USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 676 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 46 HIS : no HD1:sc= -0.0846 K(o=-0.21,f=-0.81) USER MOD Set 1.2: A 48 ASN : amide:sc= -0.121 K(o=-0.21,f=-0.81) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 128:sc= 0.632 USER MOD Single : A 17 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.253) USER MOD Single : A 19 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00152) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 25 TYR OH : rot -130:sc= -0.346 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -68:sc= 1.09 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -83:sc= 0.125 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.456 USER MOD Single : A 42 CYS SG : rot 71:sc= 0.349 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -134:sc= -0.106 (180deg=-0.627) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -143:sc= -1.14! USER MOD Single : A 64 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.118) USER MOD Single : A 65 HIS : no HD1:sc= -0.0379 X(o=-0.038,f=-0.32) USER MOD Single : A 66 ASN : amide:sc= -0.641 K(o=-0.64,f=-2.1!) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.231 F(o=-0.88,f=-0.23) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= -2.6! C(o=-2.6!,f=-4.2!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -1.58 K(o=-1.6,f=-7.3!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 106 N LYS A 10 9.734 5.527 12.985 1.00 0.00 N ATOM 107 CA LYS A 10 8.317 5.316 13.256 1.00 0.00 C ATOM 108 C LYS A 10 7.789 4.112 12.482 1.00 0.00 C ATOM 109 O LYS A 10 8.433 3.630 11.549 1.00 0.00 O ATOM 110 CB LYS A 10 7.514 6.565 12.887 1.00 0.00 C ATOM 111 CG LYS A 10 6.055 6.496 13.303 1.00 0.00 C ATOM 112 CD LYS A 10 5.374 7.849 13.178 1.00 0.00 C ATOM 113 CE LYS A 10 5.806 8.794 14.288 1.00 0.00 C ATOM 114 NZ LYS A 10 4.963 8.642 15.506 1.00 0.00 N ATOM 0 HA LYS A 10 8.202 5.120 14.322 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.976 7.435 13.355 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.569 6.716 11.809 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.533 5.767 12.683 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.986 6.147 14.333 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.613 8.290 12.210 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.292 7.718 13.211 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.849 8.603 14.542 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.748 9.823 13.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.290 9.303 16.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.971 8.849 15.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.038 7.667 15.861 1.00 0.00 H new ATOM 128 N LEU A 11 6.614 3.632 12.873 1.00 0.00 N ATOM 129 CA LEU A 11 5.998 2.486 12.215 1.00 0.00 C ATOM 130 C LEU A 11 4.551 2.787 11.836 1.00 0.00 C ATOM 131 O LEU A 11 3.727 3.103 12.695 1.00 0.00 O ATOM 132 CB LEU A 11 6.054 1.259 13.127 1.00 0.00 C ATOM 133 CG LEU A 11 7.413 0.567 13.239 1.00 0.00 C ATOM 134 CD1 LEU A 11 7.823 -0.026 11.901 1.00 0.00 C ATOM 135 CD2 LEU A 11 8.468 1.544 13.737 1.00 0.00 C ATOM 0 H LEU A 11 6.069 4.019 13.643 1.00 0.00 H new ATOM 0 HA LEU A 11 6.557 2.279 11.302 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.738 1.559 14.126 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.327 0.531 12.768 1.00 0.00 H new ATOM 0 HG LEU A 11 7.327 -0.245 13.961 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.793 -0.514 12.001 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.080 -0.757 11.584 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.891 0.768 11.157 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.429 1.035 13.811 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.551 2.377 13.039 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.181 1.921 14.719 1.00 0.00 H new ATOM 147 N VAL A 12 4.249 2.685 10.546 1.00 0.00 N ATOM 148 CA VAL A 12 2.901 2.943 10.054 1.00 0.00 C ATOM 149 C VAL A 12 2.206 1.648 9.649 1.00 0.00 C ATOM 150 O VAL A 12 2.814 0.772 9.033 1.00 0.00 O ATOM 151 CB VAL A 12 2.918 3.903 8.849 1.00 0.00 C ATOM 152 CG1 VAL A 12 3.489 5.254 9.250 1.00 0.00 C ATOM 153 CG2 VAL A 12 3.710 3.300 7.699 1.00 0.00 C ATOM 0 H VAL A 12 4.920 2.426 9.823 1.00 0.00 H new ATOM 0 HA VAL A 12 2.349 3.407 10.871 1.00 0.00 H new ATOM 0 HB VAL A 12 1.892 4.055 8.513 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.493 5.918 8.386 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.875 5.689 10.039 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.509 5.125 9.613 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.712 3.991 6.856 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.735 3.117 8.020 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.251 2.359 7.395 1.00 0.00 H new ATOM 163 N ARG A 13 0.929 1.534 9.998 1.00 0.00 N ATOM 164 CA ARG A 13 0.151 0.345 9.671 1.00 0.00 C ATOM 165 C ARG A 13 -0.705 0.580 8.430 1.00 0.00 C ATOM 166 O ARG A 13 -1.359 1.615 8.302 1.00 0.00 O ATOM 167 CB ARG A 13 -0.739 -0.049 10.851 1.00 0.00 C ATOM 168 CG ARG A 13 0.012 -0.740 11.976 1.00 0.00 C ATOM 169 CD ARG A 13 0.610 0.266 12.948 1.00 0.00 C ATOM 170 NE ARG A 13 -0.421 1.022 13.655 1.00 0.00 N ATOM 171 CZ ARG A 13 -1.237 0.487 14.556 1.00 0.00 C ATOM 172 NH1 ARG A 13 -1.144 -0.801 14.858 1.00 0.00 N ATOM 173 NH2 ARG A 13 -2.149 1.240 15.157 1.00 0.00 N ATOM 0 H ARG A 13 0.411 2.250 10.507 1.00 0.00 H new ATOM 0 HA ARG A 13 0.847 -0.468 9.463 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.223 0.845 11.244 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.530 -0.709 10.494 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.665 -1.406 12.511 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.805 -1.360 11.558 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.237 -0.256 13.671 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.257 0.955 12.405 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.520 2.015 13.445 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.444 -1.383 14.398 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.772 -1.209 15.550 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.224 2.231 14.927 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.775 0.828 15.849 1.00 0.00 H new ATOM 187 N ILE A 14 -0.696 -0.388 7.519 1.00 0.00 N ATOM 188 CA ILE A 14 -1.472 -0.286 6.289 1.00 0.00 C ATOM 189 C ILE A 14 -2.390 -1.491 6.118 1.00 0.00 C ATOM 190 O ILE A 14 -1.927 -2.616 5.927 1.00 0.00 O ATOM 191 CB ILE A 14 -0.558 -0.172 5.055 1.00 0.00 C ATOM 192 CG1 ILE A 14 0.258 1.121 5.115 1.00 0.00 C ATOM 193 CG2 ILE A 14 -1.383 -0.225 3.778 1.00 0.00 C ATOM 194 CD1 ILE A 14 -0.561 2.365 4.852 1.00 0.00 C ATOM 0 H ILE A 14 -0.160 -1.251 7.610 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.075 0.619 6.369 1.00 0.00 H new ATOM 0 HB ILE A 14 0.132 -1.015 5.054 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.723 1.203 6.098 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.065 1.066 4.384 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.723 -0.143 2.915 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.924 -1.170 3.733 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.095 0.601 3.770 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.082 3.243 4.911 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.004 2.305 3.858 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.352 2.444 5.598 1.00 0.00 H new ATOM 206 N TYR A 15 -3.694 -1.248 6.186 1.00 0.00 N ATOM 207 CA TYR A 15 -4.679 -2.313 6.039 1.00 0.00 C ATOM 208 C TYR A 15 -4.970 -2.587 4.566 1.00 0.00 C ATOM 209 O TYR A 15 -5.738 -1.866 3.927 1.00 0.00 O ATOM 210 CB TYR A 15 -5.974 -1.943 6.765 1.00 0.00 C ATOM 211 CG TYR A 15 -5.760 -1.499 8.195 1.00 0.00 C ATOM 212 CD1 TYR A 15 -5.271 -2.380 9.151 1.00 0.00 C ATOM 213 CD2 TYR A 15 -6.048 -0.198 8.589 1.00 0.00 C ATOM 214 CE1 TYR A 15 -5.075 -1.979 10.458 1.00 0.00 C ATOM 215 CE2 TYR A 15 -5.853 0.213 9.894 1.00 0.00 C ATOM 216 CZ TYR A 15 -5.367 -0.681 10.825 1.00 0.00 C ATOM 217 OH TYR A 15 -5.173 -0.277 12.125 1.00 0.00 O ATOM 0 H TYR A 15 -4.094 -0.323 6.342 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.266 -3.218 6.484 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.473 -1.144 6.216 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.644 -2.803 6.757 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.040 -3.396 8.867 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -6.431 0.504 7.863 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -4.695 -2.677 11.189 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.080 1.229 10.183 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.426 0.665 12.216 1.00 0.00 H new ATOM 227 N THR A 16 -4.350 -3.635 4.033 1.00 0.00 N ATOM 228 CA THR A 16 -4.540 -4.006 2.636 1.00 0.00 C ATOM 229 C THR A 16 -5.885 -4.693 2.428 1.00 0.00 C ATOM 230 O THR A 16 -6.333 -5.471 3.270 1.00 0.00 O ATOM 231 CB THR A 16 -3.418 -4.939 2.145 1.00 0.00 C ATOM 232 OG1 THR A 16 -3.401 -4.974 0.713 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.607 -6.347 2.689 1.00 0.00 C ATOM 0 H THR A 16 -3.712 -4.242 4.548 1.00 0.00 H new ATOM 0 HA THR A 16 -4.513 -3.083 2.057 1.00 0.00 H new ATOM 0 HB THR A 16 -2.467 -4.550 2.510 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.495 -4.783 0.392 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.802 -6.988 2.328 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.590 -6.321 3.779 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.565 -6.742 2.350 1.00 0.00 H new ATOM 241 N LYS A 17 -6.525 -4.402 1.300 1.00 0.00 N ATOM 242 CA LYS A 17 -7.818 -4.993 0.979 1.00 0.00 C ATOM 243 C LYS A 17 -7.676 -6.059 -0.103 1.00 0.00 C ATOM 244 O LYS A 17 -7.225 -5.790 -1.217 1.00 0.00 O ATOM 245 CB LYS A 17 -8.797 -3.911 0.519 1.00 0.00 C ATOM 246 CG LYS A 17 -10.192 -4.436 0.228 1.00 0.00 C ATOM 247 CD LYS A 17 -11.071 -3.367 -0.398 1.00 0.00 C ATOM 248 CE LYS A 17 -11.820 -2.571 0.660 1.00 0.00 C ATOM 249 NZ LYS A 17 -13.143 -3.178 0.977 1.00 0.00 N ATOM 0 H LYS A 17 -6.168 -3.760 0.593 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.207 -5.466 1.881 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.861 -3.141 1.287 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.403 -3.434 -0.378 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.127 -5.293 -0.442 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.649 -4.789 1.153 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.457 -2.693 -0.995 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.785 -3.833 -1.077 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.218 -2.517 1.567 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.964 -1.548 0.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.516 -2.759 1.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.805 -2.995 0.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.033 -4.204 1.104 1.00 0.00 H new ATOM 263 N PRO A 18 -8.069 -7.297 0.229 1.00 0.00 N ATOM 264 CA PRO A 18 -7.997 -8.427 -0.702 1.00 0.00 C ATOM 265 C PRO A 18 -9.004 -8.306 -1.840 1.00 0.00 C ATOM 266 O PRO A 18 -9.682 -7.287 -1.978 1.00 0.00 O ATOM 267 CB PRO A 18 -8.327 -9.634 0.179 1.00 0.00 C ATOM 268 CG PRO A 18 -9.142 -9.077 1.295 1.00 0.00 C ATOM 269 CD PRO A 18 -8.616 -7.690 1.538 1.00 0.00 C ATOM 0 HA PRO A 18 -7.024 -8.492 -1.190 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.881 -10.390 -0.377 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.421 -10.112 0.551 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -10.200 -9.053 1.032 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.050 -9.692 2.190 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -9.405 -7.012 1.863 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.849 -7.681 2.313 1.00 0.00 H new ATOM 277 N LYS A 19 -9.099 -9.352 -2.654 1.00 0.00 N ATOM 278 CA LYS A 19 -10.026 -9.365 -3.780 1.00 0.00 C ATOM 279 C LYS A 19 -11.279 -10.167 -3.444 1.00 0.00 C ATOM 280 O LYS A 19 -11.223 -11.386 -3.286 1.00 0.00 O ATOM 281 CB LYS A 19 -9.347 -9.953 -5.019 1.00 0.00 C ATOM 282 CG LYS A 19 -8.316 -11.021 -4.698 1.00 0.00 C ATOM 283 CD LYS A 19 -6.970 -10.410 -4.347 1.00 0.00 C ATOM 284 CE LYS A 19 -6.199 -11.284 -3.370 1.00 0.00 C ATOM 285 NZ LYS A 19 -5.824 -12.593 -3.973 1.00 0.00 N ATOM 0 H LYS A 19 -8.545 -10.203 -2.555 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.320 -8.336 -3.989 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.108 -10.379 -5.672 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.864 -9.149 -5.574 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.669 -11.629 -3.865 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.202 -11.687 -5.553 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.383 -10.273 -5.255 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.120 -9.422 -3.912 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.298 -10.761 -3.048 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.804 -11.454 -2.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.286 -13.152 -3.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.685 -13.111 -4.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.239 -12.431 -4.818 1.00 0.00 H new ATOM 299 N GLY A 20 -12.409 -9.475 -3.339 1.00 0.00 N ATOM 300 CA GLY A 20 -13.660 -10.141 -3.024 1.00 0.00 C ATOM 301 C GLY A 20 -13.864 -10.316 -1.532 1.00 0.00 C ATOM 302 O GLY A 20 -14.974 -10.598 -1.081 1.00 0.00 O ATOM 0 H GLY A 20 -12.481 -8.466 -3.466 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.489 -9.565 -3.436 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.680 -11.118 -3.507 1.00 0.00 H new ATOM 306 N GLN A 21 -12.791 -10.150 -0.766 1.00 0.00 N ATOM 307 CA GLN A 21 -12.858 -10.294 0.683 1.00 0.00 C ATOM 308 C GLN A 21 -12.653 -8.950 1.374 1.00 0.00 C ATOM 309 O GLN A 21 -12.420 -7.933 0.720 1.00 0.00 O ATOM 310 CB GLN A 21 -11.806 -11.295 1.166 1.00 0.00 C ATOM 311 CG GLN A 21 -12.283 -12.738 1.142 1.00 0.00 C ATOM 312 CD GLN A 21 -11.138 -13.730 1.105 1.00 0.00 C ATOM 313 OE1 GLN A 21 -10.147 -13.580 1.821 1.00 0.00 O ATOM 314 NE2 GLN A 21 -11.267 -14.753 0.269 1.00 0.00 N ATOM 0 H GLN A 21 -11.865 -9.916 -1.125 1.00 0.00 H new ATOM 0 HA GLN A 21 -13.850 -10.666 0.940 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.917 -11.205 0.542 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.510 -11.036 2.182 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -12.896 -12.929 2.023 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -12.920 -12.892 0.271 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -12.105 -14.839 -0.306 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.528 -15.453 0.202 1.00 0.00 H new ATOM 323 N LEU A 22 -12.742 -8.953 2.700 1.00 0.00 N ATOM 324 CA LEU A 22 -12.567 -7.733 3.480 1.00 0.00 C ATOM 325 C LEU A 22 -11.098 -7.517 3.831 1.00 0.00 C ATOM 326 O LEU A 22 -10.325 -8.463 3.980 1.00 0.00 O ATOM 327 CB LEU A 22 -13.404 -7.797 4.759 1.00 0.00 C ATOM 328 CG LEU A 22 -14.902 -7.538 4.594 1.00 0.00 C ATOM 329 CD1 LEU A 22 -15.664 -8.003 5.825 1.00 0.00 C ATOM 330 CD2 LEU A 22 -15.162 -6.062 4.330 1.00 0.00 C ATOM 0 H LEU A 22 -12.934 -9.786 3.257 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.904 -6.892 2.874 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.273 -8.782 5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.006 -7.070 5.467 1.00 0.00 H new ATOM 0 HG LEU A 22 -15.257 -8.109 3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -16.728 -7.810 5.689 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -15.504 -9.072 5.970 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -15.306 -7.461 6.700 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -16.233 -5.896 4.215 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -14.791 -5.472 5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -14.648 -5.760 3.418 1.00 0.00 H new ATOM 342 N PRO A 23 -10.704 -6.242 3.969 1.00 0.00 N ATOM 343 CA PRO A 23 -9.326 -5.872 4.307 1.00 0.00 C ATOM 344 C PRO A 23 -8.962 -6.243 5.741 1.00 0.00 C ATOM 345 O PRO A 23 -9.681 -5.906 6.681 1.00 0.00 O ATOM 346 CB PRO A 23 -9.313 -4.352 4.128 1.00 0.00 C ATOM 347 CG PRO A 23 -10.729 -3.935 4.330 1.00 0.00 C ATOM 348 CD PRO A 23 -11.572 -5.064 3.806 1.00 0.00 C ATOM 0 HA PRO A 23 -8.599 -6.394 3.685 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.652 -3.874 4.851 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.956 -4.073 3.137 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -10.935 -3.751 5.384 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.943 -3.008 3.797 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.500 -5.168 4.369 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.848 -4.909 2.763 1.00 0.00 H new ATOM 356 N ASP A 24 -7.840 -6.937 5.900 1.00 0.00 N ATOM 357 CA ASP A 24 -7.379 -7.352 7.220 1.00 0.00 C ATOM 358 C ASP A 24 -7.065 -6.141 8.092 1.00 0.00 C ATOM 359 O ASP A 24 -6.295 -5.264 7.699 1.00 0.00 O ATOM 360 CB ASP A 24 -6.141 -8.241 7.095 1.00 0.00 C ATOM 361 CG ASP A 24 -6.297 -9.303 6.025 1.00 0.00 C ATOM 362 OD1 ASP A 24 -7.387 -9.907 5.942 1.00 0.00 O ATOM 363 OD2 ASP A 24 -5.328 -9.532 5.270 1.00 0.00 O ATOM 0 H ASP A 24 -7.233 -7.224 5.132 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.179 -7.921 7.695 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.274 -7.622 6.864 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.944 -8.721 8.053 1.00 0.00 H new ATOM 368 N TYR A 25 -7.667 -6.097 9.275 1.00 0.00 N ATOM 369 CA TYR A 25 -7.454 -4.991 10.201 1.00 0.00 C ATOM 370 C TYR A 25 -6.752 -5.469 11.469 1.00 0.00 C ATOM 371 O TYR A 25 -6.360 -4.667 12.316 1.00 0.00 O ATOM 372 CB TYR A 25 -8.788 -4.335 10.560 1.00 0.00 C ATOM 373 CG TYR A 25 -9.441 -3.616 9.401 1.00 0.00 C ATOM 374 CD1 TYR A 25 -8.929 -2.414 8.928 1.00 0.00 C ATOM 375 CD2 TYR A 25 -10.569 -4.137 8.781 1.00 0.00 C ATOM 376 CE1 TYR A 25 -9.521 -1.752 7.870 1.00 0.00 C ATOM 377 CE2 TYR A 25 -11.168 -3.483 7.721 1.00 0.00 C ATOM 378 CZ TYR A 25 -10.640 -2.291 7.270 1.00 0.00 C ATOM 379 OH TYR A 25 -11.234 -1.636 6.215 1.00 0.00 O ATOM 0 H TYR A 25 -8.307 -6.815 9.616 1.00 0.00 H new ATOM 0 HA TYR A 25 -6.816 -4.257 9.709 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.470 -5.099 10.933 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.628 -3.626 11.372 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.053 -1.990 9.396 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.985 -5.069 9.133 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.110 -0.818 7.515 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -12.044 -3.903 7.249 1.00 0.00 H new ATOM 0 HH TYR A 25 -12.197 -1.557 6.380 1.00 0.00 H new ATOM 389 N THR A 26 -6.597 -6.784 11.591 1.00 0.00 N ATOM 390 CA THR A 26 -5.943 -7.371 12.754 1.00 0.00 C ATOM 391 C THR A 26 -4.502 -7.755 12.439 1.00 0.00 C ATOM 392 O THR A 26 -3.631 -7.701 13.307 1.00 0.00 O ATOM 393 CB THR A 26 -6.697 -8.618 13.253 1.00 0.00 C ATOM 394 OG1 THR A 26 -6.093 -9.108 14.455 1.00 0.00 O ATOM 395 CG2 THR A 26 -6.694 -9.712 12.195 1.00 0.00 C ATOM 0 H THR A 26 -6.915 -7.462 10.899 1.00 0.00 H new ATOM 0 HA THR A 26 -5.951 -6.613 13.537 1.00 0.00 H new ATOM 0 HB THR A 26 -7.730 -8.334 13.456 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.579 -9.900 14.766 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.232 -10.582 12.570 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.181 -9.346 11.291 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.666 -9.993 11.965 1.00 0.00 H new ATOM 403 N SER A 27 -4.257 -8.143 11.192 1.00 0.00 N ATOM 404 CA SER A 27 -2.920 -8.539 10.763 1.00 0.00 C ATOM 405 C SER A 27 -2.411 -7.622 9.655 1.00 0.00 C ATOM 406 O SER A 27 -2.092 -8.060 8.549 1.00 0.00 O ATOM 407 CB SER A 27 -2.927 -9.990 10.277 1.00 0.00 C ATOM 408 OG SER A 27 -1.732 -10.300 9.581 1.00 0.00 O ATOM 0 H SER A 27 -4.966 -8.192 10.461 1.00 0.00 H new ATOM 0 HA SER A 27 -2.250 -8.453 11.618 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.041 -10.661 11.128 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.785 -10.154 9.625 1.00 0.00 H new ATOM 0 HG SER A 27 -1.706 -9.801 8.738 1.00 0.00 H new ATOM 414 N PRO A 28 -2.332 -6.318 9.957 1.00 0.00 N ATOM 415 CA PRO A 28 -1.862 -5.311 9.001 1.00 0.00 C ATOM 416 C PRO A 28 -0.370 -5.435 8.715 1.00 0.00 C ATOM 417 O PRO A 28 0.347 -6.158 9.408 1.00 0.00 O ATOM 418 CB PRO A 28 -2.163 -3.985 9.705 1.00 0.00 C ATOM 419 CG PRO A 28 -2.169 -4.320 11.157 1.00 0.00 C ATOM 420 CD PRO A 28 -2.696 -5.726 11.255 1.00 0.00 C ATOM 0 HA PRO A 28 -2.347 -5.414 8.030 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.407 -3.234 9.475 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.123 -3.578 9.389 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.166 -4.249 11.578 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.799 -3.627 11.715 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.243 -6.268 12.085 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.774 -5.741 11.415 1.00 0.00 H new ATOM 428 N VAL A 29 0.093 -4.726 7.691 1.00 0.00 N ATOM 429 CA VAL A 29 1.502 -4.756 7.314 1.00 0.00 C ATOM 430 C VAL A 29 2.240 -3.535 7.853 1.00 0.00 C ATOM 431 O VAL A 29 2.037 -2.416 7.383 1.00 0.00 O ATOM 432 CB VAL A 29 1.673 -4.812 5.785 1.00 0.00 C ATOM 433 CG1 VAL A 29 0.777 -3.785 5.109 1.00 0.00 C ATOM 434 CG2 VAL A 29 3.129 -4.594 5.404 1.00 0.00 C ATOM 0 H VAL A 29 -0.487 -4.123 7.107 1.00 0.00 H new ATOM 0 HA VAL A 29 1.928 -5.658 7.752 1.00 0.00 H new ATOM 0 HB VAL A 29 1.375 -5.802 5.440 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.912 -3.840 4.029 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.264 -3.992 5.356 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.041 -2.786 5.458 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.232 -4.637 4.320 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.456 -3.618 5.761 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.744 -5.371 5.858 1.00 0.00 H new ATOM 444 N VAL A 30 3.100 -3.759 8.841 1.00 0.00 N ATOM 445 CA VAL A 30 3.871 -2.679 9.444 1.00 0.00 C ATOM 446 C VAL A 30 5.105 -2.353 8.609 1.00 0.00 C ATOM 447 O VAL A 30 6.087 -3.096 8.616 1.00 0.00 O ATOM 448 CB VAL A 30 4.313 -3.034 10.875 1.00 0.00 C ATOM 449 CG1 VAL A 30 5.029 -1.858 11.522 1.00 0.00 C ATOM 450 CG2 VAL A 30 3.117 -3.466 11.710 1.00 0.00 C ATOM 0 H VAL A 30 3.280 -4.680 9.241 1.00 0.00 H new ATOM 0 HA VAL A 30 3.218 -1.807 9.480 1.00 0.00 H new ATOM 0 HB VAL A 30 5.012 -3.869 10.823 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.333 -2.129 12.533 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.910 -1.601 10.934 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.357 -1.001 11.563 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.448 -3.713 12.719 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.392 -2.653 11.755 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.653 -4.341 11.255 1.00 0.00 H new ATOM 460 N LEU A 31 5.048 -1.236 7.891 1.00 0.00 N ATOM 461 CA LEU A 31 6.161 -0.810 7.050 1.00 0.00 C ATOM 462 C LEU A 31 6.979 0.278 7.739 1.00 0.00 C ATOM 463 O LEU A 31 6.468 1.054 8.548 1.00 0.00 O ATOM 464 CB LEU A 31 5.644 -0.300 5.704 1.00 0.00 C ATOM 465 CG LEU A 31 4.759 -1.266 4.915 1.00 0.00 C ATOM 466 CD1 LEU A 31 4.012 -0.529 3.816 1.00 0.00 C ATOM 467 CD2 LEU A 31 5.594 -2.396 4.330 1.00 0.00 C ATOM 0 H LEU A 31 4.243 -0.610 7.875 1.00 0.00 H new ATOM 0 HA LEU A 31 6.806 -1.672 6.881 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.081 0.617 5.878 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.501 -0.036 5.085 1.00 0.00 H new ATOM 0 HG LEU A 31 4.026 -1.697 5.597 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.388 -1.233 3.265 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.384 0.244 4.258 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.728 -0.069 3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.948 -3.074 3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.349 -1.982 3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.083 -2.942 5.137 1.00 0.00 H new ATOM 479 N PRO A 32 8.278 0.340 7.411 1.00 0.00 N ATOM 480 CA PRO A 32 9.193 1.331 7.985 1.00 0.00 C ATOM 481 C PRO A 32 8.900 2.744 7.492 1.00 0.00 C ATOM 482 O PRO A 32 8.841 2.991 6.287 1.00 0.00 O ATOM 483 CB PRO A 32 10.568 0.868 7.498 1.00 0.00 C ATOM 484 CG PRO A 32 10.290 0.105 6.249 1.00 0.00 C ATOM 485 CD PRO A 32 8.953 -0.553 6.455 1.00 0.00 C ATOM 0 HA PRO A 32 9.107 1.386 9.070 1.00 0.00 H new ATOM 0 HB2 PRO A 32 11.226 1.715 7.306 1.00 0.00 H new ATOM 0 HB3 PRO A 32 11.062 0.243 8.242 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.270 0.767 5.383 1.00 0.00 H new ATOM 0 HG3 PRO A 32 11.066 -0.638 6.064 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.397 -0.636 5.521 1.00 0.00 H new ATOM 0 HD3 PRO A 32 9.059 -1.562 6.853 1.00 0.00 H new ATOM 493 N TYR A 33 8.718 3.667 8.429 1.00 0.00 N ATOM 494 CA TYR A 33 8.430 5.055 8.089 1.00 0.00 C ATOM 495 C TYR A 33 9.389 5.564 7.017 1.00 0.00 C ATOM 496 O TYR A 33 8.971 5.938 5.922 1.00 0.00 O ATOM 497 CB TYR A 33 8.524 5.938 9.335 1.00 0.00 C ATOM 498 CG TYR A 33 7.844 7.279 9.180 1.00 0.00 C ATOM 499 CD1 TYR A 33 8.480 8.333 8.537 1.00 0.00 C ATOM 500 CD2 TYR A 33 6.563 7.491 9.677 1.00 0.00 C ATOM 501 CE1 TYR A 33 7.862 9.560 8.394 1.00 0.00 C ATOM 502 CE2 TYR A 33 5.937 8.715 9.537 1.00 0.00 C ATOM 503 CZ TYR A 33 6.590 9.746 8.895 1.00 0.00 C ATOM 504 OH TYR A 33 5.971 10.967 8.754 1.00 0.00 O ATOM 0 H TYR A 33 8.765 3.479 9.430 1.00 0.00 H new ATOM 0 HA TYR A 33 7.415 5.102 7.694 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.079 5.410 10.178 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.574 6.099 9.578 1.00 0.00 H new ATOM 0 HD1 TYR A 33 9.475 8.191 8.142 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.049 6.686 10.181 1.00 0.00 H new ATOM 0 HE1 TYR A 33 8.372 10.369 7.893 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.941 8.863 9.928 1.00 0.00 H new ATOM 0 HH TYR A 33 5.080 10.931 9.160 1.00 0.00 H new ATOM 514 N SER A 34 10.677 5.574 7.342 1.00 0.00 N ATOM 515 CA SER A 34 11.697 6.040 6.410 1.00 0.00 C ATOM 516 C SER A 34 11.377 5.593 4.987 1.00 0.00 C ATOM 517 O SER A 34 11.692 6.288 4.021 1.00 0.00 O ATOM 518 CB SER A 34 13.074 5.516 6.824 1.00 0.00 C ATOM 519 OG SER A 34 14.017 5.679 5.779 1.00 0.00 O ATOM 0 H SER A 34 11.039 5.265 8.244 1.00 0.00 H new ATOM 0 HA SER A 34 11.708 7.130 6.436 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.416 6.046 7.713 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.000 4.462 7.090 1.00 0.00 H new ATOM 0 HG SER A 34 14.889 5.338 6.069 1.00 0.00 H new ATOM 525 N ARG A 35 10.749 4.428 4.867 1.00 0.00 N ATOM 526 CA ARG A 35 10.386 3.886 3.562 1.00 0.00 C ATOM 527 C ARG A 35 8.896 3.564 3.503 1.00 0.00 C ATOM 528 O ARG A 35 8.459 2.510 3.967 1.00 0.00 O ATOM 529 CB ARG A 35 11.204 2.629 3.263 1.00 0.00 C ATOM 530 CG ARG A 35 12.637 2.918 2.846 1.00 0.00 C ATOM 531 CD ARG A 35 12.739 3.185 1.353 1.00 0.00 C ATOM 532 NE ARG A 35 14.114 3.089 0.872 1.00 0.00 N ATOM 533 CZ ARG A 35 14.476 3.350 -0.379 1.00 0.00 C ATOM 534 NH1 ARG A 35 13.568 3.721 -1.271 1.00 0.00 N ATOM 535 NH2 ARG A 35 15.747 3.239 -0.741 1.00 0.00 N ATOM 0 H ARG A 35 10.481 3.841 5.657 1.00 0.00 H new ATOM 0 HA ARG A 35 10.606 4.642 2.808 1.00 0.00 H new ATOM 0 HB2 ARG A 35 11.214 1.993 4.148 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.711 2.065 2.471 1.00 0.00 H new ATOM 0 HG2 ARG A 35 13.011 3.781 3.397 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.272 2.072 3.110 1.00 0.00 H new ATOM 0 HD2 ARG A 35 12.116 2.471 0.814 1.00 0.00 H new ATOM 0 HD3 ARG A 35 12.347 4.179 1.135 1.00 0.00 H new ATOM 0 HE ARG A 35 14.837 2.806 1.533 1.00 0.00 H new ATOM 0 HH11 ARG A 35 12.589 3.807 -0.997 1.00 0.00 H new ATOM 0 HH12 ARG A 35 13.848 3.921 -2.231 1.00 0.00 H new ATOM 0 HH21 ARG A 35 16.449 2.953 -0.058 1.00 0.00 H new ATOM 0 HH22 ARG A 35 16.023 3.440 -1.702 1.00 0.00 H new ATOM 549 N THR A 36 8.120 4.478 2.928 1.00 0.00 N ATOM 550 CA THR A 36 6.680 4.292 2.809 1.00 0.00 C ATOM 551 C THR A 36 6.183 4.715 1.432 1.00 0.00 C ATOM 552 O THR A 36 6.234 5.893 1.076 1.00 0.00 O ATOM 553 CB THR A 36 5.920 5.090 3.885 1.00 0.00 C ATOM 554 OG1 THR A 36 6.479 6.403 4.007 1.00 0.00 O ATOM 555 CG2 THR A 36 5.979 4.381 5.229 1.00 0.00 C ATOM 0 H THR A 36 8.466 5.355 2.537 1.00 0.00 H new ATOM 0 HA THR A 36 6.486 3.229 2.951 1.00 0.00 H new ATOM 0 HB THR A 36 4.877 5.166 3.579 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.267 6.370 4.589 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.435 4.964 5.972 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.526 3.394 5.140 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.018 4.276 5.540 1.00 0.00 H new ATOM 563 N THR A 37 5.701 3.747 0.658 1.00 0.00 N ATOM 564 CA THR A 37 5.194 4.019 -0.681 1.00 0.00 C ATOM 565 C THR A 37 4.469 2.806 -1.252 1.00 0.00 C ATOM 566 O THR A 37 4.892 1.667 -1.055 1.00 0.00 O ATOM 567 CB THR A 37 6.331 4.422 -1.640 1.00 0.00 C ATOM 568 OG1 THR A 37 7.541 3.749 -1.275 1.00 0.00 O ATOM 569 CG2 THR A 37 6.553 5.926 -1.614 1.00 0.00 C ATOM 0 H THR A 37 5.651 2.767 0.936 1.00 0.00 H new ATOM 0 HA THR A 37 4.492 4.848 -0.591 1.00 0.00 H new ATOM 0 HB THR A 37 6.045 4.131 -2.651 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.258 4.009 -1.890 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.360 6.187 -2.299 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.639 6.434 -1.921 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.819 6.237 -0.604 1.00 0.00 H new ATOM 577 N VAL A 38 3.373 3.058 -1.961 1.00 0.00 N ATOM 578 CA VAL A 38 2.589 1.986 -2.562 1.00 0.00 C ATOM 579 C VAL A 38 3.490 0.879 -3.097 1.00 0.00 C ATOM 580 O VAL A 38 3.162 -0.303 -3.001 1.00 0.00 O ATOM 581 CB VAL A 38 1.705 2.512 -3.709 1.00 0.00 C ATOM 582 CG1 VAL A 38 0.969 1.365 -4.385 1.00 0.00 C ATOM 583 CG2 VAL A 38 0.725 3.554 -3.190 1.00 0.00 C ATOM 0 H VAL A 38 3.008 3.995 -2.133 1.00 0.00 H new ATOM 0 HA VAL A 38 1.950 1.583 -1.776 1.00 0.00 H new ATOM 0 HB VAL A 38 2.346 2.987 -4.451 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.350 1.756 -5.192 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.692 0.658 -4.792 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.337 0.858 -3.656 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.108 3.915 -4.013 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.087 3.106 -2.428 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.277 4.388 -2.757 1.00 0.00 H new ATOM 593 N GLU A 39 4.629 1.271 -3.661 1.00 0.00 N ATOM 594 CA GLU A 39 5.578 0.311 -4.212 1.00 0.00 C ATOM 595 C GLU A 39 6.261 -0.478 -3.099 1.00 0.00 C ATOM 596 O GLU A 39 6.458 -1.688 -3.212 1.00 0.00 O ATOM 597 CB GLU A 39 6.628 1.029 -5.062 1.00 0.00 C ATOM 598 CG GLU A 39 7.496 1.994 -4.270 1.00 0.00 C ATOM 599 CD GLU A 39 8.608 2.597 -5.105 1.00 0.00 C ATOM 600 OE1 GLU A 39 9.526 1.848 -5.501 1.00 0.00 O ATOM 601 OE2 GLU A 39 8.562 3.818 -5.363 1.00 0.00 O ATOM 0 H GLU A 39 4.916 2.246 -3.748 1.00 0.00 H new ATOM 0 HA GLU A 39 5.026 -0.386 -4.842 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.267 0.286 -5.539 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.125 1.576 -5.860 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.872 2.794 -3.870 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.929 1.471 -3.417 1.00 0.00 H new ATOM 608 N ASP A 40 6.621 0.216 -2.025 1.00 0.00 N ATOM 609 CA ASP A 40 7.282 -0.419 -0.890 1.00 0.00 C ATOM 610 C ASP A 40 6.417 -1.535 -0.312 1.00 0.00 C ATOM 611 O ASP A 40 6.928 -2.492 0.270 1.00 0.00 O ATOM 612 CB ASP A 40 7.591 0.616 0.192 1.00 0.00 C ATOM 613 CG ASP A 40 8.879 1.368 -0.077 1.00 0.00 C ATOM 614 OD1 ASP A 40 9.728 0.841 -0.825 1.00 0.00 O ATOM 615 OD2 ASP A 40 9.039 2.484 0.462 1.00 0.00 O ATOM 0 H ASP A 40 6.466 1.218 -1.916 1.00 0.00 H new ATOM 0 HA ASP A 40 8.217 -0.854 -1.243 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.766 1.326 0.258 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.660 0.117 1.159 1.00 0.00 H new ATOM 620 N PHE A 41 5.105 -1.405 -0.476 1.00 0.00 N ATOM 621 CA PHE A 41 4.169 -2.401 0.031 1.00 0.00 C ATOM 622 C PHE A 41 4.100 -3.607 -0.901 1.00 0.00 C ATOM 623 O PHE A 41 4.155 -4.754 -0.455 1.00 0.00 O ATOM 624 CB PHE A 41 2.776 -1.788 0.193 1.00 0.00 C ATOM 625 CG PHE A 41 1.703 -2.801 0.472 1.00 0.00 C ATOM 626 CD1 PHE A 41 1.305 -3.696 -0.508 1.00 0.00 C ATOM 627 CD2 PHE A 41 1.093 -2.859 1.715 1.00 0.00 C ATOM 628 CE1 PHE A 41 0.318 -4.630 -0.254 1.00 0.00 C ATOM 629 CE2 PHE A 41 0.107 -3.791 1.974 1.00 0.00 C ATOM 630 CZ PHE A 41 -0.282 -4.677 0.988 1.00 0.00 C ATOM 0 H PHE A 41 4.666 -0.620 -0.956 1.00 0.00 H new ATOM 0 HA PHE A 41 4.527 -2.736 1.005 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.800 -1.063 1.006 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.521 -1.241 -0.715 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.771 -3.664 -1.482 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.392 -2.168 2.489 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.017 -5.322 -1.027 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.360 -3.827 2.947 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.054 -5.405 1.189 1.00 0.00 H new ATOM 640 N CYS A 42 3.979 -3.340 -2.197 1.00 0.00 N ATOM 641 CA CYS A 42 3.901 -4.402 -3.193 1.00 0.00 C ATOM 642 C CYS A 42 5.026 -5.414 -2.997 1.00 0.00 C ATOM 643 O CYS A 42 4.843 -6.611 -3.221 1.00 0.00 O ATOM 644 CB CYS A 42 3.968 -3.814 -4.603 1.00 0.00 C ATOM 645 SG CYS A 42 2.524 -2.827 -5.060 1.00 0.00 S ATOM 0 H CYS A 42 3.933 -2.397 -2.582 1.00 0.00 H new ATOM 0 HA CYS A 42 2.948 -4.916 -3.067 1.00 0.00 H new ATOM 0 HB2 CYS A 42 4.860 -3.193 -4.684 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.080 -4.628 -5.320 1.00 0.00 H new ATOM 0 HG CYS A 42 2.528 -1.715 -4.386 1.00 0.00 H new ATOM 651 N MET A 43 6.189 -4.925 -2.580 1.00 0.00 N ATOM 652 CA MET A 43 7.343 -5.788 -2.355 1.00 0.00 C ATOM 653 C MET A 43 7.053 -6.809 -1.260 1.00 0.00 C ATOM 654 O MET A 43 7.313 -8.002 -1.424 1.00 0.00 O ATOM 655 CB MET A 43 8.566 -4.950 -1.976 1.00 0.00 C ATOM 656 CG MET A 43 9.101 -4.104 -3.120 1.00 0.00 C ATOM 657 SD MET A 43 9.750 -5.100 -4.476 1.00 0.00 S ATOM 658 CE MET A 43 8.919 -4.351 -5.874 1.00 0.00 C ATOM 0 H MET A 43 6.357 -3.937 -2.391 1.00 0.00 H new ATOM 0 HA MET A 43 7.551 -6.324 -3.281 1.00 0.00 H new ATOM 0 HB2 MET A 43 8.305 -4.297 -1.143 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.356 -5.614 -1.625 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.304 -3.462 -3.495 1.00 0.00 H new ATOM 0 HG3 MET A 43 9.888 -3.450 -2.746 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.219 -4.859 -6.790 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.840 -4.439 -5.746 1.00 0.00 H new ATOM 0 HE3 MET A 43 9.192 -3.298 -5.938 1.00 0.00 H new ATOM 668 N LYS A 44 6.514 -6.335 -0.142 1.00 0.00 N ATOM 669 CA LYS A 44 6.188 -7.206 0.981 1.00 0.00 C ATOM 670 C LYS A 44 5.423 -8.439 0.508 1.00 0.00 C ATOM 671 O LYS A 44 5.618 -9.538 1.026 1.00 0.00 O ATOM 672 CB LYS A 44 5.360 -6.446 2.019 1.00 0.00 C ATOM 673 CG LYS A 44 6.201 -5.714 3.050 1.00 0.00 C ATOM 674 CD LYS A 44 6.623 -6.635 4.182 1.00 0.00 C ATOM 675 CE LYS A 44 6.793 -5.873 5.487 1.00 0.00 C ATOM 676 NZ LYS A 44 7.326 -6.743 6.572 1.00 0.00 N ATOM 0 H LYS A 44 6.293 -5.351 0.011 1.00 0.00 H new ATOM 0 HA LYS A 44 7.122 -7.532 1.439 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.722 -5.727 1.506 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.702 -7.148 2.531 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.086 -5.298 2.569 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.634 -4.876 3.454 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.877 -7.419 4.312 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.560 -7.127 3.922 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.469 -5.032 5.331 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.833 -5.458 5.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.428 -6.187 7.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.669 -7.532 6.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.254 -7.119 6.291 1.00 0.00 H new ATOM 690 N ILE A 45 4.553 -8.248 -0.478 1.00 0.00 N ATOM 691 CA ILE A 45 3.762 -9.344 -1.022 1.00 0.00 C ATOM 692 C ILE A 45 4.553 -10.131 -2.061 1.00 0.00 C ATOM 693 O ILE A 45 4.858 -11.308 -1.865 1.00 0.00 O ATOM 694 CB ILE A 45 2.458 -8.834 -1.664 1.00 0.00 C ATOM 695 CG1 ILE A 45 1.736 -7.878 -0.712 1.00 0.00 C ATOM 696 CG2 ILE A 45 1.558 -10.002 -2.034 1.00 0.00 C ATOM 697 CD1 ILE A 45 1.451 -8.479 0.646 1.00 0.00 C ATOM 0 H ILE A 45 4.378 -7.344 -0.916 1.00 0.00 H new ATOM 0 HA ILE A 45 3.514 -9.998 -0.186 1.00 0.00 H new ATOM 0 HB ILE A 45 2.707 -8.290 -2.575 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.341 -6.980 -0.583 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.796 -7.566 -1.167 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.641 -9.625 -2.486 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.074 -10.648 -2.744 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.313 -10.571 -1.137 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.938 -7.746 1.268 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.820 -9.360 0.529 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.389 -8.765 1.121 1.00 0.00 H new ATOM 709 N HIS A 46 4.884 -9.473 -3.167 1.00 0.00 N ATOM 710 CA HIS A 46 5.643 -10.110 -4.238 1.00 0.00 C ATOM 711 C HIS A 46 6.577 -9.109 -4.912 1.00 0.00 C ATOM 712 O HIS A 46 6.150 -8.039 -5.345 1.00 0.00 O ATOM 713 CB HIS A 46 4.695 -10.717 -5.272 1.00 0.00 C ATOM 714 CG HIS A 46 5.253 -11.925 -5.960 1.00 0.00 C ATOM 715 ND1 HIS A 46 5.869 -11.872 -7.193 1.00 0.00 N ATOM 716 CD2 HIS A 46 5.287 -13.224 -5.580 1.00 0.00 C ATOM 717 CE1 HIS A 46 6.256 -13.085 -7.542 1.00 0.00 C ATOM 718 NE2 HIS A 46 5.915 -13.924 -6.580 1.00 0.00 N ATOM 0 H HIS A 46 4.639 -8.499 -3.346 1.00 0.00 H new ATOM 0 HA HIS A 46 6.247 -10.904 -3.799 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.760 -10.988 -4.781 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.455 -9.962 -6.020 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.893 -13.633 -4.661 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.765 -13.347 -8.458 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.090 -14.929 -6.580 1.00 0.00 H new ATOM 727 N LYS A 47 7.855 -9.464 -4.997 1.00 0.00 N ATOM 728 CA LYS A 47 8.850 -8.599 -5.618 1.00 0.00 C ATOM 729 C LYS A 47 8.522 -8.360 -7.089 1.00 0.00 C ATOM 730 O LYS A 47 9.116 -7.499 -7.735 1.00 0.00 O ATOM 731 CB LYS A 47 10.244 -9.216 -5.489 1.00 0.00 C ATOM 732 CG LYS A 47 11.267 -8.610 -6.435 1.00 0.00 C ATOM 733 CD LYS A 47 12.664 -9.143 -6.161 1.00 0.00 C ATOM 734 CE LYS A 47 13.733 -8.215 -6.717 1.00 0.00 C ATOM 735 NZ LYS A 47 14.146 -7.186 -5.724 1.00 0.00 N ATOM 0 H LYS A 47 8.226 -10.346 -4.643 1.00 0.00 H new ATOM 0 HA LYS A 47 8.835 -7.640 -5.100 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.593 -9.094 -4.464 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.177 -10.287 -5.678 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.988 -8.831 -7.465 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.263 -7.525 -6.330 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.806 -9.261 -5.087 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.771 -10.132 -6.607 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.602 -8.801 -7.016 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.356 -7.723 -7.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.876 -6.574 -6.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.322 -6.610 -5.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.529 -7.654 -4.878 1.00 0.00 H new ATOM 749 N ASN A 48 7.571 -9.129 -7.610 1.00 0.00 N ATOM 750 CA ASN A 48 7.163 -9.000 -9.004 1.00 0.00 C ATOM 751 C ASN A 48 5.689 -8.621 -9.107 1.00 0.00 C ATOM 752 O ASN A 48 5.016 -8.960 -10.082 1.00 0.00 O ATOM 753 CB ASN A 48 7.419 -10.309 -9.755 1.00 0.00 C ATOM 754 CG ASN A 48 8.731 -10.956 -9.358 1.00 0.00 C ATOM 755 OD1 ASN A 48 8.755 -12.082 -8.860 1.00 0.00 O ATOM 756 ND2 ASN A 48 9.832 -10.246 -9.576 1.00 0.00 N ATOM 0 H ASN A 48 7.069 -9.847 -7.088 1.00 0.00 H new ATOM 0 HA ASN A 48 7.756 -8.206 -9.458 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.601 -11.003 -9.560 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.423 -10.115 -10.828 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.744 -10.630 -9.328 1.00 0.00 H new ATOM 0 HD22 ASN A 48 9.766 -9.317 -9.991 1.00 0.00 H new ATOM 763 N LEU A 49 5.193 -7.917 -8.096 1.00 0.00 N ATOM 764 CA LEU A 49 3.798 -7.491 -8.072 1.00 0.00 C ATOM 765 C LEU A 49 3.659 -6.055 -8.569 1.00 0.00 C ATOM 766 O LEU A 49 2.643 -5.689 -9.161 1.00 0.00 O ATOM 767 CB LEU A 49 3.232 -7.609 -6.656 1.00 0.00 C ATOM 768 CG LEU A 49 1.955 -6.817 -6.375 1.00 0.00 C ATOM 769 CD1 LEU A 49 0.836 -7.262 -7.303 1.00 0.00 C ATOM 770 CD2 LEU A 49 1.539 -6.975 -4.920 1.00 0.00 C ATOM 0 H LEU A 49 5.736 -7.629 -7.282 1.00 0.00 H new ATOM 0 HA LEU A 49 3.233 -8.143 -8.738 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.035 -8.661 -6.452 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.999 -7.285 -5.952 1.00 0.00 H new ATOM 0 HG LEU A 49 2.156 -5.762 -6.562 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.065 -6.687 -7.088 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.134 -7.096 -8.338 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.635 -8.322 -7.149 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.628 -6.404 -4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.356 -8.028 -4.706 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.334 -6.606 -4.272 1.00 0.00 H new ATOM 782 N ILE A 50 4.686 -5.248 -8.326 1.00 0.00 N ATOM 783 CA ILE A 50 4.679 -3.854 -8.752 1.00 0.00 C ATOM 784 C ILE A 50 4.551 -3.743 -10.267 1.00 0.00 C ATOM 785 O ILE A 50 3.916 -2.822 -10.782 1.00 0.00 O ATOM 786 CB ILE A 50 5.955 -3.121 -8.300 1.00 0.00 C ATOM 787 CG1 ILE A 50 5.906 -1.653 -8.729 1.00 0.00 C ATOM 788 CG2 ILE A 50 7.189 -3.804 -8.872 1.00 0.00 C ATOM 789 CD1 ILE A 50 5.047 -0.790 -7.832 1.00 0.00 C ATOM 0 H ILE A 50 5.533 -5.535 -7.836 1.00 0.00 H new ATOM 0 HA ILE A 50 3.815 -3.385 -8.282 1.00 0.00 H new ATOM 0 HB ILE A 50 6.012 -3.160 -7.212 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.920 -1.253 -8.742 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.526 -1.593 -9.749 1.00 0.00 H new ATOM 0 HG21 ILE A 50 8.083 -3.274 -8.544 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.229 -4.835 -8.522 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.140 -3.792 -9.961 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.059 0.237 -8.196 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.024 -1.165 -7.837 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.439 -0.819 -6.815 1.00 0.00 H new ATOM 801 N LYS A 51 5.157 -4.688 -10.978 1.00 0.00 N ATOM 802 CA LYS A 51 5.110 -4.700 -12.435 1.00 0.00 C ATOM 803 C LYS A 51 3.676 -4.849 -12.931 1.00 0.00 C ATOM 804 O LYS A 51 3.299 -4.269 -13.949 1.00 0.00 O ATOM 805 CB LYS A 51 5.972 -5.838 -12.984 1.00 0.00 C ATOM 806 CG LYS A 51 7.438 -5.731 -12.600 1.00 0.00 C ATOM 807 CD LYS A 51 8.246 -6.894 -13.153 1.00 0.00 C ATOM 808 CE LYS A 51 8.056 -8.151 -12.318 1.00 0.00 C ATOM 809 NZ LYS A 51 8.632 -9.351 -12.985 1.00 0.00 N ATOM 0 H LYS A 51 5.687 -5.457 -10.568 1.00 0.00 H new ATOM 0 HA LYS A 51 5.503 -3.749 -12.795 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.579 -6.788 -12.622 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.890 -5.853 -14.071 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.846 -4.792 -12.975 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.530 -5.707 -11.514 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.945 -7.091 -14.182 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.302 -6.627 -13.175 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.527 -8.015 -11.345 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.993 -8.310 -12.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.952 -10.136 -12.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.834 -9.131 -13.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.513 -9.625 -12.505 1.00 0.00 H new ATOM 823 N GLU A 52 2.881 -5.629 -12.206 1.00 0.00 N ATOM 824 CA GLU A 52 1.488 -5.853 -12.574 1.00 0.00 C ATOM 825 C GLU A 52 0.569 -4.879 -11.842 1.00 0.00 C ATOM 826 O GLU A 52 -0.620 -4.782 -12.147 1.00 0.00 O ATOM 827 CB GLU A 52 1.078 -7.293 -12.257 1.00 0.00 C ATOM 828 CG GLU A 52 2.111 -8.325 -12.677 1.00 0.00 C ATOM 829 CD GLU A 52 2.063 -8.628 -14.162 1.00 0.00 C ATOM 830 OE1 GLU A 52 2.544 -7.791 -14.954 1.00 0.00 O ATOM 831 OE2 GLU A 52 1.545 -9.702 -14.532 1.00 0.00 O ATOM 0 H GLU A 52 3.178 -6.116 -11.360 1.00 0.00 H new ATOM 0 HA GLU A 52 1.391 -5.683 -13.646 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.900 -7.384 -11.185 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.134 -7.512 -12.756 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.106 -7.965 -12.416 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.948 -9.246 -12.117 1.00 0.00 H new ATOM 838 N PHE A 53 1.128 -4.159 -10.875 1.00 0.00 N ATOM 839 CA PHE A 53 0.360 -3.194 -10.098 1.00 0.00 C ATOM 840 C PHE A 53 -0.211 -2.102 -10.999 1.00 0.00 C ATOM 841 O PHE A 53 0.529 -1.397 -11.685 1.00 0.00 O ATOM 842 CB PHE A 53 1.236 -2.568 -9.012 1.00 0.00 C ATOM 843 CG PHE A 53 0.746 -1.228 -8.543 1.00 0.00 C ATOM 844 CD1 PHE A 53 -0.299 -1.136 -7.638 1.00 0.00 C ATOM 845 CD2 PHE A 53 1.329 -0.060 -9.009 1.00 0.00 C ATOM 846 CE1 PHE A 53 -0.753 0.096 -7.205 1.00 0.00 C ATOM 847 CE2 PHE A 53 0.879 1.174 -8.579 1.00 0.00 C ATOM 848 CZ PHE A 53 -0.164 1.252 -7.677 1.00 0.00 C ATOM 0 H PHE A 53 2.111 -4.226 -10.611 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.469 -3.722 -9.626 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.285 -3.246 -8.160 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.252 -2.461 -9.393 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.764 -2.037 -7.267 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.144 -0.115 -9.716 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.568 0.154 -6.498 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.343 2.077 -8.948 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.518 2.216 -7.342 1.00 0.00 H new ATOM 858 N LYS A 54 -1.533 -1.968 -10.991 1.00 0.00 N ATOM 859 CA LYS A 54 -2.205 -0.963 -11.806 1.00 0.00 C ATOM 860 C LYS A 54 -2.371 0.342 -11.033 1.00 0.00 C ATOM 861 O LYS A 54 -1.786 1.365 -11.390 1.00 0.00 O ATOM 862 CB LYS A 54 -3.573 -1.476 -12.260 1.00 0.00 C ATOM 863 CG LYS A 54 -4.130 -0.739 -13.466 1.00 0.00 C ATOM 864 CD LYS A 54 -5.495 -1.275 -13.865 1.00 0.00 C ATOM 865 CE LYS A 54 -6.285 -0.248 -14.661 1.00 0.00 C ATOM 866 NZ LYS A 54 -7.368 -0.881 -15.464 1.00 0.00 N ATOM 0 H LYS A 54 -2.160 -2.543 -10.429 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.587 -0.770 -12.683 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.493 -2.537 -12.498 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.278 -1.387 -11.433 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.207 0.324 -13.240 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.440 -0.837 -14.304 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.372 -2.181 -14.458 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.054 -1.553 -12.971 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.719 0.484 -13.980 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.611 0.294 -15.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.883 -0.148 -15.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.953 -1.561 -16.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.026 -1.377 -14.829 1.00 0.00 H new ATOM 880 N TYR A 55 -3.170 0.298 -9.973 1.00 0.00 N ATOM 881 CA TYR A 55 -3.413 1.477 -9.150 1.00 0.00 C ATOM 882 C TYR A 55 -3.764 1.080 -7.719 1.00 0.00 C ATOM 883 O TYR A 55 -3.889 -0.103 -7.404 1.00 0.00 O ATOM 884 CB TYR A 55 -4.540 2.319 -9.749 1.00 0.00 C ATOM 885 CG TYR A 55 -5.864 1.593 -9.825 1.00 0.00 C ATOM 886 CD1 TYR A 55 -6.664 1.445 -8.698 1.00 0.00 C ATOM 887 CD2 TYR A 55 -6.315 1.052 -11.023 1.00 0.00 C ATOM 888 CE1 TYR A 55 -7.874 0.782 -8.762 1.00 0.00 C ATOM 889 CE2 TYR A 55 -7.524 0.388 -11.097 1.00 0.00 C ATOM 890 CZ TYR A 55 -8.300 0.255 -9.964 1.00 0.00 C ATOM 891 OH TYR A 55 -9.504 -0.407 -10.033 1.00 0.00 O ATOM 0 H TYR A 55 -3.660 -0.541 -9.663 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.498 2.069 -9.129 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.664 3.222 -9.152 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.252 2.637 -10.751 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.334 1.856 -7.755 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.710 1.152 -11.912 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.483 0.677 -7.876 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -7.860 -0.025 -12.037 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.656 -0.715 -10.951 1.00 0.00 H new ATOM 901 N ALA A 56 -3.923 2.079 -6.857 1.00 0.00 N ATOM 902 CA ALA A 56 -4.263 1.836 -5.461 1.00 0.00 C ATOM 903 C ALA A 56 -5.356 2.788 -4.988 1.00 0.00 C ATOM 904 O ALA A 56 -5.301 3.991 -5.247 1.00 0.00 O ATOM 905 CB ALA A 56 -3.026 1.974 -4.585 1.00 0.00 C ATOM 0 H ALA A 56 -3.822 3.064 -7.101 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.643 0.818 -5.378 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.294 1.790 -3.545 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.275 1.250 -4.900 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.622 2.982 -4.683 1.00 0.00 H new ATOM 911 N LEU A 57 -6.350 2.243 -4.295 1.00 0.00 N ATOM 912 CA LEU A 57 -7.458 3.044 -3.787 1.00 0.00 C ATOM 913 C LEU A 57 -7.307 3.294 -2.290 1.00 0.00 C ATOM 914 O LEU A 57 -7.640 2.438 -1.469 1.00 0.00 O ATOM 915 CB LEU A 57 -8.789 2.344 -4.066 1.00 0.00 C ATOM 916 CG LEU A 57 -8.994 1.838 -5.495 1.00 0.00 C ATOM 917 CD1 LEU A 57 -10.088 0.782 -5.535 1.00 0.00 C ATOM 918 CD2 LEU A 57 -9.331 2.993 -6.426 1.00 0.00 C ATOM 0 H LEU A 57 -6.411 1.250 -4.072 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.445 4.005 -4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.881 1.498 -3.385 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.597 3.035 -3.827 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.064 1.382 -5.836 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.220 0.434 -6.559 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.807 -0.058 -4.900 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.022 1.212 -5.175 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.473 2.615 -7.438 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.247 3.478 -6.088 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.515 3.715 -6.420 1.00 0.00 H new ATOM 930 N VAL A 58 -6.804 4.474 -1.940 1.00 0.00 N ATOM 931 CA VAL A 58 -6.611 4.839 -0.541 1.00 0.00 C ATOM 932 C VAL A 58 -7.911 5.336 0.080 1.00 0.00 C ATOM 933 O VAL A 58 -8.652 6.103 -0.535 1.00 0.00 O ATOM 934 CB VAL A 58 -5.532 5.927 -0.389 1.00 0.00 C ATOM 935 CG1 VAL A 58 -5.289 6.236 1.081 1.00 0.00 C ATOM 936 CG2 VAL A 58 -4.243 5.498 -1.072 1.00 0.00 C ATOM 0 H VAL A 58 -6.523 5.194 -2.606 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.284 3.939 -0.020 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.887 6.837 -0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.524 7.007 1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.214 6.590 1.536 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.955 5.333 1.592 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.492 6.279 -0.955 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.881 4.575 -0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.431 5.332 -2.133 1.00 0.00 H new ATOM 946 N TRP A 59 -8.182 4.896 1.303 1.00 0.00 N ATOM 947 CA TRP A 59 -9.393 5.297 2.010 1.00 0.00 C ATOM 948 C TRP A 59 -9.054 5.949 3.346 1.00 0.00 C ATOM 949 O TRP A 59 -9.825 5.865 4.301 1.00 0.00 O ATOM 950 CB TRP A 59 -10.302 4.088 2.234 1.00 0.00 C ATOM 951 CG TRP A 59 -11.010 3.638 0.992 1.00 0.00 C ATOM 952 CD1 TRP A 59 -12.104 4.219 0.416 1.00 0.00 C ATOM 953 CD2 TRP A 59 -10.675 2.512 0.174 1.00 0.00 C ATOM 954 NE1 TRP A 59 -12.469 3.522 -0.710 1.00 0.00 N ATOM 955 CE2 TRP A 59 -11.608 2.471 -0.881 1.00 0.00 C ATOM 956 CE3 TRP A 59 -9.677 1.535 0.229 1.00 0.00 C ATOM 957 CZ2 TRP A 59 -11.570 1.491 -1.870 1.00 0.00 C ATOM 958 CZ3 TRP A 59 -9.641 0.564 -0.753 1.00 0.00 C ATOM 959 CH2 TRP A 59 -10.582 0.548 -1.791 1.00 0.00 C ATOM 0 H TRP A 59 -7.579 4.261 1.826 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.918 6.027 1.394 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -9.707 3.262 2.623 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -11.041 4.335 2.996 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -12.608 5.098 0.791 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -13.254 3.750 -1.320 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.947 1.539 1.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -12.295 1.476 -2.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -8.874 -0.196 -0.720 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -10.526 -0.224 -2.544 1.00 0.00 H new ATOM 970 N GLY A 60 -7.895 6.598 3.406 1.00 0.00 N ATOM 971 CA GLY A 60 -7.475 7.254 4.630 1.00 0.00 C ATOM 972 C GLY A 60 -7.433 8.763 4.494 1.00 0.00 C ATOM 973 O GLY A 60 -7.878 9.316 3.488 1.00 0.00 O ATOM 0 H GLY A 60 -7.240 6.681 2.629 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.157 6.984 5.436 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.487 6.890 4.913 1.00 0.00 H new ATOM 977 N LEU A 61 -6.897 9.432 5.509 1.00 0.00 N ATOM 978 CA LEU A 61 -6.799 10.887 5.500 1.00 0.00 C ATOM 979 C LEU A 61 -5.728 11.355 4.519 1.00 0.00 C ATOM 980 O LEU A 61 -5.653 12.537 4.184 1.00 0.00 O ATOM 981 CB LEU A 61 -6.483 11.406 6.903 1.00 0.00 C ATOM 982 CG LEU A 61 -7.579 11.216 7.952 1.00 0.00 C ATOM 983 CD1 LEU A 61 -7.743 9.743 8.292 1.00 0.00 C ATOM 984 CD2 LEU A 61 -7.265 12.023 9.204 1.00 0.00 C ATOM 0 H LEU A 61 -6.524 8.990 6.349 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.760 11.289 5.179 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.579 10.910 7.257 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.256 12.470 6.832 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.519 11.579 7.537 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.527 9.627 9.040 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.015 9.190 7.393 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.805 9.354 8.687 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.056 11.876 9.940 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.314 11.691 9.622 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.200 13.081 8.948 1.00 0.00 H new ATOM 996 N SER A 62 -4.904 10.419 4.061 1.00 0.00 N ATOM 997 CA SER A 62 -3.836 10.735 3.119 1.00 0.00 C ATOM 998 C SER A 62 -4.409 11.204 1.785 1.00 0.00 C ATOM 999 O SER A 62 -3.673 11.633 0.897 1.00 0.00 O ATOM 1000 CB SER A 62 -2.941 9.513 2.901 1.00 0.00 C ATOM 1001 OG SER A 62 -3.686 8.421 2.390 1.00 0.00 O ATOM 0 H SER A 62 -4.955 9.435 4.327 1.00 0.00 H new ATOM 0 HA SER A 62 -3.239 11.543 3.542 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.138 9.765 2.209 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.472 9.229 3.843 1.00 0.00 H new ATOM 0 HG SER A 62 -3.357 7.587 2.785 1.00 0.00 H new ATOM 1007 N VAL A 63 -5.729 11.120 1.653 1.00 0.00 N ATOM 1008 CA VAL A 63 -6.403 11.536 0.429 1.00 0.00 C ATOM 1009 C VAL A 63 -7.525 12.524 0.729 1.00 0.00 C ATOM 1010 O VAL A 63 -7.967 12.652 1.870 1.00 0.00 O ATOM 1011 CB VAL A 63 -6.986 10.329 -0.330 1.00 0.00 C ATOM 1012 CG1 VAL A 63 -5.881 9.558 -1.035 1.00 0.00 C ATOM 1013 CG2 VAL A 63 -7.756 9.425 0.620 1.00 0.00 C ATOM 0 H VAL A 63 -6.353 10.768 2.379 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.653 12.020 -0.196 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.679 10.697 -1.087 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.311 8.709 -1.566 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -5.377 10.213 -1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.161 9.199 -0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.161 8.577 0.067 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.087 9.063 1.400 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.573 9.986 1.074 1.00 0.00 H new ATOM 1023 N LYS A 64 -7.982 13.223 -0.305 1.00 0.00 N ATOM 1024 CA LYS A 64 -9.055 14.199 -0.155 1.00 0.00 C ATOM 1025 C LYS A 64 -10.412 13.564 -0.438 1.00 0.00 C ATOM 1026 O LYS A 64 -11.361 13.735 0.329 1.00 0.00 O ATOM 1027 CB LYS A 64 -8.828 15.385 -1.096 1.00 0.00 C ATOM 1028 CG LYS A 64 -7.684 16.289 -0.670 1.00 0.00 C ATOM 1029 CD LYS A 64 -6.342 15.742 -1.126 1.00 0.00 C ATOM 1030 CE LYS A 64 -5.190 16.584 -0.598 1.00 0.00 C ATOM 1031 NZ LYS A 64 -5.027 16.440 0.875 1.00 0.00 N ATOM 0 H LYS A 64 -7.626 13.131 -1.256 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.048 14.554 0.876 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.629 15.009 -2.099 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.744 15.974 -1.152 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.832 17.286 -1.086 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.686 16.393 0.415 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.231 14.714 -0.782 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.308 15.719 -2.215 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.266 16.289 -1.096 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.364 17.632 -0.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.129 16.874 1.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.816 16.914 1.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.022 15.431 1.127 1.00 0.00 H new ATOM 1045 N HIS A 65 -10.498 12.830 -1.543 1.00 0.00 N ATOM 1046 CA HIS A 65 -11.740 12.168 -1.926 1.00 0.00 C ATOM 1047 C HIS A 65 -11.478 10.728 -2.356 1.00 0.00 C ATOM 1048 O HIS A 65 -10.799 10.482 -3.352 1.00 0.00 O ATOM 1049 CB HIS A 65 -12.424 12.934 -3.059 1.00 0.00 C ATOM 1050 CG HIS A 65 -12.618 14.390 -2.765 1.00 0.00 C ATOM 1051 ND1 HIS A 65 -13.260 14.850 -1.634 1.00 0.00 N ATOM 1052 CD2 HIS A 65 -12.250 15.490 -3.462 1.00 0.00 C ATOM 1053 CE1 HIS A 65 -13.279 16.171 -1.649 1.00 0.00 C ATOM 1054 NE2 HIS A 65 -12.672 16.585 -2.747 1.00 0.00 N ATOM 0 H HIS A 65 -9.723 12.679 -2.189 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.398 12.156 -1.057 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.830 12.831 -3.967 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -13.394 12.480 -3.260 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -11.723 15.505 -4.405 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -13.717 16.805 -0.892 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -12.538 17.559 -3.020 1.00 0.00 H new ATOM 1063 N ASN A 66 -12.020 9.780 -1.598 1.00 0.00 N ATOM 1064 CA ASN A 66 -11.842 8.365 -1.900 1.00 0.00 C ATOM 1065 C ASN A 66 -13.162 7.731 -2.331 1.00 0.00 C ATOM 1066 O ASN A 66 -14.246 8.245 -2.053 1.00 0.00 O ATOM 1067 CB ASN A 66 -11.284 7.627 -0.682 1.00 0.00 C ATOM 1068 CG ASN A 66 -11.744 8.241 0.627 1.00 0.00 C ATOM 1069 OD1 ASN A 66 -12.889 8.676 0.752 1.00 0.00 O ATOM 1070 ND2 ASN A 66 -10.851 8.279 1.609 1.00 0.00 N ATOM 0 H ASN A 66 -12.586 9.967 -0.770 1.00 0.00 H new ATOM 0 HA ASN A 66 -11.132 8.282 -2.723 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.595 6.583 -0.719 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.195 7.637 -0.722 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -11.103 8.681 2.512 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.913 7.906 1.460 1.00 0.00 H new ATOM 1077 N PRO A 67 -13.070 6.588 -3.026 1.00 0.00 N ATOM 1078 CA PRO A 67 -11.785 5.967 -3.364 1.00 0.00 C ATOM 1079 C PRO A 67 -11.007 6.773 -4.398 1.00 0.00 C ATOM 1080 O PRO A 67 -11.525 7.092 -5.467 1.00 0.00 O ATOM 1081 CB PRO A 67 -12.188 4.607 -3.938 1.00 0.00 C ATOM 1082 CG PRO A 67 -13.572 4.808 -4.454 1.00 0.00 C ATOM 1083 CD PRO A 67 -14.213 5.812 -3.537 1.00 0.00 C ATOM 0 HA PRO A 67 -11.124 5.900 -2.500 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.510 4.296 -4.733 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.159 3.831 -3.174 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.557 5.172 -5.481 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.128 3.870 -4.456 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -14.923 6.446 -4.069 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -14.761 5.326 -2.730 1.00 0.00 H new ATOM 1091 N GLN A 68 -9.760 7.098 -4.071 1.00 0.00 N ATOM 1092 CA GLN A 68 -8.910 7.867 -4.973 1.00 0.00 C ATOM 1093 C GLN A 68 -7.917 6.960 -5.691 1.00 0.00 C ATOM 1094 O GLN A 68 -7.349 6.046 -5.092 1.00 0.00 O ATOM 1095 CB GLN A 68 -8.161 8.953 -4.200 1.00 0.00 C ATOM 1096 CG GLN A 68 -7.539 10.016 -5.091 1.00 0.00 C ATOM 1097 CD GLN A 68 -7.105 11.245 -4.318 1.00 0.00 C ATOM 1098 OE1 GLN A 68 -5.856 11.251 -3.866 1.00 0.00 O flip ATOM 1099 NE2 GLN A 68 -7.883 12.181 -4.129 1.00 0.00 N flip ATOM 0 H GLN A 68 -9.316 6.841 -3.189 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.549 8.338 -5.720 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.850 9.432 -3.504 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.377 8.487 -3.603 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.677 9.593 -5.607 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.257 10.308 -5.857 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.834 12.135 -4.494 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -7.576 13.002 -3.608 1.00 0.00 H new ATOM 1108 N LYS A 69 -7.712 7.217 -6.979 1.00 0.00 N ATOM 1109 CA LYS A 69 -6.786 6.425 -7.779 1.00 0.00 C ATOM 1110 C LYS A 69 -5.367 6.974 -7.674 1.00 0.00 C ATOM 1111 O LYS A 69 -5.081 8.077 -8.141 1.00 0.00 O ATOM 1112 CB LYS A 69 -7.230 6.409 -9.244 1.00 0.00 C ATOM 1113 CG LYS A 69 -6.689 5.229 -10.031 1.00 0.00 C ATOM 1114 CD LYS A 69 -7.366 5.105 -11.386 1.00 0.00 C ATOM 1115 CE LYS A 69 -8.668 4.323 -11.289 1.00 0.00 C ATOM 1116 NZ LYS A 69 -9.536 4.542 -12.479 1.00 0.00 N ATOM 0 H LYS A 69 -8.175 7.968 -7.491 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.792 5.406 -7.392 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.319 6.393 -9.285 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.907 7.333 -9.723 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.614 5.345 -10.170 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.840 4.311 -9.462 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.566 6.099 -11.786 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.694 4.609 -12.086 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.447 3.260 -11.191 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.205 4.621 -10.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.413 3.993 -12.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.768 5.553 -12.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.034 4.234 -13.336 1.00 0.00 H new ATOM 1130 N VAL A 70 -4.481 6.198 -7.058 1.00 0.00 N ATOM 1131 CA VAL A 70 -3.091 6.606 -6.893 1.00 0.00 C ATOM 1132 C VAL A 70 -2.152 5.682 -7.661 1.00 0.00 C ATOM 1133 O VAL A 70 -2.561 4.627 -8.144 1.00 0.00 O ATOM 1134 CB VAL A 70 -2.681 6.618 -5.409 1.00 0.00 C ATOM 1135 CG1 VAL A 70 -3.553 7.584 -4.622 1.00 0.00 C ATOM 1136 CG2 VAL A 70 -2.762 5.216 -4.823 1.00 0.00 C ATOM 0 H VAL A 70 -4.701 5.283 -6.665 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.009 7.617 -7.293 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.648 6.958 -5.338 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.249 7.579 -3.575 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.440 8.589 -5.028 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.596 7.277 -4.698 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.469 5.243 -3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.784 4.846 -4.905 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.091 4.554 -5.370 1.00 0.00 H new ATOM 1146 N GLY A 71 -0.890 6.087 -7.770 1.00 0.00 N ATOM 1147 CA GLY A 71 0.088 5.283 -8.480 1.00 0.00 C ATOM 1148 C GLY A 71 0.985 4.500 -7.543 1.00 0.00 C ATOM 1149 O GLY A 71 0.555 4.072 -6.472 1.00 0.00 O ATOM 0 H GLY A 71 -0.528 6.957 -7.380 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.429 4.592 -9.145 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.700 5.931 -9.107 1.00 0.00 H new ATOM 1153 N LYS A 72 2.237 4.310 -7.946 1.00 0.00 N ATOM 1154 CA LYS A 72 3.199 3.573 -7.136 1.00 0.00 C ATOM 1155 C LYS A 72 4.092 4.527 -6.349 1.00 0.00 C ATOM 1156 O LYS A 72 4.813 4.111 -5.442 1.00 0.00 O ATOM 1157 CB LYS A 72 4.057 2.668 -8.023 1.00 0.00 C ATOM 1158 CG LYS A 72 4.881 3.426 -9.049 1.00 0.00 C ATOM 1159 CD LYS A 72 5.861 2.511 -9.763 1.00 0.00 C ATOM 1160 CE LYS A 72 6.733 3.283 -10.742 1.00 0.00 C ATOM 1161 NZ LYS A 72 7.934 3.862 -10.078 1.00 0.00 N ATOM 0 H LYS A 72 2.609 4.657 -8.830 1.00 0.00 H new ATOM 0 HA LYS A 72 2.644 2.957 -6.429 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.726 2.084 -7.392 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.409 1.961 -8.541 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.218 3.890 -9.779 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.426 4.231 -8.556 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.492 2.009 -9.030 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.313 1.734 -10.297 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.048 2.621 -11.548 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.148 4.083 -11.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.502 4.380 -10.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.634 4.514 -9.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.506 3.097 -9.666 1.00 0.00 H new ATOM 1175 N ASP A 73 4.039 5.806 -6.703 1.00 0.00 N ATOM 1176 CA ASP A 73 4.842 6.820 -6.028 1.00 0.00 C ATOM 1177 C ASP A 73 4.082 7.418 -4.849 1.00 0.00 C ATOM 1178 O ASP A 73 4.667 8.084 -3.993 1.00 0.00 O ATOM 1179 CB ASP A 73 5.238 7.924 -7.010 1.00 0.00 C ATOM 1180 CG ASP A 73 6.223 8.907 -6.409 1.00 0.00 C ATOM 1181 OD1 ASP A 73 5.775 9.873 -5.757 1.00 0.00 O ATOM 1182 OD2 ASP A 73 7.443 8.709 -6.589 1.00 0.00 O ATOM 0 H ASP A 73 3.449 6.166 -7.453 1.00 0.00 H new ATOM 0 HA ASP A 73 5.745 6.341 -5.649 1.00 0.00 H new ATOM 0 HB2 ASP A 73 5.676 7.474 -7.901 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.344 8.459 -7.330 1.00 0.00 H new ATOM 1187 N HIS A 74 2.776 7.179 -4.810 1.00 0.00 N ATOM 1188 CA HIS A 74 1.935 7.695 -3.735 1.00 0.00 C ATOM 1189 C HIS A 74 2.397 7.164 -2.381 1.00 0.00 C ATOM 1190 O HIS A 74 2.417 5.955 -2.150 1.00 0.00 O ATOM 1191 CB HIS A 74 0.474 7.313 -3.974 1.00 0.00 C ATOM 1192 CG HIS A 74 -0.408 7.549 -2.787 1.00 0.00 C ATOM 1193 ND1 HIS A 74 -1.158 8.695 -2.623 1.00 0.00 N ATOM 1194 CD2 HIS A 74 -0.659 6.778 -1.703 1.00 0.00 C ATOM 1195 CE1 HIS A 74 -1.831 8.619 -1.488 1.00 0.00 C ATOM 1196 NE2 HIS A 74 -1.546 7.465 -0.911 1.00 0.00 N ATOM 0 H HIS A 74 2.276 6.631 -5.510 1.00 0.00 H new ATOM 0 HA HIS A 74 2.022 8.781 -3.728 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.091 7.884 -4.820 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.423 6.260 -4.251 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -1.188 9.478 -3.275 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.240 5.804 -1.499 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.500 9.372 -1.098 1.00 0.00 H new ATOM 1205 N THR A 75 2.770 8.077 -1.489 1.00 0.00 N ATOM 1206 CA THR A 75 3.234 7.701 -0.160 1.00 0.00 C ATOM 1207 C THR A 75 2.097 7.126 0.677 1.00 0.00 C ATOM 1208 O THR A 75 0.978 7.642 0.661 1.00 0.00 O ATOM 1209 CB THR A 75 3.846 8.904 0.583 1.00 0.00 C ATOM 1210 OG1 THR A 75 4.985 9.394 -0.133 1.00 0.00 O ATOM 1211 CG2 THR A 75 4.256 8.516 1.995 1.00 0.00 C ATOM 0 H THR A 75 2.760 9.082 -1.664 1.00 0.00 H new ATOM 0 HA THR A 75 4.002 6.939 -0.297 1.00 0.00 H new ATOM 0 HB THR A 75 3.091 9.688 0.644 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.367 10.160 0.345 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.685 9.381 2.500 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.381 8.171 2.546 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.996 7.717 1.952 1.00 0.00 H new ATOM 1219 N LEU A 76 2.389 6.057 1.409 1.00 0.00 N ATOM 1220 CA LEU A 76 1.390 5.412 2.254 1.00 0.00 C ATOM 1221 C LEU A 76 1.369 6.037 3.645 1.00 0.00 C ATOM 1222 O LEU A 76 2.397 6.488 4.149 1.00 0.00 O ATOM 1223 CB LEU A 76 1.675 3.913 2.361 1.00 0.00 C ATOM 1224 CG LEU A 76 1.115 3.042 1.235 1.00 0.00 C ATOM 1225 CD1 LEU A 76 1.811 1.690 1.211 1.00 0.00 C ATOM 1226 CD2 LEU A 76 -0.388 2.867 1.393 1.00 0.00 C ATOM 0 H LEU A 76 3.309 5.618 1.435 1.00 0.00 H new ATOM 0 HA LEU A 76 0.412 5.558 1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.755 3.771 2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.271 3.553 3.307 1.00 0.00 H new ATOM 0 HG LEU A 76 1.304 3.543 0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.400 1.084 0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.879 1.834 1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.653 1.183 2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.769 2.245 0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.600 2.388 2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.873 3.842 1.360 1.00 0.00 H new ATOM 1238 N GLU A 77 0.191 6.058 4.261 1.00 0.00 N ATOM 1239 CA GLU A 77 0.037 6.627 5.595 1.00 0.00 C ATOM 1240 C GLU A 77 -0.495 5.583 6.573 1.00 0.00 C ATOM 1241 O GLU A 77 -1.204 4.656 6.183 1.00 0.00 O ATOM 1242 CB GLU A 77 -0.907 7.831 5.554 1.00 0.00 C ATOM 1243 CG GLU A 77 -0.305 9.053 4.882 1.00 0.00 C ATOM 1244 CD GLU A 77 -0.875 10.353 5.416 1.00 0.00 C ATOM 1245 OE1 GLU A 77 -2.024 10.341 5.904 1.00 0.00 O ATOM 1246 OE2 GLU A 77 -0.171 11.382 5.345 1.00 0.00 O ATOM 0 H GLU A 77 -0.670 5.688 3.858 1.00 0.00 H new ATOM 0 HA GLU A 77 1.018 6.955 5.938 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.819 7.549 5.027 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.195 8.092 6.573 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.775 9.048 5.027 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.483 8.997 3.808 1.00 0.00 H new ATOM 1253 N ASP A 78 -0.146 5.742 7.845 1.00 0.00 N ATOM 1254 CA ASP A 78 -0.588 4.815 8.881 1.00 0.00 C ATOM 1255 C ASP A 78 -2.111 4.753 8.941 1.00 0.00 C ATOM 1256 O ASP A 78 -2.799 5.601 8.373 1.00 0.00 O ATOM 1257 CB ASP A 78 -0.027 5.231 10.241 1.00 0.00 C ATOM 1258 CG ASP A 78 -0.936 4.834 11.388 1.00 0.00 C ATOM 1259 OD1 ASP A 78 -0.956 3.636 11.742 1.00 0.00 O ATOM 1260 OD2 ASP A 78 -1.626 5.721 11.932 1.00 0.00 O ATOM 0 H ASP A 78 0.442 6.504 8.184 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.212 3.823 8.631 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.952 4.774 10.382 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.121 6.311 10.255 1.00 0.00 H new ATOM 1265 N GLU A 79 -2.631 3.744 9.633 1.00 0.00 N ATOM 1266 CA GLU A 79 -4.073 3.572 9.766 1.00 0.00 C ATOM 1267 C GLU A 79 -4.786 3.937 8.467 1.00 0.00 C ATOM 1268 O GLU A 79 -5.765 4.684 8.473 1.00 0.00 O ATOM 1269 CB GLU A 79 -4.608 4.431 10.913 1.00 0.00 C ATOM 1270 CG GLU A 79 -4.241 3.904 12.291 1.00 0.00 C ATOM 1271 CD GLU A 79 -5.090 4.509 13.392 1.00 0.00 C ATOM 1272 OE1 GLU A 79 -6.331 4.390 13.318 1.00 0.00 O ATOM 1273 OE2 GLU A 79 -4.513 5.101 14.328 1.00 0.00 O ATOM 0 H GLU A 79 -2.076 3.034 10.110 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.269 2.523 9.986 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.223 5.445 10.807 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.693 4.493 10.834 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.355 2.820 12.304 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.190 4.116 12.489 1.00 0.00 H new ATOM 1280 N ASP A 80 -4.288 3.406 7.356 1.00 0.00 N ATOM 1281 CA ASP A 80 -4.877 3.674 6.050 1.00 0.00 C ATOM 1282 C ASP A 80 -5.093 2.379 5.274 1.00 0.00 C ATOM 1283 O ASP A 80 -4.310 1.435 5.390 1.00 0.00 O ATOM 1284 CB ASP A 80 -3.981 4.620 5.247 1.00 0.00 C ATOM 1285 CG ASP A 80 -4.725 5.301 4.116 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -5.824 4.829 3.760 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -4.207 6.306 3.585 1.00 0.00 O ATOM 0 H ASP A 80 -3.477 2.787 7.334 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.846 4.148 6.207 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.567 5.377 5.913 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.140 4.060 4.839 1.00 0.00 H new ATOM 1292 N VAL A 81 -6.162 2.339 4.485 1.00 0.00 N ATOM 1293 CA VAL A 81 -6.482 1.159 3.690 1.00 0.00 C ATOM 1294 C VAL A 81 -6.127 1.371 2.223 1.00 0.00 C ATOM 1295 O VAL A 81 -6.352 2.448 1.669 1.00 0.00 O ATOM 1296 CB VAL A 81 -7.975 0.797 3.799 1.00 0.00 C ATOM 1297 CG1 VAL A 81 -8.332 -0.301 2.808 1.00 0.00 C ATOM 1298 CG2 VAL A 81 -8.319 0.378 5.220 1.00 0.00 C ATOM 0 H VAL A 81 -6.821 3.110 4.379 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.887 0.338 4.089 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.564 1.680 3.553 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.391 -0.544 2.900 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.125 0.042 1.794 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.737 -1.189 3.019 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.378 0.126 5.279 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.723 -0.491 5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.103 1.199 5.904 1.00 0.00 H new ATOM 1308 N ILE A 82 -5.571 0.339 1.599 1.00 0.00 N ATOM 1309 CA ILE A 82 -5.186 0.412 0.195 1.00 0.00 C ATOM 1310 C ILE A 82 -5.675 -0.811 -0.574 1.00 0.00 C ATOM 1311 O ILE A 82 -5.757 -1.909 -0.024 1.00 0.00 O ATOM 1312 CB ILE A 82 -3.659 0.529 0.035 1.00 0.00 C ATOM 1313 CG1 ILE A 82 -3.285 0.621 -1.446 1.00 0.00 C ATOM 1314 CG2 ILE A 82 -2.966 -0.657 0.689 1.00 0.00 C ATOM 1315 CD1 ILE A 82 -1.864 1.081 -1.683 1.00 0.00 C ATOM 0 H ILE A 82 -5.377 -0.558 2.043 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.655 1.307 -0.214 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.325 1.440 0.532 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.424 -0.356 -1.909 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.969 1.309 -1.943 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.887 -0.560 0.568 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.211 -0.681 1.751 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.303 -1.580 0.218 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.669 1.123 -2.755 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.725 2.072 -1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.172 0.381 -1.215 1.00 0.00 H new ATOM 1327 N GLN A 83 -5.996 -0.613 -1.848 1.00 0.00 N ATOM 1328 CA GLN A 83 -6.475 -1.701 -2.693 1.00 0.00 C ATOM 1329 C GLN A 83 -5.533 -1.932 -3.870 1.00 0.00 C ATOM 1330 O GLN A 83 -5.471 -1.122 -4.795 1.00 0.00 O ATOM 1331 CB GLN A 83 -7.884 -1.395 -3.204 1.00 0.00 C ATOM 1332 CG GLN A 83 -8.357 -2.349 -4.290 1.00 0.00 C ATOM 1333 CD GLN A 83 -8.852 -3.669 -3.732 1.00 0.00 C ATOM 1334 OE1 GLN A 83 -9.172 -3.775 -2.548 1.00 0.00 O ATOM 1335 NE2 GLN A 83 -8.916 -4.685 -4.584 1.00 0.00 N ATOM 0 H GLN A 83 -5.933 0.290 -2.318 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.504 -2.609 -2.091 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.582 -1.435 -2.368 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.908 -0.376 -3.591 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.157 -1.877 -4.860 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.539 -2.537 -4.985 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.641 -4.553 -5.557 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.240 -5.598 -4.265 1.00 0.00 H new ATOM 1344 N ILE A 84 -4.802 -3.041 -3.828 1.00 0.00 N ATOM 1345 CA ILE A 84 -3.864 -3.378 -4.891 1.00 0.00 C ATOM 1346 C ILE A 84 -4.573 -4.071 -6.050 1.00 0.00 C ATOM 1347 O ILE A 84 -5.007 -5.217 -5.930 1.00 0.00 O ATOM 1348 CB ILE A 84 -2.733 -4.288 -4.377 1.00 0.00 C ATOM 1349 CG1 ILE A 84 -2.019 -3.631 -3.194 1.00 0.00 C ATOM 1350 CG2 ILE A 84 -1.748 -4.591 -5.496 1.00 0.00 C ATOM 1351 CD1 ILE A 84 -1.231 -2.397 -3.573 1.00 0.00 C ATOM 0 H ILE A 84 -4.842 -3.721 -3.069 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.433 -2.440 -5.241 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.168 -5.228 -4.038 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.757 -3.363 -2.438 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.345 -4.357 -2.738 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.954 -5.235 -5.118 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.267 -5.095 -6.311 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.316 -3.660 -5.862 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.752 -1.984 -2.685 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.469 -2.663 -4.306 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.903 -1.653 -4.001 1.00 0.00 H new ATOM 1363 N VAL A 85 -4.685 -3.370 -7.173 1.00 0.00 N ATOM 1364 CA VAL A 85 -5.338 -3.918 -8.356 1.00 0.00 C ATOM 1365 C VAL A 85 -4.333 -4.159 -9.477 1.00 0.00 C ATOM 1366 O VAL A 85 -3.663 -3.234 -9.935 1.00 0.00 O ATOM 1367 CB VAL A 85 -6.449 -2.983 -8.869 1.00 0.00 C ATOM 1368 CG1 VAL A 85 -5.962 -1.542 -8.897 1.00 0.00 C ATOM 1369 CG2 VAL A 85 -6.920 -3.422 -10.247 1.00 0.00 C ATOM 0 H VAL A 85 -4.332 -2.420 -7.289 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.782 -4.868 -8.060 1.00 0.00 H new ATOM 0 HB VAL A 85 -7.296 -3.043 -8.185 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.760 -0.895 -9.262 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.677 -1.234 -7.891 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.099 -1.462 -9.558 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -7.705 -2.750 -10.594 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.083 -3.393 -10.944 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.310 -4.438 -10.191 1.00 0.00 H new ATOM 1379 N LYS A 86 -4.233 -5.409 -9.916 1.00 0.00 N ATOM 1380 CA LYS A 86 -3.312 -5.774 -10.985 1.00 0.00 C ATOM 1381 C LYS A 86 -3.922 -5.484 -12.352 1.00 0.00 C ATOM 1382 O LYS A 86 -5.139 -5.558 -12.529 1.00 0.00 O ATOM 1383 CB LYS A 86 -2.942 -7.256 -10.884 1.00 0.00 C ATOM 1384 CG LYS A 86 -2.383 -7.652 -9.528 1.00 0.00 C ATOM 1385 CD LYS A 86 -2.063 -9.136 -9.470 1.00 0.00 C ATOM 1386 CE LYS A 86 -2.033 -9.644 -8.036 1.00 0.00 C ATOM 1387 NZ LYS A 86 -1.732 -11.101 -7.970 1.00 0.00 N ATOM 0 H LYS A 86 -4.780 -6.187 -9.547 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.410 -5.172 -10.874 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.826 -7.858 -11.093 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.207 -7.492 -11.654 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.481 -7.076 -9.323 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.104 -7.403 -8.749 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.808 -9.692 -10.039 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.098 -9.320 -9.943 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.282 -9.092 -7.471 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.995 -9.450 -7.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.721 -11.408 -6.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.462 -11.630 -8.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.803 -11.283 -8.400 1.00 0.00 H new ATOM 1401 N LYS A 87 -3.071 -5.154 -13.317 1.00 0.00 N ATOM 1402 CA LYS A 87 -3.526 -4.855 -14.670 1.00 0.00 C ATOM 1403 C LYS A 87 -4.587 -5.854 -15.121 1.00 0.00 C ATOM 1404 O LYS A 87 -4.777 -6.897 -14.495 1.00 0.00 O ATOM 1405 CB LYS A 87 -2.345 -4.876 -15.643 1.00 0.00 C ATOM 1406 CG LYS A 87 -1.472 -3.635 -15.568 1.00 0.00 C ATOM 1407 CD LYS A 87 -0.324 -3.700 -16.561 1.00 0.00 C ATOM 1408 CE LYS A 87 0.712 -2.621 -16.285 1.00 0.00 C ATOM 1409 NZ LYS A 87 1.825 -2.655 -17.274 1.00 0.00 N ATOM 0 H LYS A 87 -2.061 -5.087 -13.187 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.969 -3.859 -14.666 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.732 -5.754 -15.438 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.724 -4.982 -16.659 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.077 -2.751 -15.768 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.075 -3.529 -14.558 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.148 -4.681 -16.510 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.710 -3.585 -17.574 1.00 0.00 H new ATOM 0 HE2 LYS A 87 0.233 -1.642 -16.311 1.00 0.00 H new ATOM 0 HE3 LYS A 87 1.114 -2.752 -15.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.510 -1.905 -17.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.299 -3.580 -17.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.445 -2.504 -18.230 1.00 0.00 H new