1.850 1.00 0.00 C ATOM 2001 NE1 TRP A 130 -0.059 -4.033 -3.318 1.00 0.00 N ATOM 2002 CE2 TRP A 130 -0.665 -3.841 -2.106 1.00 0.00 C ATOM 2003 CE3 TRP A 130 -2.176 -5.024 -0.657 1.00 0.00 C ATOM 2004 CZ2 TRP A 130 -0.585 -2.768 -1.220 1.00 0.00 C ATOM 2005 CZ3 TRP A 130 -2.096 -3.961 0.220 1.00 0.00 C ATOM 2006 CH2 TRP A 130 -1.306 -2.846 -0.065 1.00 0.00 C ATOM 0 H TRP A 130 -1.401 -9.514 -2.311 1.00 0.00 H new ATOM 0 HA TRP A 130 -2.274 -7.163 -1.088 1.00 0.00 H new ATOM 0 HB2 TRP A 130 -1.179 -7.889 -3.570 1.00 0.00 H new ATOM 0 HB3 TRP A 130 -2.701 -7.106 -3.949 1.00 0.00 H new ATOM 0 HD1 TRP A 130 -0.141 -5.627 -4.790 1.00 0.00 H new ATOM 0 HE1 TRP A 130 0.586 -3.381 -3.765 1.00 0.00 H new ATOM 0 HE3 TRP A 130 -2.789 -5.882 -0.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 0.026 -1.905 -1.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 -2.655 -3.993 1.144 1.00 0.00 H new ATOM 0 HH2 TRP A 130 -1.265 -2.030 0.642 1.00 0.00 H new ATOM 2017 N THR A 131 -4.546 -8.672 -2.992 1.00 0.00 N ATOM 2018 CA THR A 131 -5.971 -8.663 -3.268 1.00 0.00 C ATOM 2019 C THR A 131 -6.777 -9.028 -2.039 1.00 0.00 C ATOM 2020 O THR A 131 -7.907 -8.589 -1.892 1.00 0.00 O ATOM 2021 CB THR A 131 -6.371 -9.595 -4.409 1.00 0.00 C ATOM 2022 OG1 THR A 131 -5.556 -10.776 -4.386 1.00 0.00 O ATOM 2023 CG2 THR A 131 -6.243 -8.893 -5.750 1.00 0.00 C ATOM 0 H THR A 131 -4.002 -9.352 -3.523 1.00 0.00 H new ATOM 0 HA THR A 131 -6.195 -7.640 -3.571 1.00 0.00 H new ATOM 0 HB THR A 131 -7.414 -9.880 -4.273 1.00 0.00 H new ATOM 0 HG1 THR A 131 -5.820 -11.370 -5.120 1.00 0.00 H new ATOM 0 HG21 THR A 131 -6.533 -9.577 -6.548 1.00 0.00 H new ATOM 0 HG22 THR A 131 -6.894 -8.019 -5.767 1.00 0.00 H new ATOM 0 HG23 THR A 131 -5.210 -8.579 -5.899 1.00 0.00 H new ATOM 2031 N GLY A 132 -6.213 -9.822 -1.158 1.00 0.00 N ATOM 2032 CA GLY A 132 -6.854 -10.012 0.114 1.00 0.00 C ATOM 2033 C GLY A 132 -7.122 -8.686 0.795 1.00 0.00 C ATOM 2034 O GLY A 132 -8.276 -8.282 0.960 1.00 0.00 O ATOM 0 H GLY A 132 -5.339 -10.331 -1.295 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -7.792 -10.549 -0.025 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -6.224 -10.631 0.753 1.00 0.00 H new ATOM 2038 N ILE A 133 -6.068 -7.965 1.123 1.00 0.00 N ATOM 2039 CA ILE A 133 -6.228 -6.724 1.854 1.00 0.00 C ATOM 2040 C ILE A 133 -6.705 -5.565 0.972 1.00 0.00 C ATOM 2041 O ILE A 133 -7.664 -4.908 1.316 1.00 0.00 O ATOM 2042 CB ILE A 133 -4.950 -6.334 2.618 1.00 0.00 C ATOM 2043 CG1 ILE A 133 -3.693 -6.718 1.829 1.00 0.00 C ATOM 2044 CG2 ILE A 133 -4.948 -6.985 3.994 1.00 0.00 C ATOM 2045 CD1 ILE A 133 -2.398 -6.518 2.594 1.00 0.00 C ATOM 0 H ILE A 133 -5.104 -8.212 0.899 1.00 0.00 H new ATOM 0 HA ILE A 133 -7.015 -6.916 2.584 1.00 0.00 H new ATOM 0 HB ILE A 133 -4.940 -5.251 2.743 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -3.769 -7.764 1.531 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -3.657 -6.128 0.913 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -4.040 -6.704 4.528 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -5.819 -6.649 4.557 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -4.983 -8.069 3.884 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -1.556 -6.812 1.967 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -2.296 -5.468 2.869 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -2.410 -7.130 3.496 1.00 0.00 H new ATOM 2057 N VAL A 134 -6.087 -5.315 -0.169 1.00 0.00 N ATOM 2058 CA VAL A 134 -6.535 -4.212 -1.006 1.00 0.00 C ATOM 2059 C VAL A 134 -7.770 -4.569 -1.828 1.00 0.00 C ATOM 2060 O VAL A 134 -8.722 -3.810 -1.878 1.00 0.00 O ATOM 2061 CB VAL A 134 -5.431 -3.684 -1.937 1.00 0.00 C ATOM 2062 CG1 VAL A 134 -5.048 -4.674 -2.968 1.00 0.00 C ATOM 2063 CG2 VAL A 134 -5.864 -2.409 -2.608 1.00 0.00 C ATOM 0 H VAL A 134 -5.294 -5.844 -0.532 1.00 0.00 H new ATOM 0 HA VAL A 134 -6.800 -3.417 -0.309 1.00 0.00 H new ATOM 0 HB VAL A 134 -4.560 -3.492 -1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 134 -4.266 -4.256 -3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 134 -4.679 -5.578 -2.485 1.00 0.00 H new ATOM 0 HG13 VAL A 134 -5.917 -4.918 -3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 134 -5.068 -2.053 -3.262 1.00 0.00 H new ATOM 0 HG22 VAL A 134 -6.762 -2.595 -3.198 1.00 0.00 H new ATOM 0 HG23 VAL A 134 -6.077 -1.654 -1.851 1.00 0.00 H new ATOM 2073 N ASN A 135 -7.815 -5.742 -2.420 1.00 0.00 N ATOM 2074 CA ASN A 135 -8.937 -6.020 -3.308 1.00 0.00 C ATOM 2075 C ASN A 135 -10.164 -6.282 -2.479 1.00 0.00 C ATOM 2076 O ASN A 135 -11.243 -5.766 -2.764 1.00 0.00 O ATOM 2077 CB ASN A 135 -8.649 -7.208 -4.235 1.00 0.00 C ATOM 2078 CG ASN A 135 -9.865 -7.735 -4.997 1.00 0.00 C ATOM 2079 OD1 ASN A 135 -10.659 -8.509 -4.463 1.00 0.00 O ATOM 2080 ND2 ASN A 135 -9.977 -7.384 -6.270 1.00 0.00 N ATOM 0 H ASN A 135 -7.129 -6.489 -2.316 1.00 0.00 H new ATOM 0 HA ASN A 135 -9.099 -5.151 -3.946 1.00 0.00 H new ATOM 0 HB2 ASN A 135 -7.886 -6.912 -4.955 1.00 0.00 H new ATOM 0 HB3 ASN A 135 -8.229 -8.020 -3.642 1.00 0.00 H new ATOM 0 HD21 ASN A 135 -10.738 -7.758 -6.837 1.00 0.00 H new ATOM 0 HD22 ASN A 135 -9.302 -6.740 -6.683 1.00 0.00 H new ATOM 2087 N GLU A 136 -9.997 -7.009 -1.393 1.00 0.00 N ATOM 2088 CA GLU A 136 -11.138 -7.363 -0.623 1.00 0.00 C ATOM 2089 C GLU A 136 -11.338 -6.385 0.535 1.00 0.00 C ATOM 2090 O GLU A 136 -12.430 -5.850 0.706 1.00 0.00 O ATOM 2091 CB GLU A 136 -10.969 -8.820 -0.173 1.00 0.00 C ATOM 2092 CG GLU A 136 -11.794 -9.207 1.040 1.00 0.00 C ATOM 2093 CD GLU A 136 -13.278 -9.326 0.738 1.00 0.00 C ATOM 2094 OE1 GLU A 136 -13.776 -8.619 -0.165 1.00 0.00 O ATOM 2095 OE2 GLU A 136 -13.960 -10.106 1.435 1.00 0.00 O ATOM 0 H GLU A 136 -9.102 -7.351 -1.043 1.00 0.00 H new ATOM 0 HA GLU A 136 -12.050 -7.292 -1.216 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -11.236 -9.476 -1.002 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -9.917 -8.998 0.048 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -11.431 -10.158 1.430 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -11.647 -8.464 1.824 1.00 0.00 H new ATOM 2102 N ARG A 137 -10.273 -6.060 1.264 1.00 0.00 N ATOM 2103 CA ARG A 137 -10.392 -5.172 2.418 1.00 0.00 C ATOM 2104 C ARG A 137 -10.388 -3.698 2.049 1.00 0.00 C ATOM 2105 O ARG A 137 -11.002 -2.918 2.737 1.00 0.00 O ATOM 2106 CB ARG A 137 -9.366 -5.476 3.505 1.00 0.00 C ATOM 2107 CG ARG A 137 -9.033 -4.290 4.416 1.00 0.00 C ATOM 2108 CD ARG A 137 -10.218 -3.844 5.277 1.00 0.00 C ATOM 2109 NE ARG A 137 -10.537 -4.816 6.322 1.00 0.00 N ATOM 2110 CZ ARG A 137 -11.669 -4.825 7.026 1.00 0.00 C ATOM 2111 NH1 ARG A 137 -12.618 -3.925 6.792 1.00 0.00 N ATOM 2112 NH2 ARG A 137 -11.850 -5.741 7.969 1.00 0.00 N ATOM 0 H ARG A 137 -9.327 -6.394 1.079 1.00 0.00 H new ATOM 0 HA ARG A 137 -11.377 -5.384 2.835 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -9.739 -6.296 4.119 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -8.447 -5.824 3.032 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -8.201 -4.561 5.066 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -8.700 -3.452 3.804 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -9.990 -2.882 5.735 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -11.091 -3.696 4.642 1.00 0.00 H new ATOM 0 HE ARG A 137 -9.845 -5.537 6.526 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -12.484 -3.219 6.068 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -13.481 -3.940 7.336 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -11.125 -6.434 8.153 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -12.714 -5.752 8.510 1.00 0.00 H new ATOM 2126 N LEU A 138 -9.698 -3.281 1.009 1.00 0.00 N ATOM 2127 CA LEU A 138 -9.759 -1.878 0.656 1.00 0.00 C ATOM 2128 C LEU A 138 -11.174 -1.593 0.259 1.00 0.00 C ATOM 2129 O LEU A 138 -11.746 -0.594 0.664 1.00 0.00 O ATOM 2130 CB LEU A 138 -8.775 -1.532 -0.455 1.00 0.00 C ATOM 2131 CG LEU A 138 -8.737 -0.081 -0.910 1.00 0.00 C ATOM 2132 CD1 LEU A 138 -8.442 0.848 0.242 1.00 0.00 C ATOM 2133 CD2 LEU A 138 -7.689 0.077 -1.985 1.00 0.00 C ATOM 0 H LEU A 138 -9.111 -3.865 0.414 1.00 0.00 H new ATOM 0 HA LEU A 138 -9.469 -1.256 1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -7.775 -1.810 -0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -9.007 -2.153 -1.320 1.00 0.00 H new ATOM 0 HG LEU A 138 -9.717 0.184 -1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -8.422 1.877 -0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -9.217 0.743 1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -7.474 0.595 0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.659 1.116 -2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -6.714 -0.206 -1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -7.936 -0.564 -2.831 1.00 0.00 H new ATOM 2145 N ARG A 139 -11.759 -2.535 -0.471 1.00 0.00 N ATOM 2146 CA ARG A 139 -13.163 -2.469 -0.783 1.00 0.00 C ATOM 2147 C ARG A 139 -13.967 -2.611 0.500 1.00 0.00 C ATOM 2148 O ARG A 139 -15.052 -2.070 0.619 1.00 0.00 O ATOM 2149 CB ARG A 139 -13.519 -3.548 -1.817 1.00 0.00 C ATOM 2150 CG ARG A 139 -14.908 -3.422 -2.440 1.00 0.00 C ATOM 2151 CD ARG A 139 -15.989 -3.983 -1.531 1.00 0.00 C ATOM 2152 NE ARG A 139 -15.636 -5.316 -1.033 1.00 0.00 N ATOM 2153 CZ ARG A 139 -16.458 -6.082 -0.323 1.00 0.00 C ATOM 2154 NH1 ARG A 139 -17.700 -5.678 -0.094 1.00 0.00 N ATOM 2155 NH2 ARG A 139 -16.043 -7.258 0.137 1.00 0.00 N ATOM 0 H ARG A 139 -11.276 -3.348 -0.853 1.00 0.00 H new ATOM 0 HA ARG A 139 -13.409 -1.504 -1.227 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -12.777 -3.522 -2.615 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -13.440 -4.525 -1.340 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -15.118 -2.373 -2.650 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -14.927 -3.948 -3.394 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -16.144 -3.308 -0.689 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -16.932 -4.035 -2.075 1.00 0.00 H new ATOM 0 HE ARG A 139 -14.705 -5.677 -1.244 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -18.021 -4.783 -0.462 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -18.334 -6.263 0.450 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -15.092 -7.574 -0.055 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -16.675 -7.844 0.682 1.00 0.00 H new ATOM 2169 N LYS A 140 -13.431 -3.333 1.469 1.00 0.00 N ATOM 2170 CA LYS A 140 -14.094 -3.479 2.738 1.00 0.00 C ATOM 2171 C LYS A 140 -14.072 -2.195 3.575 1.00 0.00 C ATOM 2172 O LYS A 140 -15.088 -1.758 4.084 1.00 0.00 O ATOM 2173 CB LYS A 140 -13.454 -4.611 3.529 1.00 0.00 C ATOM 2174 CG LYS A 140 -14.290 -5.868 3.567 1.00 0.00 C ATOM 2175 CD LYS A 140 -13.543 -7.053 3.028 1.00 0.00 C ATOM 2176 CE LYS A 140 -12.359 -7.422 3.900 1.00 0.00 C ATOM 2177 NZ LYS A 140 -12.794 -7.991 5.205 1.00 0.00 N ATOM 0 H LYS A 140 -12.540 -3.824 1.394 1.00 0.00 H new ATOM 0 HA LYS A 140 -15.138 -3.707 2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -12.482 -4.844 3.093 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -13.273 -4.273 4.550 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -14.597 -6.069 4.593 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -15.200 -5.717 2.986 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -14.219 -7.905 2.955 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -13.196 -6.834 2.018 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -11.734 -8.146 3.378 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -11.746 -6.538 4.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -11.961 -8.310 5.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -13.298 -7.263 5.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -13.428 -8.799 5.038 1.00 0.00 H new ATOM 2191 N ALA A 141 -12.930 -1.572 3.669 1.00 0.00 N ATOM 2192 CA ALA A 141 -12.769 -0.389 4.484 1.00 0.00 C ATOM 2193 C ALA A 141 -13.563 0.754 3.886 1.00 0.00 C ATOM 2194 O ALA A 141 -14.040 1.637 4.595 1.00 0.00 O ATOM 2195 CB ALA A 141 -11.304 -0.028 4.603 1.00 0.00 C ATOM 0 H ALA A 141 -12.082 -1.866 3.185 1.00 0.00 H new ATOM 0 HA ALA A 141 -13.148 -0.588 5.487 1.00 0.00 H new ATOM 0 HB1 ALA A 141 -11.198 0.865 5.219 1.00 0.00 H new ATOM 0 HB2 ALA A 141 -10.762 -0.854 5.064 1.00 0.00 H new ATOM 0 HB3 ALA A 141 -10.895 0.165 3.611 1.00 0.00 H new ATOM 2201 N VAL A 142 -13.723 0.710 2.574 1.00 0.00 N ATOM 2202 CA VAL A 142 -14.446 1.736 1.880 1.00 0.00 C ATOM 2203 C VAL A 142 -15.895 1.318 1.718 1.00 0.00 C ATOM 2204 O VAL A 142 -16.763 2.140 1.422 1.00 0.00 O ATOM 2205 CB VAL A 142 -13.820 2.036 0.510 1.00 0.00 C ATOM 2206 CG1 VAL A 142 -12.365 2.449 0.675 1.00 0.00 C ATOM 2207 CG2 VAL A 142 -13.943 0.859 -0.444 1.00 0.00 C ATOM 0 H VAL A 142 -13.357 -0.031 1.976 1.00 0.00 H new ATOM 0 HA VAL A 142 -14.396 2.650 2.472 1.00 0.00 H new ATOM 0 HB VAL A 142 -14.375 2.864 0.068 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -11.933 2.659 -0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -12.309 3.343 1.296 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -11.809 1.641 1.151 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -13.487 1.116 -1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -13.434 -0.007 -0.021 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -14.996 0.623 -0.596 1.00 0.00 H new ATOM 2217 N GLU A 143 -16.153 0.027 1.930 1.00 0.00 N ATOM 2218 CA GLU A 143 -17.499 -0.501 1.787 1.00 0.00 C ATOM 2219 C GLU A 143 -17.761 -1.697 2.726 1.00 0.00 C ATOM 2220 O GLU A 143 -18.621 -1.616 3.602 1.00 0.00 O ATOM 2221 CB GLU A 143 -17.727 -0.848 0.309 1.00 0.00 C ATOM 2222 CG GLU A 143 -18.418 -2.165 0.061 1.00 0.00 C ATOM 2223 CD GLU A 143 -19.893 -2.144 0.409 1.00 0.00 C ATOM 2224 OE1 GLU A 143 -20.547 -1.105 0.187 1.00 0.00 O ATOM 2225 OE2 GLU A 143 -20.406 -3.170 0.885 1.00 0.00 O ATOM 0 H GLU A 143 -15.451 -0.662 2.199 1.00 0.00 H new ATOM 0 HA GLU A 143 -18.221 0.257 2.091 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -18.317 -0.054 -0.148 1.00 0.00 H new ATOM 0 HB3 GLU A 143 -16.762 -0.860 -0.198 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -18.303 -2.435 -0.989 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -17.925 -2.942 0.646 1.00 0.00 H new ATOM 2232 N GLU A 144 -16.954 -2.754 2.577 1.00 0.00 N ATOM 2233 CA GLU A 144 -17.134 -4.053 3.267 1.00 0.00 C ATOM 2234 C GLU A 144 -18.543 -4.630 3.095 1.00 0.00 C ATOM 2235 O GLU A 144 -18.731 -5.585 2.341 1.00 0.00 O ATOM 2236 CB GLU A 144 -16.751 -3.941 4.751 1.00 0.00 C ATOM 2237 CG GLU A 144 -16.896 -5.242 5.531 1.00 0.00 C ATOM 2238 CD GLU A 144 -15.884 -5.367 6.654 1.00 0.00 C ATOM 2239 OE1 GLU A 144 -16.035 -4.678 7.680 1.00 0.00 O ATOM 2240 OE2 GLU A 144 -14.927 -6.162 6.511 1.00 0.00 O ATOM 0 H GLU A 144 -16.139 -2.738 1.963 1.00 0.00 H new ATOM 0 HA GLU A 144 -16.457 -4.760 2.788 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -15.718 -3.599 4.824 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -17.373 -3.178 5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -17.902 -5.302 5.946 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -16.782 -6.084 4.849 1.00 0.00 H new