USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=22 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 102 HIS : no HE2:sc= -3.11! K(o=-3.1!,f=-4.2) USER MOD Set 1.2: A 126 MET CE :methyl 149:sc= -0.0353 (180deg=-0.0208) USER MOD Set 2.1: A 75 SER OG : rot 180:sc= 0.746 USER MOD Set 2.2: A 86 THR OG1 : rot -106:sc= 1.18 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -160:sc= 1.14 (180deg=0.927) 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= -2.98! C(o=-3!,f=-7.3!) USER MOD Single : A 24 LYS NZ :NH3+ 155:sc= 1.28 (180deg=1.18) USER MOD Single : A 28 THR OG1 : rot 72:sc= 1.14 USER MOD Single : A 30 SER OG : rot 57:sc= -3.21! USER MOD Single : A 31 THR OG1 : rot 65:sc= -0.424 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+ -175:sc= 0 (180deg=-0.0527) USER MOD Single : A 50 GLN : amide:sc= -8.42! C(o=-8.4!,f=-19!) USER MOD Single : A 63 CYS SG : rot 19:sc= -6.19! USER MOD Single : A 64 LYS NZ :NH3+ 165:sc= 1.18 (180deg=0.883) USER MOD Single : A 69 GLN : amide:sc= -0.365 K(o=-0.37,f=-0.89) USER MOD Single : A 72 THR OG1 : rot -73:sc= 0.224 USER MOD Single : A 88 GLN : amide:sc= -0.0215 X(o=-0.021,f=-0.45) USER MOD Single : A 95 LYS NZ :NH3+ -169:sc= 0.0185 (180deg=0.0087) USER MOD Single : A 96 THR OG1 : rot -140:sc= -1.44 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0.0275 USER MOD Single : A 135 ASN : amide:sc= -2.63! C(o=-2.6!,f=-5.4!) USER MOD Single : A 140 LYS NZ :NH3+ -149:sc= -0.734 (180deg=-1.55!) USER MOD ----------------------------------------------------------------- ATOM 159 N ILE A 12 4.212 -4.401 -9.537 1.00 0.00 N ATOM 160 CA ILE A 12 3.091 -5.233 -9.193 1.00 0.00 C ATOM 161 C ILE A 12 1.876 -4.353 -9.245 1.00 0.00 C ATOM 162 O ILE A 12 1.802 -3.340 -8.554 1.00 0.00 O ATOM 163 CB ILE A 12 3.244 -5.885 -7.785 1.00 0.00 C ATOM 164 CG1 ILE A 12 3.987 -7.218 -7.903 1.00 0.00 C ATOM 165 CG2 ILE A 12 1.899 -6.087 -7.077 1.00 0.00 C ATOM 166 CD1 ILE A 12 3.257 -8.257 -8.730 1.00 0.00 C ATOM 0 HA ILE A 12 3.015 -6.065 -9.894 1.00 0.00 H new ATOM 0 HB ILE A 12 3.823 -5.194 -7.172 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.967 -7.039 -8.346 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.157 -7.618 -6.903 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.066 -6.544 -6.102 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.408 -5.123 -6.946 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.265 -6.738 -7.679 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.847 -9.173 -8.767 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.288 -8.467 -8.277 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.110 -7.879 -9.742 1.00 0.00 H new ATOM 178 N THR A 13 0.936 -4.713 -10.070 1.00 0.00 N ATOM 179 CA THR A 13 -0.272 -3.967 -10.155 1.00 0.00 C ATOM 180 C THR A 13 -1.427 -4.859 -9.808 1.00 0.00 C ATOM 181 O THR A 13 -1.549 -5.979 -10.308 1.00 0.00 O ATOM 182 CB THR A 13 -0.457 -3.368 -11.558 1.00 0.00 C ATOM 183 OG1 THR A 13 0.280 -4.136 -12.519 1.00 0.00 O ATOM 184 CG2 THR A 13 -0.006 -1.915 -11.601 1.00 0.00 C ATOM 0 H THR A 13 0.989 -5.520 -10.691 1.00 0.00 H new ATOM 0 HA THR A 13 -0.225 -3.138 -9.448 1.00 0.00 H new ATOM 0 HB THR A 13 -1.519 -3.401 -11.803 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.156 -3.750 -13.411 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.149 -1.519 -12.606 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.594 -1.330 -10.894 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.049 -1.853 -11.334 1.00 0.00 H new ATOM 192 N LYS A 14 -2.263 -4.368 -8.942 1.00 0.00 N ATOM 193 CA LYS A 14 -3.404 -5.112 -8.506 1.00 0.00 C ATOM 194 C LYS A 14 -4.627 -4.261 -8.685 1.00 0.00 C ATOM 195 O LYS A 14 -4.669 -3.122 -8.236 1.00 0.00 O ATOM 196 CB LYS A 14 -3.210 -5.536 -7.049 1.00 0.00 C ATOM 197 CG LYS A 14 -2.311 -6.759 -6.908 1.00 0.00 C ATOM 198 CD LYS A 14 -2.941 -7.984 -7.561 1.00 0.00 C ATOM 199 CE LYS A 14 -1.982 -9.168 -7.622 1.00 0.00 C ATOM 200 NZ LYS A 14 -1.075 -9.108 -8.803 1.00 0.00 N ATOM 0 H LYS A 14 -2.173 -3.444 -8.520 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.527 -6.019 -9.098 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.779 -4.707 -6.488 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.182 -5.751 -6.605 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.343 -6.557 -7.366 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.128 -6.960 -5.852 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.833 -8.271 -7.004 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.264 -7.729 -8.570 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.385 -9.195 -6.710 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.555 -10.094 -7.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.693 -10.056 -8.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.606 -8.773 -9.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.292 -8.453 -8.606 1.00 0.00 H new ATOM 214 N SER A 15 -5.623 -4.804 -9.328 1.00 0.00 N ATOM 215 CA SER A 15 -6.778 -4.027 -9.657 1.00 0.00 C ATOM 216 C SER A 15 -8.027 -4.633 -9.084 1.00 0.00 C ATOM 217 O SER A 15 -8.253 -5.845 -9.126 1.00 0.00 O ATOM 218 CB SER A 15 -6.884 -3.892 -11.168 1.00 0.00 C ATOM 219 OG SER A 15 -6.310 -5.016 -11.818 1.00 0.00 O ATOM 0 H SER A 15 -5.656 -5.777 -9.632 1.00 0.00 H new ATOM 0 HA SER A 15 -6.670 -3.036 -9.216 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.931 -3.796 -11.456 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.379 -2.982 -11.492 1.00 0.00 H new ATOM 0 HG SER A 15 -6.391 -4.909 -12.789 1.00 0.00 H new ATOM 225 N ILE A 16 -8.807 -3.750 -8.530 1.00 0.00 N ATOM 226 CA ILE A 16 -10.058 -4.068 -7.925 1.00 0.00 C ATOM 227 C ILE A 16 -10.967 -2.873 -8.038 1.00 0.00 C ATOM 228 O ILE A 16 -10.510 -1.734 -8.031 1.00 0.00 O ATOM 229 CB ILE A 16 -9.905 -4.453 -6.444 1.00 0.00 C ATOM 230 CG1 ILE A 16 -11.279 -4.425 -5.770 1.00 0.00 C ATOM 231 CG2 ILE A 16 -8.899 -3.553 -5.740 1.00 0.00 C ATOM 232 CD1 ILE A 16 -11.461 -3.391 -4.689 1.00 0.00 C ATOM 0 H ILE A 16 -8.577 -2.757 -8.488 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.477 -4.929 -8.446 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.509 -5.466 -6.373 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -12.035 -4.258 -6.537 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.472 -5.408 -5.341 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -8.813 -3.851 -4.695 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.927 -3.645 -6.224 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.235 -2.518 -5.796 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -12.470 -3.463 -4.283 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.736 -3.565 -3.893 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -11.308 -2.396 -5.108 1.00 0.00 H new ATOM 244 N THR A 17 -12.238 -3.117 -8.154 1.00 0.00 N ATOM 245 CA THR A 17 -13.170 -2.034 -8.146 1.00 0.00 C ATOM 246 C THR A 17 -13.720 -1.862 -6.740 1.00 0.00 C ATOM 247 O THR A 17 -14.342 -2.771 -6.188 1.00 0.00 O ATOM 248 CB THR A 17 -14.317 -2.296 -9.120 1.00 0.00 C ATOM 249 OG1 THR A 17 -13.818 -2.951 -10.294 1.00 0.00 O ATOM 250 CG2 THR A 17 -14.966 -0.990 -9.514 1.00 0.00 C ATOM 0 H THR A 17 -12.648 -4.045 -8.254 1.00 0.00 H new ATOM 0 HA THR A 17 -12.657 -1.125 -8.460 1.00 0.00 H new ATOM 0 HB THR A 17 -15.054 -2.934 -8.633 1.00 0.00 H new ATOM 0 HG1 THR A 17 -14.558 -3.118 -10.915 1.00 0.00 H new ATOM 0 HG21 THR A 17 -15.783 -1.185 -10.209 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.356 -0.495 -8.625 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.228 -0.347 -9.993 1.00 0.00 H new ATOM 258 N LEU A 18 -13.491 -0.693 -6.167 1.00 0.00 N ATOM 259 CA LEU A 18 -13.997 -0.383 -4.866 1.00 0.00 C ATOM 260 C LEU A 18 -15.308 0.264 -5.089 1.00 0.00 C ATOM 261 O LEU A 18 -15.355 1.367 -5.603 1.00 0.00 O ATOM 262 CB LEU A 18 -13.093 0.614 -4.141 1.00 0.00 C ATOM 263 CG LEU A 18 -11.643 0.210 -4.013 1.00 0.00 C ATOM 264 CD1 LEU A 18 -10.799 1.406 -3.640 1.00 0.00 C ATOM 265 CD2 LEU A 18 -11.479 -0.875 -2.972 1.00 0.00 C ATOM 0 H LEU A 18 -12.950 0.057 -6.598 1.00 0.00 H new ATOM 0 HA LEU A 18 -14.058 -1.286 -4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.140 1.568 -4.666 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -13.494 0.780 -3.141 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.311 -0.177 -4.976 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.756 1.102 -3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.889 2.170 -4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.142 1.810 -2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.427 -1.151 -2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.828 -0.509 -2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.063 -1.749 -3.262 1.00 0.00 H new ATOM 277 N GLU A 19 -16.385 -0.388 -4.785 1.00 0.00 N ATOM 278 CA GLU A 19 -17.614 0.315 -4.936 1.00 0.00 C ATOM 279 C GLU A 19 -17.693 1.282 -3.772 1.00 0.00 C ATOM 280 O GLU A 19 -18.207 0.969 -2.714 1.00 0.00 O ATOM 281 CB GLU A 19 -18.762 -0.693 -4.948 1.00 0.00 C ATOM 282 CG GLU A 19 -18.305 -2.102 -4.571 1.00 0.00 C ATOM 283 CD GLU A 19 -19.148 -3.182 -5.224 1.00 0.00 C ATOM 284 OE1 GLU A 19 -19.075 -3.329 -6.462 1.00 0.00 O ATOM 285 OE2 GLU A 19 -19.864 -3.908 -4.505 1.00 0.00 O ATOM 0 H GLU A 19 -16.441 -1.350 -4.450 1.00 0.00 H new ATOM 0 HA GLU A 19 -17.678 0.871 -5.871 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -19.535 -0.367 -4.253 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -19.213 -0.714 -5.940 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.263 -2.233 -4.863 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.349 -2.217 -3.488 1.00 0.00 H new ATOM 292 N ALA A 20 -17.149 2.464 -4.000 1.00 0.00 N ATOM 293 CA ALA A 20 -17.095 3.496 -2.982 1.00 0.00 C ATOM 294 C ALA A 20 -17.002 4.864 -3.621 1.00 0.00 C ATOM 295 O ALA A 20 -16.748 4.976 -4.809 1.00 0.00 O ATOM 296 CB ALA A 20 -15.910 3.261 -2.064 1.00 0.00 C ATOM 0 H ALA A 20 -16.734 2.734 -4.892 1.00 0.00 H new ATOM 0 HA ALA A 20 -18.010 3.453 -2.392 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -15.879 4.041 -1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -16.010 2.288 -1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -14.989 3.284 -2.646 1.00 0.00 H new ATOM 302 N PRO A 21 -17.181 5.925 -2.855 1.00 0.00 N ATOM 303 CA PRO A 21 -16.812 7.252 -3.307 1.00 0.00 C ATOM 304 C PRO A 21 -15.321 7.492 -3.083 1.00 0.00 C ATOM 305 O PRO A 21 -14.711 6.838 -2.230 1.00 0.00 O ATOM 306 CB PRO A 21 -17.640 8.150 -2.412 1.00 0.00 C ATOM 307 CG PRO A 21 -17.744 7.394 -1.131 1.00 0.00 C ATOM 308 CD PRO A 21 -17.744 5.932 -1.497 1.00 0.00 C ATOM 0 HA PRO A 21 -16.989 7.419 -4.369 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -17.160 9.118 -2.265 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -18.623 8.343 -2.841 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -16.908 7.629 -0.473 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -18.656 7.660 -0.596 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -17.138 5.344 -0.807 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -18.749 5.512 -1.476 1.00 0.00 H new ATOM 316 N ILE A 22 -14.737 8.431 -3.820 1.00 0.00 N ATOM 317 CA ILE A 22 -13.301 8.701 -3.723 1.00 0.00 C ATOM 318 C ILE A 22 -12.918 9.059 -2.295 1.00 0.00 C ATOM 319 O ILE A 22 -11.845 8.730 -1.811 1.00 0.00 O ATOM 320 CB ILE A 22 -12.882 9.837 -4.686 1.00 0.00 C ATOM 321 CG1 ILE A 22 -11.395 10.164 -4.532 1.00 0.00 C ATOM 322 CG2 ILE A 22 -13.727 11.079 -4.453 1.00 0.00 C ATOM 323 CD1 ILE A 22 -10.858 11.093 -5.597 1.00 0.00 C ATOM 0 H ILE A 22 -15.232 9.019 -4.491 1.00 0.00 H new ATOM 0 HA ILE A 22 -12.771 7.793 -4.012 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.051 9.492 -5.706 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.232 10.616 -3.554 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -10.825 9.235 -4.553 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -13.416 11.865 -5.141 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -14.777 10.842 -4.624 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.595 11.421 -3.427 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.798 11.277 -5.419 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -10.987 10.635 -6.578 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -11.401 12.038 -5.563 1.00 0.00 H new ATOM 335 N GLN A 23 -13.854 9.695 -1.638 1.00 0.00 N ATOM 336 CA GLN A 23 -13.714 10.182 -0.278 1.00 0.00 C ATOM 337 C GLN A 23 -13.622 9.069 0.784 1.00 0.00 C ATOM 338 O GLN A 23 -12.982 9.254 1.819 1.00 0.00 O ATOM 339 CB GLN A 23 -14.881 11.105 -0.013 1.00 0.00 C ATOM 340 CG GLN A 23 -16.159 10.538 -0.554 1.00 0.00 C ATOM 341 CD GLN A 23 -16.923 11.527 -1.419 1.00 0.00 C ATOM 342 OE1 GLN A 23 -17.620 11.137 -2.348 1.00 0.00 O ATOM 343 NE2 GLN A 23 -16.797 12.811 -1.124 1.00 0.00 N ATOM 0 H GLN A 23 -14.768 9.898 -2.044 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.763 10.708 -0.193 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -14.980 11.271 1.060 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -14.690 12.076 -0.469 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -15.936 9.646 -1.140 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -16.792 10.224 0.276 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -16.208 13.099 -0.343 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -17.289 13.512 -1.678 1.00 0.00 H new ATOM 352 N LYS A 24 -14.259 7.926 0.564 1.00 0.00 N ATOM 353 CA LYS A 24 -14.195 6.863 1.565 1.00 0.00 C ATOM 354 C LYS A 24 -12.896 6.067 1.399 1.00 0.00 C ATOM 355 O LYS A 24 -12.219 5.713 2.369 1.00 0.00 O ATOM 356 CB LYS A 24 -15.415 5.947 1.425 1.00 0.00 C ATOM 357 CG LYS A 24 -15.459 4.802 2.421 1.00 0.00 C ATOM 358 CD LYS A 24 -15.505 5.295 3.855 1.00 0.00 C ATOM 359 CE LYS A 24 -15.671 4.134 4.822 1.00 0.00 C ATOM 360 NZ LYS A 24 -15.617 4.567 6.241 1.00 0.00 N ATOM 0 H LYS A 24 -14.809 7.712 -0.268 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.203 7.303 2.562 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -16.318 6.546 1.539 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -15.431 5.535 0.416 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -16.334 4.183 2.223 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.583 4.169 2.284 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.589 5.838 4.087 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.331 5.996 3.977 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.624 3.640 4.632 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.888 3.398 4.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.133 3.884 6.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.626 4.614 6.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.054 5.506 6.334 1.00 0.00 H new ATOM 374 N VAL A 25 -12.525 5.849 0.155 1.00 0.00 N ATOM 375 CA VAL A 25 -11.192 5.379 -0.189 1.00 0.00 C ATOM 376 C VAL A 25 -10.137 6.402 0.255 1.00 0.00 C ATOM 377 O VAL A 25 -9.030 6.044 0.624 1.00 0.00 O ATOM 378 CB VAL A 25 -11.047 5.050 -1.689 1.00 0.00 C ATOM 379 CG1 VAL A 25 -9.833 4.161 -1.890 1.00 0.00 C ATOM 380 CG2 VAL A 25 -12.308 4.364 -2.224 1.00 0.00 C ATOM 0 H VAL A 25 -13.136 5.991 -0.649 1.00 0.00 H new ATOM 0 HA VAL A 25 -11.029 4.445 0.349 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.914 5.978 -2.245 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.726 3.925 -2.949 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.940 4.680 -1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.960 3.238 -1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.180 4.143 -3.284 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.477 3.436 -1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -13.165 5.024 -2.092 1.00 0.00 H new ATOM 390 N TRP A 26 -10.495 7.676 0.186 1.00 0.00 N ATOM 391 CA TRP A 26 -9.656 8.780 0.677 1.00 0.00 C ATOM 392 C TRP A 26 -9.298 8.544 2.128 1.00 0.00 C ATOM 393 O TRP A 26 -8.173 8.770 2.549 1.00 0.00 O ATOM 394 CB TRP A 26 -10.495 10.048 0.605 1.00 0.00 C ATOM 395 CG TRP A 26 -9.787 11.334 0.383 1.00 0.00 C ATOM 396 CD1 TRP A 26 -8.844 11.960 1.145 1.00 0.00 C ATOM 397 CD2 TRP A 26 -10.056 12.180 -0.706 1.00 0.00 C ATOM 398 NE1 TRP A 26 -8.503 13.159 0.555 1.00 0.00 N ATOM 399 CE2 TRP A 26 -9.244 13.309 -0.591 1.00 0.00 C ATOM 400 CE3 TRP A 26 -10.918 12.060 -1.777 1.00 0.00 C ATOM 401 CZ2 TRP A 26 -9.278 14.333 -1.535 1.00 0.00 C ATOM 402 CZ3 TRP A 26 -10.961 13.056 -2.710 1.00 0.00 C ATOM 403 CH2 TRP A 26 -10.143 14.189 -2.590 1.00 0.00 C ATOM 0 H TRP A 26 -11.381 7.984 -0.214 1.00 0.00 H new ATOM 0 HA TRP A 26 -8.746 8.856 0.082 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -11.223 9.923 -0.197 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -11.057 10.131 1.535 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -8.430 11.577 2.066 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -7.815 13.823 0.911 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -11.550 11.190 -1.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -8.648 15.205 -1.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -11.633 12.970 -3.551 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -10.195 14.962 -3.342 1.00 0.00 H new ATOM 414 N GLU A 27 -10.292 8.102 2.873 1.00 0.00 N ATOM 415 CA GLU A 27 -10.126 7.679 4.253 1.00 0.00 C ATOM 416 C GLU A 27 -9.260 6.417 4.326 1.00 0.00 C ATOM 417 O GLU A 27 -8.636 6.134 5.350 1.00 0.00 O ATOM 418 CB GLU A 27 -11.500 7.405 4.857 1.00 0.00 C ATOM 419 CG GLU A 27 -11.492 7.080 6.340 1.00 0.00 C ATOM 420 CD GLU A 27 -12.872 6.722 6.849 1.00 0.00 C ATOM 421 OE1 GLU A 27 -13.661 7.644 7.142 1.00 0.00 O ATOM 422 OE2 GLU A 27 -13.179 5.515 6.950 1.00 0.00 O ATOM 0 H GLU A 27 -11.251 8.025 2.534 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.627 8.469 4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.133 8.277 4.694 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.958 6.574 4.320 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.810 6.250 6.526 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.111 7.936 6.897 1.00 0.00 H new ATOM 429 N THR A 28 -9.309 5.624 3.259 1.00 0.00 N ATOM 430 CA THR A 28 -8.693 4.304 3.240 1.00 0.00 C ATOM 431 C THR A 28 -7.309 4.153 2.527 1.00 0.00 C ATOM 432 O THR A 28 -6.711 3.097 2.630 1.00 0.00 O ATOM 433 CB THR A 28 -9.682 3.273 2.696 1.00 0.00 C ATOM 434 OG1 THR A 28 -10.982 3.510 3.264 1.00 0.00 O ATOM 435 CG2 THR A 28 -9.227 1.882 3.071 1.00 0.00 C ATOM 0 H THR A 28 -9.775 5.878 2.388 1.00 0.00 H new ATOM 0 HA THR A 28 -8.450 4.127 4.288 1.00 0.00 H new ATOM 0 HB THR A 28 -9.730 3.362 1.611 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.366 4.323 2.874 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.935 1.150 2.681 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.241 1.695 2.646 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.177 1.796 4.156 1.00 0.00 H new ATOM 443 N VAL A 29 -6.794 5.137 1.784 1.00 0.00 N ATOM 444 CA VAL A 29 -5.523 4.917 1.042 1.00 0.00 C ATOM 445 C VAL A 29 -4.484 6.029 1.241 1.00 0.00 C ATOM 446 O VAL A 29 -3.411 5.794 1.774 1.00 0.00 O ATOM 447 CB VAL A 29 -5.725 4.677 -0.479 1.00 0.00 C ATOM 448 CG1 VAL A 29 -6.490 3.409 -0.719 1.00 0.00 C ATOM 449 CG2 VAL A 29 -6.417 5.836 -1.166 1.00 0.00 C ATOM 0 H VAL A 29 -7.208 6.063 1.674 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.132 4.003 1.489 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.730 4.588 -0.914 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.620 3.260 -1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.939 2.567 -0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.467 3.477 -0.241 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.532 5.614 -2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.399 5.990 -0.719 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.819 6.739 -1.047 1.00 0.00 H new ATOM 459 N SER A 30 -4.770 7.231 0.808 1.00 0.00 N ATOM 460 CA SER A 30 -3.795 8.306 0.930 1.00 0.00 C ATOM 461 C SER A 30 -4.112 9.114 2.165 1.00 0.00 C ATOM 462 O SER A 30 -4.521 10.272 2.093 1.00 0.00 O ATOM 463 CB SER A 30 -3.805 9.174 -0.313 1.00 0.00 C ATOM 464 OG SER A 30 -5.111 9.624 -0.604 1.00 0.00 O ATOM 0 H SER A 30 -5.654 7.496 0.373 1.00 0.00 H new ATOM 0 HA SER A 30 -2.793 7.888 1.027 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.145 10.030 -0.169 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.414 8.609 -1.159 1.00 0.00 H new ATOM 0 HG SER A 30 -5.472 10.103 0.171 1.00 0.00 H new ATOM 470 N THR A 31 -3.968 8.462 3.291 1.00 0.00 N ATOM 471 CA THR A 31 -4.465 8.979 4.529 1.00 0.00 C ATOM 472 C THR A 31 -3.689 8.374 5.682 1.00 0.00 C ATOM 473 O THR A 31 -2.718 7.653 5.463 1.00 0.00 O ATOM 474 CB THR A 31 -5.982 8.719 4.627 1.00 0.00 C ATOM 475 OG1 THR A 31 -6.498 9.005 5.936 1.00 0.00 O ATOM 476 CG2 THR A 31 -6.292 7.292 4.226 1.00 0.00 C ATOM 0 H THR A 31 -3.502 7.558 3.369 1.00 0.00 H new ATOM 0 HA THR A 31 -4.321 10.058 4.577 1.00 0.00 H new ATOM 0 HB THR A 31 -6.479 9.400 3.936 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.407 9.963 6.121 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.366 7.119 4.299 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.966 7.123 3.200 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.768 6.605 4.891 1.00 0.00 H new ATOM 484 N SER A 32 -4.075 8.724 6.884 1.00 0.00 N ATOM 485 CA SER A 32 -3.504 8.154 8.083 1.00 0.00 C ATOM 486 C SER A 32 -3.801 6.662 8.116 1.00 0.00 C ATOM 487 O SER A 32 -4.539 6.155 7.266 1.00 0.00 O ATOM 488 CB SER A 32 -4.061 8.810 9.336 1.00 0.00 C ATOM 489 OG SER A 32 -3.882 10.220 9.301 1.00 0.00 O ATOM 0 H SER A 32 -4.801 9.419 7.061 1.00 0.00 H new ATOM 0 HA SER A 32 -2.428 8.328 8.065 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.122 8.578 9.430 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.565 8.400 10.216 1.00 0.00 H new ATOM 0 HG SER A 32 -4.251 10.617 10.118 1.00 0.00 H new ATOM 495 N GLU A 33 -3.159 5.974 9.054 1.00 0.00 N ATOM 496 CA GLU A 33 -2.993 4.515 9.094 1.00 0.00 C ATOM 497 C GLU A 33 -4.287 3.717 8.867 1.00 0.00 C ATOM 498 O GLU A 33 -4.266 2.494 8.918 1.00 0.00 O ATOM 499 CB GLU A 33 -2.388 4.117 10.430 1.00 0.00 C ATOM 500 CG GLU A 33 -1.330 5.092 10.916 1.00 0.00 C ATOM 501 CD GLU A 33 -1.239 5.126 12.426 1.00 0.00 C ATOM 502 OE1 GLU A 33 -0.621 4.218 13.018 1.00 0.00 O ATOM 503 OE2 GLU A 33 -1.820 6.053 13.027 1.00 0.00 O ATOM 0 H GLU A 33 -2.717 6.436 9.849 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.335 4.264 8.262 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.180 4.048 11.175 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.946 3.124 10.341 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.362 4.812 10.501 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.560 6.091 10.544 1.00 0.00 H new ATOM 510 N GLY A 34 -5.416 4.381 8.714 1.00 0.00 N ATOM 511 CA GLY A 34 -6.600 3.678 8.271 1.00 0.00 C ATOM 512 C GLY A 34 -6.355 2.983 6.945 1.00 0.00 C ATOM 513 O GLY A 34 -6.927 1.927 6.684 1.00 0.00 O ATOM 0 H GLY A 34 -5.537 5.379 8.885 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.894 2.944 9.022 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.428 4.380 8.170 1.00 0.00 H new ATOM 517 N ILE A 35 -5.500 3.570 6.104 1.00 0.00 N ATOM 518 CA ILE A 35 -5.038 2.896 4.922 1.00 0.00 C ATOM 519 C ILE A 35 -4.149 1.697 5.265 1.00 0.00 C ATOM 520 O ILE A 35 -4.160 0.677 4.588 1.00 0.00 O ATOM 521 CB ILE A 35 -4.359 3.865 3.942 1.00 0.00 C ATOM 522 CG1 ILE A 35 -3.545 3.117 2.889 1.00 0.00 C ATOM 523 CG2 ILE A 35 -3.515 4.919 4.643 1.00 0.00 C ATOM 524 CD1 ILE A 35 -2.054 3.229 3.107 1.00 0.00 C ATOM 0 H ILE A 35 -5.123 4.509 6.233 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.915 2.499 4.411 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.163 4.397 3.433 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.830 2.065 2.897 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.793 3.507 1.902 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.061 5.574 3.900 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.147 5.508 5.308 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.732 4.431 5.224 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.530 2.677 2.327 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.759 4.278 3.070 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.796 2.813 4.081 1.00 0.00 H new ATOM 536 N ALA A 36 -3.361 1.833 6.304 1.00 0.00 N ATOM 537 CA ALA A 36 -2.676 0.676 6.885 1.00 0.00 C ATOM 538 C ALA A 36 -3.664 -0.451 7.213 1.00 0.00 C ATOM 539 O ALA A 36 -3.332 -1.634 7.096 1.00 0.00 O ATOM 540 CB ALA A 36 -1.940 1.075 8.154 1.00 0.00 C ATOM 0 H ALA A 36 -3.171 2.720 6.770 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.963 0.315 6.144 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.437 0.203 8.572 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.202 1.843 7.921 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.653 1.466 8.880 1.00 0.00 H new ATOM 689 N GLN A 45 0.575 8.607 6.509 1.00 0.00 N ATOM 690 CA GLN A 45 -0.269 9.783 6.523 1.00 0.00 C ATOM 691 C GLN A 45 -0.001 10.443 5.197 1.00 0.00 C ATOM 692 O GLN A 45 1.139 10.373 4.738 1.00 0.00 O ATOM 693 CB GLN A 45 0.122 10.722 7.674 1.00 0.00 C ATOM 694 CG GLN A 45 0.178 10.044 9.033 1.00 0.00 C ATOM 695 CD GLN A 45 0.566 10.998 10.144 1.00 0.00 C ATOM 696 OE1 GLN A 45 1.748 11.210 10.410 1.00 0.00 O ATOM 697 NE2 GLN A 45 -0.424 11.570 10.810 1.00 0.00 N ATOM 0 HA GLN A 45 -1.321 9.537 6.669 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.097 11.159 7.457 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.593 11.543 7.718 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.795 9.607 9.257 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.895 9.224 8.997 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.392 11.368 10.558 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.220 12.213 11.575 1.00 0.00 H new ATOM 706 N LEU A 46 -0.975 11.060 4.538 1.00 0.00 N ATOM 707 CA LEU A 46 -0.649 11.576 3.225 1.00 0.00 C ATOM 708 C LEU A 46 0.230 12.803 3.387 1.00 0.00 C ATOM 709 O LEU A 46 -0.201 13.906 3.726 1.00 0.00 O ATOM 710 CB LEU A 46 -1.879 11.846 2.342 1.00 0.00 C ATOM 711 CG LEU A 46 -2.705 13.094 2.655 1.00 0.00 C ATOM 712 CD1 LEU A 46 -3.744 13.332 1.569 1.00 0.00 C ATOM 713 CD2 LEU A 46 -3.384 12.984 4.013 1.00 0.00 C ATOM 0 H LEU A 46 -1.930 11.207 4.865 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.101 10.804 2.685 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.543 11.914 1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.538 10.980 2.407 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.022 13.943 2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.323 14.224 1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.243 13.470 0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.411 12.472 1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.963 13.887 4.205 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.048 12.120 4.019 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.628 12.866 4.789 1.00 0.00 H new ATOM 725 N LYS A 47 1.487 12.539 3.155 1.00 0.00 N ATOM 726 CA LYS A 47 2.559 13.480 3.286 1.00 0.00 C ATOM 727 C LYS A 47 3.348 13.408 2.024 1.00 0.00 C ATOM 728 O LYS A 47 3.271 12.417 1.341 1.00 0.00 O ATOM 729 CB LYS A 47 3.435 13.143 4.479 1.00 0.00 C ATOM 730 CG LYS A 47 2.925 13.730 5.777 1.00 0.00 C ATOM 731 CD LYS A 47 3.793 13.328 6.962 1.00 0.00 C ATOM 732 CE LYS A 47 3.167 13.724 8.294 1.00 0.00 C ATOM 733 NZ LYS A 47 2.897 15.183 8.379 1.00 0.00 N ATOM 0 H LYS A 47 1.804 11.617 2.855 1.00 0.00 H new ATOM 0 HA LYS A 47 2.171 14.485 3.451 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.501 12.060 4.579 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.445 13.508 4.295 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.899 14.817 5.698 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.901 13.398 5.948 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.953 12.250 6.944 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.772 13.797 6.869 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.235 13.176 8.432 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.832 13.432 9.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.551 15.417 9.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.773 15.710 8.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.177 15.444 7.675 1.00 0.00 H new ATOM 747 N GLU A 48 3.970 14.471 1.632 1.00 0.00 N ATOM 748 CA GLU A 48 4.758 14.428 0.434 1.00 0.00 C ATOM 749 C GLU A 48 6.199 14.868 0.652 1.00 0.00 C ATOM 750 O GLU A 48 6.462 15.934 1.218 1.00 0.00 O ATOM 751 CB GLU A 48 4.060 15.168 -0.683 1.00 0.00 C ATOM 752 CG GLU A 48 3.892 14.279 -1.881 1.00 0.00 C ATOM 753 CD GLU A 48 5.127 14.277 -2.751 1.00 0.00 C ATOM 754 OE1 GLU A 48 6.101 13.592 -2.405 1.00 0.00 O ATOM 755 OE2 GLU A 48 5.133 14.997 -3.775 1.00 0.00 O ATOM 0 H GLU A 48 3.952 15.371 2.112 1.00 0.00 H new ATOM 0 HA GLU A 48 4.841 13.386 0.126 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.085 15.516 -0.342 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.636 16.052 -0.957 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.676 13.262 -1.553 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.035 14.614 -2.466 1.00 0.00 H new ATOM 762 N GLY A 49 7.118 14.037 0.178 1.00 0.00 N ATOM 763 CA GLY A 49 8.552 14.293 0.316 1.00 0.00 C ATOM 764 C GLY A 49 8.959 14.496 1.761 1.00 0.00 C ATOM 765 O GLY A 49 9.800 15.339 2.083 1.00 0.00 O ATOM 0 H GLY A 49 6.896 13.170 -0.311 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.111 13.456 -0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.819 15.177 -0.263 1.00 0.00 H new ATOM 769 N GLN A 50 8.327 13.729 2.620 1.00 0.00 N ATOM 770 CA GLN A 50 8.419 13.876 4.044 1.00 0.00 C ATOM 771 C GLN A 50 9.201 12.728 4.624 1.00 0.00 C ATOM 772 O GLN A 50 9.559 11.792 3.915 1.00 0.00 O ATOM 773 CB GLN A 50 7.005 13.870 4.605 1.00 0.00 C ATOM 774 CG GLN A 50 6.531 12.486 4.971 1.00 0.00 C ATOM 775 CD GLN A 50 6.486 11.591 3.770 1.00 0.00 C ATOM 776 OE1 GLN A 50 6.190 12.033 2.669 1.00 0.00 O ATOM 777 NE2 GLN A 50 6.865 10.348 3.956 1.00 0.00 N ATOM 0 H GLN A 50 7.717 12.964 2.332 1.00 0.00 H new ATOM 0 HA GLN A 50 8.926 14.806 4.299 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.966 14.508 5.488 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.325 14.300 3.870 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.196 12.058 5.721 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.540 12.546 5.420 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.103 10.022 4.893 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.922 9.708 3.164 1.00 0.00 H new ATOM 786 N GLU A 51 9.475 12.801 5.896 1.00 0.00 N ATOM 787 CA GLU A 51 9.742 11.594 6.625 1.00 0.00 C ATOM 788 C GLU A 51 8.693 11.450 7.725 1.00 0.00 C ATOM 789 O GLU A 51 8.444 12.395 8.470 1.00 0.00 O ATOM 790 CB GLU A 51 11.157 11.592 7.211 1.00 0.00 C ATOM 791 CG GLU A 51 12.258 11.611 6.160 1.00 0.00 C ATOM 792 CD GLU A 51 12.553 12.998 5.611 1.00 0.00 C ATOM 793 OE1 GLU A 51 12.105 14.001 6.214 1.00 0.00 O ATOM 794 OE2 GLU A 51 13.256 13.091 4.581 1.00 0.00 O ATOM 0 H GLU A 51 9.519 13.663 6.440 1.00 0.00 H new ATOM 0 HA GLU A 51 9.684 10.743 5.946 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.272 12.460 7.860 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.280 10.708 7.836 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.170 11.200 6.594 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.973 10.956 5.336 1.00 0.00 H new ATOM 966 N CYS A 63 10.092 6.476 6.352 1.00 0.00 N ATOM 967 CA CYS A 63 9.480 6.329 5.060 1.00 0.00 C ATOM 968 C CYS A 63 9.226 7.715 4.487 1.00 0.00 C ATOM 969 O CYS A 63 8.987 8.664 5.240 1.00 0.00 O ATOM 970 CB CYS A 63 8.187 5.535 5.225 1.00 0.00 C ATOM 971 SG CYS A 63 7.233 5.289 3.728 1.00 0.00 S ATOM 0 HA CYS A 63 10.126 5.788 4.368 1.00 0.00 H new ATOM 0 HB2 CYS A 63 8.432 4.559 5.643 1.00 0.00 H new ATOM 0 HB3 CYS A 63 7.559 6.045 5.955 1.00 0.00 H new ATOM 0 HG CYS A 63 7.991 5.492 2.692 1.00 0.00 H new ATOM 977 N LYS A 64 9.267 7.837 3.173 1.00 0.00 N ATOM 978 CA LYS A 64 9.194 9.139 2.532 1.00 0.00 C ATOM 979 C LYS A 64 8.247 9.042 1.362 1.00 0.00 C ATOM 980 O LYS A 64 8.288 8.061 0.625 1.00 0.00 O ATOM 981 CB LYS A 64 10.589 9.581 2.074 1.00 0.00 C ATOM 982 CG LYS A 64 11.294 8.570 1.186 1.00 0.00 C ATOM 983 CD LYS A 64 12.681 9.043 0.786 1.00 0.00 C ATOM 984 CE LYS A 64 13.334 8.079 -0.190 1.00 0.00 C ATOM 985 NZ LYS A 64 12.608 8.027 -1.487 1.00 0.00 N ATOM 0 H LYS A 64 9.350 7.051 2.528 1.00 0.00 H new ATOM 0 HA LYS A 64 8.825 9.886 3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.502 10.525 1.535 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.206 9.771 2.952 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.372 7.617 1.710 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.698 8.394 0.291 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.613 10.032 0.333 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.304 9.141 1.675 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.367 8.382 -0.364 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.364 7.082 0.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.208 7.569 -2.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.730 7.482 -1.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.378 8.993 -1.795 1.00 0.00 H new ATOM 999 N VAL A 65 7.341 9.996 1.215 1.00 0.00 N ATOM 1000 CA VAL A 65 6.441 9.928 0.098 1.00 0.00 C ATOM 1001 C VAL A 65 7.096 10.529 -1.130 1.00 0.00 C ATOM 1002 O VAL A 65 7.621 11.635 -1.083 1.00 0.00 O ATOM 1003 CB VAL A 65 5.102 10.612 0.380 1.00 0.00 C ATOM 1004 CG1 VAL A 65 4.269 10.692 -0.876 1.00 0.00 C ATOM 1005 CG2 VAL A 65 4.341 9.856 1.460 1.00 0.00 C ATOM 0 H VAL A 65 7.218 10.796 1.836 1.00 0.00 H new ATOM 0 HA VAL A 65 6.224 8.875 -0.082 1.00 0.00 H new ATOM 0 HB VAL A 65 5.303 11.625 0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.321 11.182 -0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.805 11.266 -1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.079 9.686 -1.251 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.390 10.353 1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.156 8.835 1.127 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.931 9.838 2.376 1.00 0.00 H new ATOM 1015 N LEU A 66 7.099 9.772 -2.207 1.00 0.00 N ATOM 1016 CA LEU A 66 7.669 10.217 -3.461 1.00 0.00 C ATOM 1017 C LEU A 66 6.720 11.170 -4.161 1.00 0.00 C ATOM 1018 O LEU A 66 7.143 12.139 -4.795 1.00 0.00 O ATOM 1019 CB LEU A 66 7.929 9.006 -4.341 1.00 0.00 C ATOM 1020 CG LEU A 66 9.379 8.846 -4.827 1.00 0.00 C ATOM 1021 CD1 LEU A 66 10.358 9.166 -3.710 1.00 0.00 C ATOM 1022 CD2 LEU A 66 9.623 7.429 -5.330 1.00 0.00 C ATOM 0 H LEU A 66 6.706 8.831 -2.238 1.00 0.00 H new ATOM 0 HA LEU A 66 8.605 10.742 -3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.647 8.109 -3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.276 9.063 -5.212 1.00 0.00 H new ATOM 0 HG LEU A 66 9.537 9.546 -5.647 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.378 9.047 -4.075 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.209 10.194 -3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.190 8.487 -2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.655 7.336 -5.669 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.441 6.720 -4.522 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.948 7.216 -6.159 1.00 0.00 H new ATOM 1034 N ALA A 67 5.440 10.851 -4.079 1.00 0.00 N ATOM 1035 CA ALA A 67 4.394 11.675 -4.638 1.00 0.00 C ATOM 1036 C ALA A 67 3.090 11.365 -3.939 1.00 0.00 C ATOM 1037 O ALA A 67 2.798 10.208 -3.668 1.00 0.00 O ATOM 1038 CB ALA A 67 4.260 11.439 -6.126 1.00 0.00 C ATOM 0 H ALA A 67 5.100 10.007 -3.619 1.00 0.00 H new ATOM 0 HA ALA A 67 4.649 12.724 -4.487 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.466 12.071 -6.525 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.201 11.684 -6.619 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.017 10.392 -6.308 1.00 0.00 H new ATOM 1044 N VAL A 68 2.308 12.369 -3.636 1.00 0.00 N ATOM 1045 CA VAL A 68 1.006 12.107 -3.071 1.00 0.00 C ATOM 1046 C VAL A 68 -0.035 13.041 -3.655 1.00 0.00 C ATOM 1047 O VAL A 68 0.123 14.264 -3.687 1.00 0.00 O ATOM 1048 CB VAL A 68 0.965 12.102 -1.518 1.00 0.00 C ATOM 1049 CG1 VAL A 68 0.754 13.488 -0.932 1.00 0.00 C ATOM 1050 CG2 VAL A 68 -0.106 11.128 -1.050 1.00 0.00 C ATOM 0 H VAL A 68 2.540 13.354 -3.766 1.00 0.00 H new ATOM 0 HA VAL A 68 0.763 11.084 -3.358 1.00 0.00 H new ATOM 0 HB VAL A 68 1.938 11.774 -1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.734 13.424 0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.569 14.142 -1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.193 13.894 -1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.140 11.120 0.039 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.075 11.438 -1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.129 10.127 -1.413 1.00 0.00 H new ATOM 1060 N GLN A 69 -1.080 12.432 -4.155 1.00 0.00 N ATOM 1061 CA GLN A 69 -2.125 13.113 -4.873 1.00 0.00 C ATOM 1062 C GLN A 69 -3.463 12.592 -4.431 1.00 0.00 C ATOM 1063 O GLN A 69 -3.653 11.373 -4.329 1.00 0.00 O ATOM 1064 CB GLN A 69 -1.944 12.870 -6.359 1.00 0.00 C ATOM 1065 CG GLN A 69 -0.844 13.710 -6.977 1.00 0.00 C ATOM 1066 CD GLN A 69 -1.046 15.192 -6.727 1.00 0.00 C ATOM 1067 OE1 GLN A 69 -2.175 15.677 -6.655 1.00 0.00 O ATOM 1068 NE2 GLN A 69 0.048 15.917 -6.575 1.00 0.00 N ATOM 0 H GLN A 69 -1.230 11.427 -4.072 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.076 14.183 -4.669 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.721 11.816 -6.523 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.883 13.081 -6.871 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.119 13.402 -6.569 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.808 13.526 -8.051 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.965 15.476 -6.642 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.025 16.918 -6.390 1.00 0.00 H new ATOM 1077 N ALA A 70 -4.412 13.505 -4.275 1.00 0.00 N ATOM 1078 CA ALA A 70 -5.649 13.190 -3.601 1.00 0.00 C ATOM 1079 C ALA A 70 -6.385 12.150 -4.401 1.00 0.00 C ATOM 1080 O ALA A 70 -6.652 12.359 -5.583 1.00 0.00 O ATOM 1081 CB ALA A 70 -6.515 14.424 -3.436 1.00 0.00 C ATOM 0 H ALA A 70 -4.342 14.467 -4.608 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.422 12.809 -2.605 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.439 14.154 -2.925 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.979 15.169 -2.847 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.750 14.837 -4.417 1.00 0.00 H new ATOM 1087 N PRO A 71 -6.771 11.059 -3.718 1.00 0.00 N ATOM 1088 CA PRO A 71 -7.073 9.759 -4.280 1.00 0.00 C ATOM 1089 C PRO A 71 -7.047 9.683 -5.800 1.00 0.00 C ATOM 1090 O PRO A 71 -8.058 9.465 -6.466 1.00 0.00 O ATOM 1091 CB PRO A 71 -8.427 9.540 -3.657 1.00 0.00 C ATOM 1092 CG PRO A 71 -8.186 9.956 -2.242 1.00 0.00 C ATOM 1093 CD PRO A 71 -7.094 11.016 -2.292 1.00 0.00 C ATOM 0 HA PRO A 71 -6.334 8.988 -4.064 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.199 10.144 -4.134 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.746 8.500 -3.728 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -9.096 10.355 -1.793 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.876 9.106 -1.634 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -7.445 11.980 -1.925 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.230 10.740 -1.687 1.00 0.00 H new ATOM 1101 N THR A 72 -5.848 9.891 -6.318 1.00 0.00 N ATOM 1102 CA THR A 72 -5.540 9.673 -7.708 1.00 0.00 C ATOM 1103 C THR A 72 -4.210 8.939 -7.816 1.00 0.00 C ATOM 1104 O THR A 72 -4.102 7.934 -8.518 1.00 0.00 O ATOM 1105 CB THR A 72 -5.476 11.001 -8.484 1.00 0.00 C ATOM 1106 OG1 THR A 72 -4.761 11.979 -7.717 1.00 0.00 O ATOM 1107 CG2 THR A 72 -6.872 11.517 -8.787 1.00 0.00 C ATOM 0 H THR A 72 -5.054 10.221 -5.770 1.00 0.00 H new ATOM 0 HA THR A 72 -6.334 9.071 -8.150 1.00 0.00 H new ATOM 0 HB THR A 72 -4.958 10.822 -9.426 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.321 12.284 -6.973 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.802 12.456 -9.336 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.408 10.784 -9.390 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.410 11.682 -7.853 1.00 0.00 H new ATOM 1115 N GLU A 73 -3.201 9.434 -7.094 1.00 0.00 N ATOM 1116 CA GLU A 73 -1.889 8.793 -7.097 1.00 0.00 C ATOM 1117 C GLU A 73 -1.257 8.904 -5.722 1.00 0.00 C ATOM 1118 O GLU A 73 -1.237 9.970 -5.121 1.00 0.00 O ATOM 1119 CB GLU A 73 -0.981 9.433 -8.146 1.00 0.00 C ATOM 1120 CG GLU A 73 0.277 8.627 -8.432 1.00 0.00 C ATOM 1121 CD GLU A 73 1.079 9.204 -9.580 1.00 0.00 C ATOM 1122 OE1 GLU A 73 0.744 8.915 -10.749 1.00 0.00 O ATOM 1123 OE2 GLU A 73 2.048 9.945 -9.326 1.00 0.00 O ATOM 0 H GLU A 73 -3.268 10.266 -6.508 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.016 7.740 -7.348 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.541 9.558 -9.073 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.696 10.430 -7.809 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.898 8.597 -7.537 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.002 7.598 -8.664 1.00 0.00 H new ATOM 1130 N LEU A 74 -0.755 7.803 -5.228 1.00 0.00 N ATOM 1131 CA LEU A 74 -0.035 7.790 -3.980 1.00 0.00 C ATOM 1132 C LEU A 74 1.241 7.024 -4.199 1.00 0.00 C ATOM 1133 O LEU A 74 1.190 5.900 -4.623 1.00 0.00 O ATOM 1134 CB LEU A 74 -0.931 7.099 -2.941 1.00 0.00 C ATOM 1135 CG LEU A 74 -0.389 6.913 -1.539 1.00 0.00 C ATOM 1136 CD1 LEU A 74 -1.540 6.707 -0.586 1.00 0.00 C ATOM 1137 CD2 LEU A 74 0.537 5.731 -1.457 1.00 0.00 C ATOM 0 H LEU A 74 -0.833 6.891 -5.678 1.00 0.00 H new ATOM 0 HA LEU A 74 0.212 8.791 -3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.856 7.670 -2.867 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.194 6.115 -3.330 1.00 0.00 H new ATOM 0 HG LEU A 74 0.175 7.806 -1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.156 6.572 0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.195 7.578 -0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.103 5.821 -0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.906 5.628 -0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.001 4.827 -1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.378 5.880 -2.134 1.00 0.00 H new ATOM 1149 N SER A 75 2.371 7.613 -3.908 1.00 0.00 N ATOM 1150 CA SER A 75 3.631 6.886 -4.031 1.00 0.00 C ATOM 1151 C SER A 75 4.525 7.187 -2.854 1.00 0.00 C ATOM 1152 O SER A 75 4.835 8.345 -2.600 1.00 0.00 O ATOM 1153 CB SER A 75 4.359 7.286 -5.309 1.00 0.00 C ATOM 1154 OG SER A 75 3.626 6.931 -6.467 1.00 0.00 O ATOM 0 H SER A 75 2.457 8.578 -3.588 1.00 0.00 H new ATOM 0 HA SER A 75 3.401 5.821 -4.060 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.534 8.362 -5.306 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.336 6.804 -5.336 1.00 0.00 H new ATOM 0 HG SER A 75 4.124 7.205 -7.266 1.00 0.00 H new ATOM 1160 N PHE A 76 4.943 6.166 -2.149 1.00 0.00 N ATOM 1161 CA PHE A 76 5.842 6.352 -1.037 1.00 0.00 C ATOM 1162 C PHE A 76 6.652 5.114 -0.796 1.00 0.00 C ATOM 1163 O PHE A 76 6.222 4.014 -1.128 1.00 0.00 O ATOM 1164 CB PHE A 76 5.061 6.845 0.176 1.00 0.00 C ATOM 1165 CG PHE A 76 4.263 5.803 0.924 1.00 0.00 C ATOM 1166 CD1 PHE A 76 3.088 5.261 0.407 1.00 0.00 C ATOM 1167 CD2 PHE A 76 4.698 5.365 2.160 1.00 0.00 C ATOM 1168 CE1 PHE A 76 2.381 4.308 1.118 1.00 0.00 C ATOM 1169 CE2 PHE A 76 3.998 4.416 2.869 1.00 0.00 C ATOM 1170 CZ PHE A 76 2.836 3.885 2.349 1.00 0.00 C ATOM 0 H PHE A 76 4.676 5.198 -2.325 1.00 0.00 H new ATOM 0 HA PHE A 76 6.573 7.128 -1.265 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.763 7.304 0.872 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.379 7.629 -0.152 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.726 5.588 -0.557 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.605 5.776 2.578 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.471 3.895 0.708 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.358 4.087 3.832 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.285 3.141 2.904 1.00 0.00 H new ATOM 1180 N GLU A 77 7.821 5.285 -0.218 1.00 0.00 N ATOM 1181 CA GLU A 77 8.712 4.168 -0.072 1.00 0.00 C ATOM 1182 C GLU A 77 8.973 3.917 1.391 1.00 0.00 C ATOM 1183 O GLU A 77 9.418 4.806 2.128 1.00 0.00 O ATOM 1184 CB GLU A 77 10.052 4.449 -0.761 1.00 0.00 C ATOM 1185 CG GLU A 77 9.963 5.073 -2.140 1.00 0.00 C ATOM 1186 CD GLU A 77 9.410 6.469 -2.101 1.00 0.00 C ATOM 1187 OE1 GLU A 77 10.078 7.342 -1.508 1.00 0.00 O ATOM 1188 OE2 GLU A 77 8.319 6.696 -2.642 1.00 0.00 O ATOM 0 H GLU A 77 8.167 6.171 0.150 1.00 0.00 H new ATOM 0 HA GLU A 77 8.244 3.297 -0.532 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.638 5.109 -0.121 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.602 3.512 -0.841 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.954 5.090 -2.593 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.332 4.453 -2.777 1.00 0.00 H new ATOM 1307 N VAL A 85 5.754 2.018 -3.035 1.00 0.00 N ATOM 1308 CA VAL A 85 4.440 1.456 -3.093 1.00 0.00 C ATOM 1309 C VAL A 85 3.426 2.544 -3.449 1.00 0.00 C ATOM 1310 O VAL A 85 3.293 3.551 -2.756 1.00 0.00 O ATOM 1311 CB VAL A 85 4.115 0.746 -1.761 1.00 0.00 C ATOM 1312 CG1 VAL A 85 4.946 -0.519 -1.642 1.00 0.00 C ATOM 1313 CG2 VAL A 85 4.404 1.642 -0.568 1.00 0.00 C ATOM 0 HA VAL A 85 4.387 0.701 -3.878 1.00 0.00 H new ATOM 0 HB VAL A 85 3.052 0.504 -1.762 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.715 -1.019 -0.701 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.715 -1.185 -2.473 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.005 -0.262 -1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.164 1.110 0.353 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.459 1.915 -0.565 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.796 2.544 -0.635 1.00 0.00 H new ATOM 1323 N THR A 86 2.733 2.335 -4.557 1.00 0.00 N ATOM 1324 CA THR A 86 1.917 3.369 -5.159 1.00 0.00 C ATOM 1325 C THR A 86 0.447 2.956 -5.244 1.00 0.00 C ATOM 1326 O THR A 86 0.121 1.827 -5.578 1.00 0.00 O ATOM 1327 CB THR A 86 2.449 3.713 -6.575 1.00 0.00 C ATOM 1328 OG1 THR A 86 3.800 4.186 -6.475 1.00 0.00 O ATOM 1329 CG2 THR A 86 1.586 4.772 -7.273 1.00 0.00 C ATOM 0 H THR A 86 2.722 1.448 -5.060 1.00 0.00 H new ATOM 0 HA THR A 86 1.980 4.250 -4.520 1.00 0.00 H new ATOM 0 HB THR A 86 2.408 2.804 -7.176 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.818 5.156 -6.613 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.996 4.982 -8.261 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.566 4.401 -7.374 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.582 5.687 -6.680 1.00 0.00 H new ATOM 1337 N PHE A 87 -0.444 3.870 -4.916 1.00 0.00 N ATOM 1338 CA PHE A 87 -1.867 3.603 -5.013 1.00 0.00 C ATOM 1339 C PHE A 87 -2.477 4.513 -6.069 1.00 0.00 C ATOM 1340 O PHE A 87 -2.223 5.713 -6.078 1.00 0.00 O ATOM 1341 CB PHE A 87 -2.543 3.804 -3.642 1.00 0.00 C ATOM 1342 CG PHE A 87 -1.941 2.939 -2.559 1.00 0.00 C ATOM 1343 CD1 PHE A 87 -1.408 1.702 -2.869 1.00 0.00 C ATOM 1344 CD2 PHE A 87 -1.866 3.374 -1.244 1.00 0.00 C ATOM 1345 CE1 PHE A 87 -0.809 0.917 -1.907 1.00 0.00 C ATOM 1346 CE2 PHE A 87 -1.274 2.589 -0.273 1.00 0.00 C ATOM 1347 CZ PHE A 87 -0.735 1.358 -0.613 1.00 0.00 C ATOM 0 H PHE A 87 -0.209 4.804 -4.580 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.027 2.567 -5.311 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.461 4.851 -3.352 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.606 3.580 -3.730 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.462 1.343 -3.886 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.275 4.337 -0.976 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.398 -0.045 -2.174 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.231 2.934 0.749 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.258 0.749 0.141 1.00 0.00 H new ATOM 1357 N GLN A 88 -3.264 3.942 -6.966 1.00 0.00 N ATOM 1358 CA GLN A 88 -3.914 4.719 -8.010 1.00 0.00 C ATOM 1359 C GLN A 88 -5.421 4.553 -7.943 1.00 0.00 C ATOM 1360 O GLN A 88 -5.949 3.444 -7.876 1.00 0.00 O ATOM 1361 CB GLN A 88 -3.372 4.338 -9.386 1.00 0.00 C ATOM 1362 CG GLN A 88 -2.166 5.161 -9.782 1.00 0.00 C ATOM 1363 CD GLN A 88 -1.701 4.888 -11.202 1.00 0.00 C ATOM 1364 OE1 GLN A 88 -1.853 3.780 -11.718 1.00 0.00 O ATOM 1365 NE2 GLN A 88 -1.137 5.897 -11.846 1.00 0.00 N ATOM 0 H GLN A 88 -3.469 2.943 -6.993 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.688 5.773 -7.846 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.103 3.282 -9.387 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.157 4.468 -10.131 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.407 6.219 -9.682 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.349 4.953 -9.092 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.029 6.800 -11.384 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.810 5.772 -12.804 1.00 0.00 H new ATOM 1374 N LEU A 89 -6.097 5.676 -7.930 1.00 0.00 N ATOM 1375 CA LEU A 89 -7.527 5.713 -7.678 1.00 0.00 C ATOM 1376 C LEU A 89 -8.318 6.352 -8.820 1.00 0.00 C ATOM 1377 O LEU A 89 -7.841 7.274 -9.482 1.00 0.00 O ATOM 1378 CB LEU A 89 -7.812 6.407 -6.350 1.00 0.00 C ATOM 1379 CG LEU A 89 -8.548 5.547 -5.321 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -8.892 6.374 -4.101 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -9.801 4.928 -5.921 1.00 0.00 C ATOM 0 H LEU A 89 -5.677 6.591 -8.093 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.869 4.680 -7.617 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.867 6.736 -5.918 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.403 7.302 -6.544 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.888 4.734 -5.019 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.416 5.752 -3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.976 6.761 -3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.532 7.206 -4.394 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.304 4.322 -5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.472 5.718 -6.258 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -9.526 4.299 -6.768 1.00 0.00 H new ATOM 1393 N GLU A 90 -9.518 5.835 -9.054 1.00 0.00 N ATOM 1394 CA GLU A 90 -10.435 6.406 -10.026 1.00 0.00 C ATOM 1395 C GLU A 90 -11.595 7.044 -9.284 1.00 0.00 C ATOM 1396 O GLU A 90 -12.311 6.369 -8.536 1.00 0.00 O ATOM 1397 CB GLU A 90 -10.945 5.286 -10.953 1.00 0.00 C ATOM 1398 CG GLU A 90 -12.421 5.382 -11.370 1.00 0.00 C ATOM 1399 CD GLU A 90 -12.884 4.141 -12.108 1.00 0.00 C ATOM 1400 OE1 GLU A 90 -12.216 3.744 -13.084 1.00 0.00 O ATOM 1401 OE2 GLU A 90 -13.912 3.551 -11.711 1.00 0.00 O ATOM 0 H GLU A 90 -9.880 5.010 -8.575 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.932 7.163 -10.628 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -10.332 5.279 -11.854 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -10.789 4.329 -10.455 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -13.039 5.529 -10.484 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.562 6.256 -12.006 1.00 0.00 H new ATOM 1408 N ASP A 91 -11.768 8.348 -9.495 1.00 0.00 N ATOM 1409 CA ASP A 91 -12.824 9.096 -8.828 1.00 0.00 C ATOM 1410 C ASP A 91 -14.044 9.184 -9.691 1.00 0.00 C ATOM 1411 O ASP A 91 -14.051 9.837 -10.737 1.00 0.00 O ATOM 1412 CB ASP A 91 -12.392 10.514 -8.451 1.00 0.00 C ATOM 1413 CG ASP A 91 -13.575 11.428 -8.186 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -14.408 11.102 -7.323 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -13.678 12.483 -8.849 1.00 0.00 O ATOM 0 H ASP A 91 -11.189 8.905 -10.123 1.00 0.00 H new ATOM 0 HA ASP A 91 -13.048 8.548 -7.913 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.761 10.475 -7.563 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -11.786 10.932 -9.255 1.00 0.00 H new ATOM 1461 N LYS A 95 -18.619 4.803 -8.181 1.00 0.00 N ATOM 1462 CA LYS A 95 -17.838 4.122 -7.200 1.00 0.00 C ATOM 1463 C LYS A 95 -16.397 4.201 -7.671 1.00 0.00 C ATOM 1464 O LYS A 95 -16.125 4.825 -8.696 1.00 0.00 O ATOM 1465 CB LYS A 95 -18.290 2.665 -7.170 1.00 0.00 C ATOM 1466 CG LYS A 95 -18.294 2.004 -8.556 1.00 0.00 C ATOM 1467 CD LYS A 95 -16.956 1.371 -8.915 1.00 0.00 C ATOM 1468 CE LYS A 95 -16.158 2.200 -9.930 1.00 0.00 C ATOM 1469 NZ LYS A 95 -16.623 2.013 -11.332 1.00 0.00 N ATOM 0 HA LYS A 95 -17.945 4.555 -6.205 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -17.633 2.101 -6.508 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -19.293 2.611 -6.746 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -19.071 1.240 -8.586 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -18.551 2.750 -9.308 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -16.363 1.247 -8.009 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -17.128 0.375 -9.322 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -16.232 3.255 -9.667 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -15.104 1.928 -9.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -15.938 2.445 -11.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -16.705 0.997 -11.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -17.551 2.467 -11.453 1.00 0.00 H new ATOM 1483 N THR A 96 -15.469 3.619 -6.954 1.00 0.00 N ATOM 1484 CA THR A 96 -14.091 3.988 -7.119 1.00 0.00 C ATOM 1485 C THR A 96 -13.321 2.860 -7.757 1.00 0.00 C ATOM 1486 O THR A 96 -13.371 1.718 -7.314 1.00 0.00 O ATOM 1487 CB THR A 96 -13.480 4.319 -5.747 1.00 0.00 C ATOM 1488 OG1 THR A 96 -14.357 3.864 -4.718 1.00 0.00 O ATOM 1489 CG2 THR A 96 -13.244 5.811 -5.577 1.00 0.00 C ATOM 0 H THR A 96 -15.643 2.895 -6.257 1.00 0.00 H new ATOM 0 HA THR A 96 -14.034 4.863 -7.766 1.00 0.00 H new ATOM 0 HB THR A 96 -12.516 3.815 -5.681 1.00 0.00 H new ATOM 0 HG1 THR A 96 -14.384 4.525 -3.995 1.00 0.00 H new ATOM 0 HG21 THR A 96 -12.812 6.001 -4.595 1.00 0.00 H new ATOM 0 HG22 THR A 96 -12.559 6.161 -6.349 1.00 0.00 H new ATOM 0 HG23 THR A 96 -14.192 6.342 -5.665 1.00 0.00 H new ATOM 1497 N GLY A 97 -12.608 3.177 -8.807 1.00 0.00 N ATOM 1498 CA GLY A 97 -11.860 2.145 -9.486 1.00 0.00 C ATOM 1499 C GLY A 97 -10.449 2.118 -8.992 1.00 0.00 C ATOM 1500 O GLY A 97 -9.711 3.087 -9.139 1.00 0.00 O ATOM 0 H GLY A 97 -12.528 4.113 -9.204 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.330 1.176 -9.319 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -11.873 2.324 -10.561 1.00 0.00 H new ATOM 1504 N PHE A 98 -10.063 1.022 -8.383 1.00 0.00 N ATOM 1505 CA PHE A 98 -8.793 1.002 -7.707 1.00 0.00 C ATOM 1506 C PHE A 98 -7.743 0.252 -8.498 1.00 0.00 C ATOM 1507 O PHE A 98 -7.932 -0.894 -8.908 1.00 0.00 O ATOM 1508 CB PHE A 98 -8.879 0.415 -6.303 1.00 0.00 C ATOM 1509 CG PHE A 98 -7.687 0.831 -5.491 1.00 0.00 C ATOM 1510 CD1 PHE A 98 -7.605 2.123 -4.994 1.00 0.00 C ATOM 1511 CD2 PHE A 98 -6.639 -0.037 -5.256 1.00 0.00 C ATOM 1512 CE1 PHE A 98 -6.504 2.539 -4.275 1.00 0.00 C ATOM 1513 CE2 PHE A 98 -5.537 0.374 -4.533 1.00 0.00 C ATOM 1514 CZ PHE A 98 -5.469 1.660 -4.042 1.00 0.00 C ATOM 0 H PHE A 98 -10.596 0.154 -8.342 1.00 0.00 H new ATOM 0 HA PHE A 98 -8.497 2.048 -7.621 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -9.794 0.751 -5.816 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -8.928 -0.672 -6.358 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -8.416 2.814 -5.173 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.682 -1.045 -5.641 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -6.453 3.549 -3.896 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -4.725 -0.315 -4.351 1.00 0.00 H new ATOM 0 HZ PHE A 98 -4.606 1.978 -3.476 1.00 0.00 H new ATOM 1524 N THR A 99 -6.637 0.926 -8.714 1.00 0.00 N ATOM 1525 CA THR A 99 -5.483 0.328 -9.342 1.00 0.00 C ATOM 1526 C THR A 99 -4.302 0.474 -8.410 1.00 0.00 C ATOM 1527 O THR A 99 -3.872 1.581 -8.116 1.00 0.00 O ATOM 1528 CB THR A 99 -5.170 1.006 -10.688 1.00 0.00 C ATOM 1529 OG1 THR A 99 -6.364 1.081 -11.480 1.00 0.00 O ATOM 1530 CG2 THR A 99 -4.109 0.229 -11.448 1.00 0.00 C ATOM 0 H THR A 99 -6.513 1.906 -8.459 1.00 0.00 H new ATOM 0 HA THR A 99 -5.688 -0.724 -9.538 1.00 0.00 H new ATOM 0 HB THR A 99 -4.794 2.010 -10.490 1.00 0.00 H new ATOM 0 HG1 THR A 99 -6.162 1.515 -12.335 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.903 0.726 -12.396 1.00 0.00 H new ATOM 0 HG22 THR A 99 -3.195 0.186 -10.855 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.466 -0.783 -11.639 1.00 0.00 H new ATOM 1538 N LEU A 100 -3.776 -0.620 -7.925 1.00 0.00 N ATOM 1539 CA LEU A 100 -2.698 -0.521 -6.986 1.00 0.00 C ATOM 1540 C LEU A 100 -1.386 -0.935 -7.599 1.00 0.00 C ATOM 1541 O LEU A 100 -1.310 -1.884 -8.371 1.00 0.00 O ATOM 1542 CB LEU A 100 -2.989 -1.336 -5.737 1.00 0.00 C ATOM 1543 CG LEU A 100 -2.184 -0.903 -4.517 1.00 0.00 C ATOM 1544 CD1 LEU A 100 -2.925 -1.246 -3.250 1.00 0.00 C ATOM 1545 CD2 LEU A 100 -0.804 -1.529 -4.512 1.00 0.00 C ATOM 0 H LEU A 100 -4.070 -1.568 -8.160 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.611 0.527 -6.700 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.051 -1.261 -5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.782 -2.386 -5.943 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.057 0.178 -4.568 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.337 -0.931 -2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.887 -0.733 -3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.088 -2.323 -3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.258 -1.199 -3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.897 -2.615 -4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.263 -1.224 -5.408 1.00 0.00 H new ATOM 1557 N ILE A 101 -0.358 -0.202 -7.236 1.00 0.00 N ATOM 1558 CA ILE A 101 0.979 -0.458 -7.697 1.00 0.00 C ATOM 1559 C ILE A 101 1.876 -0.730 -6.492 1.00 0.00 C ATOM 1560 O ILE A 101 1.923 0.048 -5.556 1.00 0.00 O ATOM 1561 CB ILE A 101 1.568 0.770 -8.448 1.00 0.00 C ATOM 1562 CG1 ILE A 101 0.531 1.438 -9.387 1.00 0.00 C ATOM 1563 CG2 ILE A 101 2.821 0.369 -9.226 1.00 0.00 C ATOM 1564 CD1 ILE A 101 -0.436 2.366 -8.684 1.00 0.00 C ATOM 0 H ILE A 101 -0.432 0.596 -6.605 1.00 0.00 H new ATOM 0 HA ILE A 101 0.940 -1.311 -8.375 1.00 0.00 H new ATOM 0 HB ILE A 101 1.839 1.510 -7.695 1.00 0.00 H new ATOM 0 HG12 ILE A 101 1.062 2.000 -10.155 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -0.036 0.659 -9.896 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.221 1.240 -9.746 1.00 0.00 H new ATOM 0 HG22 ILE A 101 3.570 -0.017 -8.535 1.00 0.00 H new ATOM 0 HG23 ILE A 101 2.567 -0.402 -9.953 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.127 2.791 -9.412 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -0.997 1.807 -7.935 1.00 0.00 H new ATOM 0 HD13 ILE A 101 0.118 3.169 -8.198 1.00 0.00 H new ATOM 1576 N HIS A 102 2.564 -1.831 -6.481 1.00 0.00 N ATOM 1577 CA HIS A 102 3.640 -2.001 -5.534 1.00 0.00 C ATOM 1578 C HIS A 102 4.899 -2.174 -6.339 1.00 0.00 C ATOM 1579 O HIS A 102 5.087 -3.173 -7.022 1.00 0.00 O ATOM 1580 CB HIS A 102 3.379 -3.193 -4.611 1.00 0.00 C ATOM 1581 CG HIS A 102 2.727 -2.822 -3.303 1.00 0.00 C ATOM 1582 ND1 HIS A 102 2.859 -3.596 -2.169 1.00 0.00 N ATOM 1583 CD2 HIS A 102 1.963 -1.749 -2.932 1.00 0.00 C ATOM 1584 CE1 HIS A 102 2.224 -3.023 -1.165 1.00 0.00 C ATOM 1585 NE2 HIS A 102 1.675 -1.904 -1.600 1.00 0.00 N ATOM 0 H HIS A 102 2.408 -2.621 -7.107 1.00 0.00 H new ATOM 0 HA HIS A 102 3.728 -1.135 -4.878 1.00 0.00 H new ATOM 0 HB2 HIS A 102 2.745 -3.911 -5.131 1.00 0.00 H new ATOM 0 HB3 HIS A 102 4.325 -3.694 -4.405 1.00 0.00 H new ATOM 0 HD1 HIS A 102 3.370 -4.477 -2.115 1.00 0.00 H new ATOM 0 HD2 HIS A 102 1.647 -0.935 -3.567 1.00 0.00 H new ATOM 0 HE1 HIS A 102 2.163 -3.405 -0.157 1.00 0.00 H new ATOM 1881 N VAL A 122 8.269 -11.058 -2.440 1.00 0.00 N ATOM 1882 CA VAL A 122 7.517 -9.897 -1.999 1.00 0.00 C ATOM 1883 C VAL A 122 6.466 -9.499 -3.032 1.00 0.00 C ATOM 1884 O VAL A 122 5.324 -9.177 -2.688 1.00 0.00 O ATOM 1885 CB VAL A 122 8.442 -8.713 -1.684 1.00 0.00 C ATOM 1886 CG1 VAL A 122 9.195 -8.276 -2.915 1.00 0.00 C ATOM 1887 CG2 VAL A 122 7.652 -7.563 -1.087 1.00 0.00 C ATOM 0 HA VAL A 122 7.004 -10.173 -1.078 1.00 0.00 H new ATOM 0 HB VAL A 122 9.175 -9.038 -0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 122 9.843 -7.436 -2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 122 9.800 -9.104 -3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 122 8.487 -7.972 -3.686 1.00 0.00 H new ATOM 0 HG21 VAL A 122 8.325 -6.733 -0.870 1.00 0.00 H new ATOM 0 HG22 VAL A 122 6.891 -7.238 -1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 122 7.172 -7.891 -0.165 1.00 0.00 H new ATOM 1897 N ARG A 123 6.841 -9.539 -4.301 1.00 0.00 N ATOM 1898 CA ARG A 123 5.886 -9.279 -5.361 1.00 0.00 C ATOM 1899 C ARG A 123 4.824 -10.378 -5.361 1.00 0.00 C ATOM 1900 O ARG A 123 3.664 -10.141 -5.686 1.00 0.00 O ATOM 1901 CB ARG A 123 6.586 -9.185 -6.719 1.00 0.00 C ATOM 1902 CG ARG A 123 7.243 -10.481 -7.151 1.00 0.00 C ATOM 1903 CD ARG A 123 7.663 -10.468 -8.606 1.00 0.00 C ATOM 1904 NE ARG A 123 8.299 -11.733 -8.982 1.00 0.00 N ATOM 1905 CZ ARG A 123 8.107 -12.355 -10.142 1.00 0.00 C ATOM 1906 NH1 ARG A 123 7.262 -11.864 -11.036 1.00 0.00 N ATOM 1907 NH2 ARG A 123 8.743 -13.491 -10.393 1.00 0.00 N ATOM 0 H ARG A 123 7.788 -9.746 -4.617 1.00 0.00 H new ATOM 0 HA ARG A 123 5.403 -8.318 -5.182 1.00 0.00 H new ATOM 0 HB2 ARG A 123 5.859 -8.886 -7.474 1.00 0.00 H new ATOM 0 HB3 ARG A 123 7.341 -8.400 -6.676 1.00 0.00 H new ATOM 0 HG2 ARG A 123 8.117 -10.666 -6.527 1.00 0.00 H new ATOM 0 HG3 ARG A 123 6.552 -11.307 -6.984 1.00 0.00 H new ATOM 0 HD2 ARG A 123 6.792 -10.293 -9.238 1.00 0.00 H new ATOM 0 HD3 ARG A 123 8.354 -9.644 -8.781 1.00 0.00 H new ATOM 0 HE ARG A 123 8.932 -12.166 -8.309 1.00 0.00 H new ATOM 0 HH11 ARG A 123 6.753 -11.003 -10.837 1.00 0.00 H new ATOM 0 HH12 ARG A 123 7.120 -12.347 -11.923 1.00 0.00 H new ATOM 0 HH21 ARG A 123 9.377 -13.885 -9.698 1.00 0.00 H new ATOM 0 HH22 ARG A 123 8.598 -13.971 -11.281 1.00 0.00 H new ATOM 1921 N GLY A 124 5.236 -11.571 -4.941 1.00 0.00 N ATOM 1922 CA GLY A 124 4.319 -12.693 -4.828 1.00 0.00 C ATOM 1923 C GLY A 124 3.347 -12.518 -3.675 1.00 0.00 C ATOM 1924 O GLY A 124 2.192 -12.959 -3.747 1.00 0.00 O ATOM 0 H GLY A 124 6.198 -11.782 -4.675 1.00 0.00 H new ATOM 0 HA2 GLY A 124 3.762 -12.801 -5.759 1.00 0.00 H new ATOM 0 HA3 GLY A 124 4.887 -13.613 -4.687 1.00 0.00 H new ATOM 1928 N LYS A 125 3.803 -11.829 -2.630 1.00 0.00 N ATOM 1929 CA LYS A 125 2.968 -11.523 -1.482 1.00 0.00 C ATOM 1930 C LYS A 125 1.791 -10.718 -1.942 1.00 0.00 C ATOM 1931 O LYS A 125 0.648 -10.943 -1.548 1.00 0.00 O ATOM 1932 CB LYS A 125 3.746 -10.667 -0.496 1.00 0.00 C ATOM 1933 CG LYS A 125 5.090 -11.248 -0.128 1.00 0.00 C ATOM 1934 CD LYS A 125 5.815 -10.397 0.909 1.00 0.00 C ATOM 1935 CE LYS A 125 4.994 -10.221 2.180 1.00 0.00 C ATOM 1936 NZ LYS A 125 4.888 -11.479 2.966 1.00 0.00 N ATOM 0 H LYS A 125 4.756 -11.472 -2.560 1.00 0.00 H new ATOM 0 HA LYS A 125 2.653 -12.455 -1.012 1.00 0.00 H new ATOM 0 HB2 LYS A 125 3.892 -9.675 -0.924 1.00 0.00 H new ATOM 0 HB3 LYS A 125 3.153 -10.539 0.410 1.00 0.00 H new ATOM 0 HG2 LYS A 125 4.955 -12.257 0.261 1.00 0.00 H new ATOM 0 HG3 LYS A 125 5.706 -11.332 -1.023 1.00 0.00 H new ATOM 0 HD2 LYS A 125 6.770 -10.862 1.156 1.00 0.00 H new ATOM 0 HD3 LYS A 125 6.038 -9.419 0.483 1.00 0.00 H new ATOM 0 HE2 LYS A 125 5.448 -9.447 2.798 1.00 0.00 H new ATOM 0 HE3 LYS A 125 3.994 -9.874 1.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 4.320 -11.308 3.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 4.430 -12.212 2.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 5.839 -11.798 3.240 1.00 0.00 H new ATOM 1950 N MET A 126 2.100 -9.789 -2.811 1.00 0.00 N ATOM 1951 CA MET A 126 1.103 -8.914 -3.358 1.00 0.00 C ATOM 1952 C MET A 126 0.324 -9.639 -4.437 1.00 0.00 C ATOM 1953 O MET A 126 -0.853 -9.366 -4.670 1.00 0.00 O ATOM 1954 CB MET A 126 1.775 -7.673 -3.936 1.00 0.00 C ATOM 1955 CG MET A 126 2.948 -7.190 -3.101 1.00 0.00 C ATOM 1956 SD MET A 126 2.474 -6.728 -1.423 1.00 0.00 S ATOM 1957 CE MET A 126 4.078 -6.562 -0.648 1.00 0.00 C ATOM 0 H MET A 126 3.045 -9.621 -3.156 1.00 0.00 H new ATOM 0 HA MET A 126 0.414 -8.610 -2.571 1.00 0.00 H new ATOM 0 HB2 MET A 126 2.121 -7.891 -4.946 1.00 0.00 H new ATOM 0 HB3 MET A 126 1.040 -6.873 -4.017 1.00 0.00 H new ATOM 0 HG2 MET A 126 3.703 -7.975 -3.057 1.00 0.00 H new ATOM 0 HG3 MET A 126 3.408 -6.333 -3.592 1.00 0.00 H new ATOM 0 HE1 MET A 126 4.028 -5.803 0.133 1.00 0.00 H new ATOM 0 HE2 MET A 126 4.371 -7.516 -0.209 1.00 0.00 H new ATOM 0 HE3 MET A 126 4.814 -6.265 -1.395 1.00 0.00 H new ATOM 1967 N ASP A 127 0.953 -10.628 -5.038 1.00 0.00 N ATOM 1968 CA ASP A 127 0.399 -11.223 -6.239 1.00 0.00 C ATOM 1969 C ASP A 127 -0.738 -12.178 -5.897 1.00 0.00 C ATOM 1970 O ASP A 127 -1.525 -12.565 -6.763 1.00 0.00 O ATOM 1971 CB ASP A 127 1.494 -11.946 -7.018 1.00 0.00 C ATOM 1972 CG ASP A 127 1.080 -12.229 -8.446 1.00 0.00 C ATOM 1973 OD1 ASP A 127 0.370 -11.388 -9.036 1.00 0.00 O ATOM 1974 OD2 ASP A 127 1.468 -13.286 -8.985 1.00 0.00 O ATOM 0 H ASP A 127 1.834 -11.033 -4.722 1.00 0.00 H new ATOM 0 HA ASP A 127 -0.008 -10.428 -6.863 1.00 0.00 H new ATOM 0 HB2 ASP A 127 2.400 -11.341 -7.016 1.00 0.00 H new ATOM 0 HB3 ASP A 127 1.736 -12.884 -6.518 1.00 0.00 H new ATOM 1979 N GLY A 128 -0.845 -12.525 -4.625 1.00 0.00 N ATOM 1980 CA GLY A 128 -2.025 -13.238 -4.155 1.00 0.00 C ATOM 1981 C GLY A 128 -2.697 -12.546 -2.976 1.00 0.00 C ATOM 1982 O GLY A 128 -3.904 -12.218 -3.006 1.00 0.00 O ATOM 0 H GLY A 128 -0.144 -12.330 -3.910 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -2.739 -13.329 -4.973 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -1.742 -14.250 -3.864 1.00 0.00 H new ATOM 1986 N GLY A 129 -1.908 -12.287 -1.947 1.00 0.00 N ATOM 1987 CA GLY A 129 -2.448 -11.765 -0.719 1.00 0.00 C ATOM 1988 C GLY A 129 -2.951 -10.353 -0.866 1.00 0.00 C ATOM 1989 O GLY A 129 -3.877 -9.949 -0.170 1.00 0.00 O ATOM 0 H GLY A 129 -0.898 -12.431 -1.944 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -3.264 -12.405 -0.383 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -1.680 -11.795 0.054 1.00 0.00 H new ATOM 1993 N TRP A 130 -2.378 -9.608 -1.803 1.00 0.00 N ATOM 1994 CA TRP A 130 -2.675 -8.197 -1.906 1.00 0.00 C ATOM 1995 C TRP A 130 -4.066 -7.969 -2.469 1.00 0.00 C ATOM 1996 O TRP A 130 -4.683 -6.980 -2.150 1.00 0.00 O ATOM 1997 CB TRP A 130 -1.654 -7.517 -2.779 1.00 0.00 C ATOM 1998 CG TRP A 130 -1.565 -6.055 -2.630 1.00 0.00 C ATOM 1999 CD1 TRP A 130 -1.612 -5.175 -3.651 1.00 0.00 C ATOM 2000 CD2 TRP A 130 -1.393 -5.289 -1.429 1.00 0.00 C ATOM 2001 NE1 TRP A 130 -1.502 -3.916 -3.176 1.00 0.00 N ATOM 2002 CE2 TRP A 130 -1.363 -3.945 -1.824 1.00 0.00 C ATOM 2003 CE3 TRP A 130 -1.270 -5.590 -0.068 1.00 0.00 C ATOM 2004 CZ2 TRP A 130 -1.212 -2.899 -0.928 1.00 0.00 C ATOM 2005 CZ3 TRP A 130 -1.118 -4.545 0.829 1.00 0.00 C ATOM 2006 CH2 TRP A 130 -1.090 -3.212 0.389 1.00 0.00 C ATOM 0 H TRP A 130 -1.713 -9.958 -2.493 1.00 0.00 H new ATOM 0 HA TRP A 130 -2.638 -7.770 -0.904 1.00 0.00 H new ATOM 0 HB2 TRP A 130 -0.675 -7.947 -2.565 1.00 0.00 H new ATOM 0 HB3 TRP A 130 -1.882 -7.745 -3.820 1.00 0.00 H new ATOM 0 HD1 TRP A 130 -1.721 -5.438 -4.693 1.00 0.00 H new ATOM 0 HE1 TRP A 130 -1.520 -3.070 -3.746 1.00 0.00 H new ATOM 0 HE3 TRP A 130 -1.293 -6.614 0.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 -1.192 -1.873 -1.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 -1.020 -4.759 1.883 1.00 0.00 H new ATOM 0 HH2 TRP A 130 -0.969 -2.419 1.112 1.00 0.00 H new ATOM 2017 N THR A 131 -4.568 -8.854 -3.319 1.00 0.00 N ATOM 2018 CA THR A 131 -5.952 -8.733 -3.726 1.00 0.00 C ATOM 2019 C THR A 131 -6.865 -9.079 -2.564 1.00 0.00 C ATOM 2020 O THR A 131 -7.869 -8.434 -2.353 1.00 0.00 O ATOM 2021 CB THR A 131 -6.311 -9.579 -4.956 1.00 0.00 C ATOM 2022 OG1 THR A 131 -5.544 -10.792 -4.971 1.00 0.00 O ATOM 2023 CG2 THR A 131 -6.066 -8.793 -6.235 1.00 0.00 C ATOM 0 H THR A 131 -4.055 -9.636 -3.726 1.00 0.00 H new ATOM 0 HA THR A 131 -6.097 -7.694 -4.022 1.00 0.00 H new ATOM 0 HB THR A 131 -7.370 -9.833 -4.899 1.00 0.00 H new ATOM 0 HG1 THR A 131 -5.785 -11.322 -5.760 1.00 0.00 H new ATOM 0 HG21 THR A 131 -6.326 -9.409 -7.096 1.00 0.00 H new ATOM 0 HG22 THR A 131 -6.682 -7.894 -6.233 1.00 0.00 H new ATOM 0 HG23 THR A 131 -5.014 -8.513 -6.294 1.00 0.00 H new ATOM 2031 N GLY A 132 -6.525 -10.076 -1.788 1.00 0.00 N ATOM 2032 CA GLY A 132 -7.243 -10.252 -0.548 1.00 0.00 C ATOM 2033 C GLY A 132 -7.303 -8.949 0.235 1.00 0.00 C ATOM 2034 O GLY A 132 -8.379 -8.471 0.594 1.00 0.00 O ATOM 0 H GLY A 132 -5.787 -10.754 -1.978 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -8.254 -10.603 -0.755 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -6.756 -11.020 0.053 1.00 0.00 H new ATOM 2038 N ILE A 133 -6.157 -8.319 0.412 1.00 0.00 N ATOM 2039 CA ILE A 133 -6.081 -7.119 1.222 1.00 0.00 C ATOM 2040 C ILE A 133 -6.697 -5.899 0.513 1.00 0.00 C ATOM 2041 O ILE A 133 -7.615 -5.278 1.028 1.00 0.00 O ATOM 2042 CB ILE A 133 -4.604 -6.821 1.557 1.00 0.00 C ATOM 2043 CG1 ILE A 133 -3.923 -8.060 2.150 1.00 0.00 C ATOM 2044 CG2 ILE A 133 -4.478 -5.645 2.502 1.00 0.00 C ATOM 2045 CD1 ILE A 133 -4.679 -8.694 3.300 1.00 0.00 C ATOM 0 H ILE A 133 -5.269 -8.617 0.007 1.00 0.00 H new ATOM 0 HA ILE A 133 -6.653 -7.298 2.132 1.00 0.00 H new ATOM 0 HB ILE A 133 -4.101 -6.558 0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -3.794 -8.802 1.362 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -2.926 -7.783 2.494 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -3.425 -5.462 2.717 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -4.913 -4.759 2.040 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -5.005 -5.866 3.430 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -4.130 -9.563 3.661 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -4.786 -7.970 4.108 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -5.666 -9.005 2.959 1.00 0.00 H new ATOM 2057 N VAL A 134 -6.232 -5.586 -0.680 1.00 0.00 N ATOM 2058 CA VAL A 134 -6.724 -4.430 -1.416 1.00 0.00 C ATOM 2059 C VAL A 134 -7.997 -4.730 -2.185 1.00 0.00 C ATOM 2060 O VAL A 134 -8.962 -3.983 -2.128 1.00 0.00 O ATOM 2061 CB VAL A 134 -5.639 -3.884 -2.365 1.00 0.00 C ATOM 2062 CG1 VAL A 134 -5.597 -4.579 -3.683 1.00 0.00 C ATOM 2063 CG2 VAL A 134 -5.833 -2.411 -2.584 1.00 0.00 C ATOM 0 H VAL A 134 -5.510 -6.117 -1.166 1.00 0.00 H new ATOM 0 HA VAL A 134 -6.967 -3.667 -0.677 1.00 0.00 H new ATOM 0 HB VAL A 134 -4.685 -4.074 -1.874 1.00 0.00 H new ATOM 0 HG11 VAL A 134 -4.811 -4.143 -4.299 1.00 0.00 H new ATOM 0 HG12 VAL A 134 -5.392 -5.639 -3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 134 -6.557 -4.464 -4.186 1.00 0.00 H new ATOM 0 HG21 VAL A 134 -5.060 -2.038 -3.256 1.00 0.00 H new ATOM 0 HG22 VAL A 134 -6.814 -2.235 -3.026 1.00 0.00 H new ATOM 0 HG23 VAL A 134 -5.766 -1.889 -1.629 1.00 0.00 H new ATOM 2073 N ASN A 135 -8.034 -5.852 -2.848 1.00 0.00 N ATOM 2074 CA ASN A 135 -9.175 -6.156 -3.695 1.00 0.00 C ATOM 2075 C ASN A 135 -10.369 -6.446 -2.821 1.00 0.00 C ATOM 2076 O ASN A 135 -11.475 -5.976 -3.075 1.00 0.00 O ATOM 2077 CB ASN A 135 -8.879 -7.356 -4.601 1.00 0.00 C ATOM 2078 CG ASN A 135 -10.045 -7.804 -5.474 1.00 0.00 C ATOM 2079 OD1 ASN A 135 -10.197 -7.362 -6.610 1.00 0.00 O ATOM 2080 ND2 ASN A 135 -10.857 -8.713 -4.957 1.00 0.00 N ATOM 0 H ASN A 135 -7.306 -6.566 -2.826 1.00 0.00 H new ATOM 0 HA ASN A 135 -9.384 -5.298 -4.334 1.00 0.00 H new ATOM 0 HB2 ASN A 135 -8.036 -7.107 -5.246 1.00 0.00 H new ATOM 0 HB3 ASN A 135 -8.567 -8.195 -3.978 1.00 0.00 H new ATOM 0 HD21 ASN A 135 -11.640 -9.069 -5.506 1.00 0.00 H new ATOM 0 HD22 ASN A 135 -10.700 -9.057 -4.010 1.00 0.00 H new ATOM 2087 N GLU A 136 -10.143 -7.168 -1.742 1.00 0.00 N ATOM 2088 CA GLU A 136 -11.241 -7.574 -0.947 1.00 0.00 C ATOM 2089 C GLU A 136 -11.454 -6.625 0.229 1.00 0.00 C ATOM 2090 O GLU A 136 -12.571 -6.164 0.465 1.00 0.00 O ATOM 2091 CB GLU A 136 -10.962 -8.993 -0.475 1.00 0.00 C ATOM 2092 CG GLU A 136 -12.112 -9.575 0.320 1.00 0.00 C ATOM 2093 CD GLU A 136 -11.865 -10.992 0.780 1.00 0.00 C ATOM 2094 OE1 GLU A 136 -12.042 -11.926 -0.029 1.00 0.00 O ATOM 2095 OE2 GLU A 136 -11.508 -11.174 1.958 1.00 0.00 O ATOM 0 H GLU A 136 -9.225 -7.471 -1.416 1.00 0.00 H new ATOM 0 HA GLU A 136 -12.162 -7.547 -1.530 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -10.763 -9.628 -1.339 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -10.061 -8.998 0.138 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -12.298 -8.945 1.190 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -13.015 -9.551 -0.290 1.00 0.00 H new ATOM 2102 N ARG A 137 -10.379 -6.280 0.926 1.00 0.00 N ATOM 2103 CA ARG A 137 -10.481 -5.438 2.104 1.00 0.00 C ATOM 2104 C ARG A 137 -10.501 -3.957 1.788 1.00 0.00 C ATOM 2105 O ARG A 137 -11.094 -3.207 2.523 1.00 0.00 O ATOM 2106 CB ARG A 137 -9.433 -5.788 3.149 1.00 0.00 C ATOM 2107 CG ARG A 137 -9.098 -4.655 4.124 1.00 0.00 C ATOM 2108 CD ARG A 137 -10.272 -4.270 5.030 1.00 0.00 C ATOM 2109 NE ARG A 137 -10.688 -5.376 5.900 1.00 0.00 N ATOM 2110 CZ ARG A 137 -11.838 -5.408 6.584 1.00 0.00 C ATOM 2111 NH1 ARG A 137 -12.653 -4.359 6.581 1.00 0.00 N ATOM 2112 NH2 ARG A 137 -12.154 -6.481 7.294 1.00 0.00 N ATOM 0 H ARG A 137 -9.429 -6.571 0.694 1.00 0.00 H new ATOM 0 HA ARG A 137 -11.456 -5.657 2.539 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -9.782 -6.649 3.720 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -8.519 -6.093 2.639 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -8.253 -4.956 4.744 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -8.782 -3.779 3.558 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -9.990 -3.414 5.643 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -11.116 -3.957 4.415 1.00 0.00 H new ATOM 0 HE ARG A 137 -10.059 -6.174 5.989 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -12.404 -3.521 6.055 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -13.528 -4.391 7.105 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -11.521 -7.281 7.319 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -13.030 -6.507 7.816 1.00 0.00 H new ATOM 2126 N LEU A 138 -9.848 -3.499 0.742 1.00 0.00 N ATOM 2127 CA LEU A 138 -9.936 -2.084 0.444 1.00 0.00 C ATOM 2128 C LEU A 138 -11.377 -1.769 0.125 1.00 0.00 C ATOM 2129 O LEU A 138 -11.905 -0.766 0.585 1.00 0.00 O ATOM 2130 CB LEU A 138 -8.990 -1.690 -0.684 1.00 0.00 C ATOM 2131 CG LEU A 138 -8.905 -0.211 -1.021 1.00 0.00 C ATOM 2132 CD1 LEU A 138 -8.590 0.639 0.194 1.00 0.00 C ATOM 2133 CD2 LEU A 138 -7.847 -0.010 -2.068 1.00 0.00 C ATOM 0 H LEU A 138 -9.274 -4.055 0.108 1.00 0.00 H new ATOM 0 HA LEU A 138 -9.620 -1.496 1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -7.990 -2.038 -0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -9.292 -2.227 -1.584 1.00 0.00 H new ATOM 0 HG LEU A 138 -9.879 0.106 -1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -8.540 1.688 -0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -9.372 0.508 0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -7.632 0.333 0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.778 1.049 -2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -6.887 -0.356 -1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -8.107 -0.577 -2.962 1.00 0.00 H new ATOM 2145 N ARG A 139 -12.033 -2.670 -0.606 1.00 0.00 N ATOM 2146 CA ARG A 139 -13.474 -2.565 -0.796 1.00 0.00 C ATOM 2147 C ARG A 139 -14.176 -2.777 0.540 1.00 0.00 C ATOM 2148 O ARG A 139 -15.235 -2.220 0.784 1.00 0.00 O ATOM 2149 CB ARG A 139 -13.975 -3.564 -1.849 1.00 0.00 C ATOM 2150 CG ARG A 139 -15.212 -3.086 -2.619 1.00 0.00 C ATOM 2151 CD ARG A 139 -16.477 -3.088 -1.765 1.00 0.00 C ATOM 2152 NE ARG A 139 -16.874 -4.440 -1.379 1.00 0.00 N ATOM 2153 CZ ARG A 139 -18.138 -4.845 -1.253 1.00 0.00 C ATOM 2154 NH1 ARG A 139 -19.145 -3.992 -1.402 1.00 0.00 N ATOM 2155 NH2 ARG A 139 -18.398 -6.110 -0.962 1.00 0.00 N ATOM 0 H ARG A 139 -11.596 -3.467 -1.068 1.00 0.00 H new ATOM 0 HA ARG A 139 -13.708 -1.567 -1.168 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -13.172 -3.763 -2.558 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -14.207 -4.509 -1.358 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -15.034 -2.078 -2.994 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -15.364 -3.727 -3.487 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -16.311 -2.489 -0.869 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -17.289 -2.616 -2.318 1.00 0.00 H new ATOM 0 HE ARG A 139 -16.136 -5.119 -1.194 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -18.956 -3.013 -1.616 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -20.107 -4.316 -1.303 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -17.632 -6.772 -0.835 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -19.364 -6.423 -0.865 1.00 0.00 H new ATOM 2169 N LYS A 140 -13.587 -3.582 1.413 1.00 0.00 N ATOM 2170 CA LYS A 140 -14.139 -3.773 2.735 1.00 0.00 C ATOM 2171 C LYS A 140 -14.051 -2.508 3.605 1.00 0.00 C ATOM 2172 O LYS A 140 -15.010 -2.119 4.243 1.00 0.00 O ATOM 2173 CB LYS A 140 -13.439 -4.935 3.437 1.00 0.00 C ATOM 2174 CG LYS A 140 -14.256 -6.214 3.493 1.00 0.00 C ATOM 2175 CD LYS A 140 -13.496 -7.410 2.955 1.00 0.00 C ATOM 2176 CE LYS A 140 -12.211 -7.673 3.724 1.00 0.00 C ATOM 2177 NZ LYS A 140 -11.794 -9.103 3.666 1.00 0.00 N ATOM 0 H LYS A 140 -12.733 -4.108 1.226 1.00 0.00 H new ATOM 0 HA LYS A 140 -15.197 -4.002 2.605 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -12.499 -5.140 2.925 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -13.189 -4.632 4.454 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -14.551 -6.408 4.524 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -15.173 -6.081 2.919 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -14.133 -8.293 3.003 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -13.260 -7.244 1.904 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -11.415 -7.049 3.319 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -12.348 -7.380 4.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -11.294 -9.355 4.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -12.635 -9.706 3.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -11.161 -9.247 2.853 1.00 0.00 H new ATOM 2191 N ALA A 141 -12.925 -1.855 3.599 1.00 0.00 N ATOM 2192 CA ALA A 141 -12.707 -0.691 4.438 1.00 0.00 C ATOM 2193 C ALA A 141 -13.520 0.484 3.934 1.00 0.00 C ATOM 2194 O ALA A 141 -13.943 1.345 4.708 1.00 0.00 O ATOM 2195 CB ALA A 141 -11.235 -0.347 4.477 1.00 0.00 C ATOM 0 H ALA A 141 -12.127 -2.107 3.016 1.00 0.00 H new ATOM 0 HA ALA A 141 -13.035 -0.921 5.452 1.00 0.00 H new ATOM 0 HB1 ALA A 141 -11.082 0.528 5.109 1.00 0.00 H new ATOM 0 HB2 ALA A 141 -10.675 -1.190 4.882 1.00 0.00 H new ATOM 0 HB3 ALA A 141 -10.885 -0.131 3.468 1.00 0.00 H new ATOM 2201 N VAL A 142 -13.743 0.503 2.630 1.00 0.00 N ATOM 2202 CA VAL A 142 -14.530 1.537 2.018 1.00 0.00 C ATOM 2203 C VAL A 142 -16.000 1.118 1.999 1.00 0.00 C ATOM 2204 O VAL A 142 -16.887 1.950 1.824 1.00 0.00 O ATOM 2205 CB VAL A 142 -14.021 1.876 0.603 1.00 0.00 C ATOM 2206 CG1 VAL A 142 -12.563 2.321 0.670 1.00 0.00 C ATOM 2207 CG2 VAL A 142 -14.186 0.718 -0.371 1.00 0.00 C ATOM 0 H VAL A 142 -13.383 -0.195 1.979 1.00 0.00 H new ATOM 0 HA VAL A 142 -14.432 2.447 2.611 1.00 0.00 H new ATOM 0 HB VAL A 142 -14.634 2.693 0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -12.209 2.559 -0.333 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -12.481 3.204 1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -11.956 1.518 1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -13.812 1.011 -1.352 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -13.624 -0.143 -0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -15.241 0.456 -0.449 1.00 0.00 H new ATOM 2217 N GLU A 143 -16.244 -0.187 2.195 1.00 0.00 N ATOM 2218 CA GLU A 143 -17.613 -0.708 2.325 1.00 0.00 C ATOM 2219 C GLU A 143 -17.712 -1.922 3.250 1.00 0.00 C ATOM 2220 O GLU A 143 -18.386 -1.873 4.280 1.00 0.00 O ATOM 2221 CB GLU A 143 -18.182 -1.116 0.973 1.00 0.00 C ATOM 2222 CG GLU A 143 -18.602 0.044 0.108 1.00 0.00 C ATOM 2223 CD GLU A 143 -19.817 -0.289 -0.732 1.00 0.00 C ATOM 2224 OE1 GLU A 143 -19.851 -1.384 -1.334 1.00 0.00 O ATOM 2225 OE2 GLU A 143 -20.760 0.531 -0.769 1.00 0.00 O ATOM 0 H GLU A 143 -15.515 -0.897 2.267 1.00 0.00 H new ATOM 0 HA GLU A 143 -18.185 0.113 2.757 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -17.435 -1.703 0.438 1.00 0.00 H new ATOM 0 HB3 GLU A 143 -19.042 -1.766 1.134 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -18.821 0.906 0.738 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -17.776 0.328 -0.544 1.00 0.00 H new ATOM 2232 N GLU A 144 -17.011 -2.991 2.869 1.00 0.00 N ATOM 2233 CA GLU A 144 -17.142 -4.324 3.486 1.00 0.00 C ATOM 2234 C GLU A 144 -18.567 -4.881 3.344 1.00 0.00 C ATOM 2235 O GLU A 144 -19.557 -4.206 3.631 1.00 0.00 O ATOM 2236 CB GLU A 144 -16.689 -4.279 4.950 1.00 0.00 C ATOM 2237 CG GLU A 144 -16.833 -5.600 5.689 1.00 0.00 C ATOM 2238 CD GLU A 144 -15.767 -5.790 6.749 1.00 0.00 C ATOM 2239 OE1 GLU A 144 -15.395 -4.802 7.420 1.00 0.00 O ATOM 2240 OE2 GLU A 144 -15.286 -6.929 6.913 1.00 0.00 O ATOM 0 H GLU A 144 -16.326 -2.961 2.114 1.00 0.00 H new ATOM 0 HA GLU A 144 -16.487 -5.012 2.951 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -15.645 -3.968 4.986 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -17.267 -3.518 5.474 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -17.817 -5.647 6.155 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -16.780 -6.421 4.974 1.00 0.00 H new