USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=20 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 62 SER OG : rot 160:sc= 0 USER MOD Set 1.2: A 74 HIS : no HE2:sc= -3.09 K(o=-3.1,f=-4.8!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 30:sc= 0 USER MOD Single : A 16 THR OG1 : rot 119:sc= 0.0643 USER MOD Single : A 17 LYS NZ :NH3+ -164:sc= -0.0393 (180deg=-0.286) USER MOD Single : A 19 LYS NZ :NH3+ 150:sc= -0.0509 (180deg=-1.13) USER MOD Single : A 21 GLN : amide:sc= -0.0613 K(o=-0.061,f=-0.75) USER MOD Single : A 25 TYR OH : rot -30:sc= -0.644 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 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 -80:sc= 0.898 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.322 USER MOD Single : A 42 CYS SG : rot 78:sc= -0.075 USER MOD Single : A 43 MET CE :methyl 179:sc= -0.0697 (180deg=-0.0754) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -1.05 K(o=-1.1,f=-3!) USER MOD Single : A 47 LYS NZ :NH3+ -115:sc= -0.0281 (180deg=-1.18) USER MOD Single : A 48 ASN : amide:sc= -0.0139 X(o=-0.014,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.215 USER MOD Single : A 64 LYS NZ :NH3+ -159:sc= -0.0464 (180deg=-0.255) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 66 ASN : amide:sc= -1.47 K(o=-1.5,f=-4.4!) USER MOD Single : A 68 GLN : amide:sc= -0.629 X(o=-0.63,f=-0.39) 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 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.237 K(o=-0.24,f=-3.3!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -122:sc= 0.524 (180deg=-0.0859) USER MOD ----------------------------------------------------------------- ATOM 106 N LYS A 10 9.221 6.071 13.055 1.00 0.00 N ATOM 107 CA LYS A 10 7.780 5.959 13.248 1.00 0.00 C ATOM 108 C LYS A 10 7.251 4.659 12.650 1.00 0.00 C ATOM 109 O LYS A 10 7.692 4.229 11.584 1.00 0.00 O ATOM 110 CB LYS A 10 7.065 7.153 12.611 1.00 0.00 C ATOM 111 CG LYS A 10 5.551 7.032 12.621 1.00 0.00 C ATOM 112 CD LYS A 10 4.993 7.139 14.030 1.00 0.00 C ATOM 113 CE LYS A 10 4.939 8.584 14.500 1.00 0.00 C ATOM 114 NZ LYS A 10 4.907 8.684 15.985 1.00 0.00 N ATOM 0 HA LYS A 10 7.581 5.954 14.320 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.352 8.062 13.140 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.405 7.262 11.581 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.118 7.814 11.997 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.258 6.077 12.184 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.992 6.708 14.060 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.611 6.556 14.713 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.807 9.122 14.119 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.055 9.068 14.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.870 9.685 16.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.066 8.192 16.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.763 8.245 16.381 1.00 0.00 H new ATOM 128 N LEU A 11 6.303 4.038 13.343 1.00 0.00 N ATOM 129 CA LEU A 11 5.712 2.786 12.880 1.00 0.00 C ATOM 130 C LEU A 11 4.305 3.017 12.338 1.00 0.00 C ATOM 131 O LEU A 11 3.426 3.503 13.049 1.00 0.00 O ATOM 132 CB LEU A 11 5.671 1.767 14.020 1.00 0.00 C ATOM 133 CG LEU A 11 6.938 0.934 14.221 1.00 0.00 C ATOM 134 CD1 LEU A 11 7.470 0.441 12.885 1.00 0.00 C ATOM 135 CD2 LEU A 11 7.997 1.744 14.954 1.00 0.00 C ATOM 0 H LEU A 11 5.927 4.380 14.227 1.00 0.00 H new ATOM 0 HA LEU A 11 6.333 2.395 12.074 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.458 2.298 14.948 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.837 1.087 13.843 1.00 0.00 H new ATOM 0 HG LEU A 11 6.687 0.066 14.831 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.371 -0.150 13.048 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.715 -0.176 12.398 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.706 1.295 12.250 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.892 1.136 15.089 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.245 2.631 14.371 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.614 2.046 15.929 1.00 0.00 H new ATOM 147 N VAL A 12 4.098 2.662 11.074 1.00 0.00 N ATOM 148 CA VAL A 12 2.798 2.826 10.436 1.00 0.00 C ATOM 149 C VAL A 12 2.236 1.485 9.978 1.00 0.00 C ATOM 150 O VAL A 12 2.987 0.552 9.691 1.00 0.00 O ATOM 151 CB VAL A 12 2.882 3.775 9.226 1.00 0.00 C ATOM 152 CG1 VAL A 12 3.348 5.156 9.661 1.00 0.00 C ATOM 153 CG2 VAL A 12 3.806 3.201 8.163 1.00 0.00 C ATOM 0 H VAL A 12 4.815 2.259 10.471 1.00 0.00 H new ATOM 0 HA VAL A 12 2.132 3.259 11.183 1.00 0.00 H new ATOM 0 HB VAL A 12 1.886 3.874 8.794 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.401 5.812 8.792 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.643 5.567 10.384 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.334 5.080 10.119 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.854 3.884 7.315 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.804 3.071 8.581 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.423 2.236 7.830 1.00 0.00 H new ATOM 163 N ARG A 13 0.912 1.395 9.913 1.00 0.00 N ATOM 164 CA ARG A 13 0.249 0.167 9.491 1.00 0.00 C ATOM 165 C ARG A 13 -0.621 0.413 8.262 1.00 0.00 C ATOM 166 O ARG A 13 -1.248 1.465 8.134 1.00 0.00 O ATOM 167 CB ARG A 13 -0.605 -0.394 10.629 1.00 0.00 C ATOM 168 CG ARG A 13 0.209 -0.889 11.814 1.00 0.00 C ATOM 169 CD ARG A 13 0.484 0.230 12.807 1.00 0.00 C ATOM 170 NE ARG A 13 -0.656 0.474 13.686 1.00 0.00 N ATOM 171 CZ ARG A 13 -0.943 -0.277 14.744 1.00 0.00 C ATOM 172 NH1 ARG A 13 -0.176 -1.314 15.052 1.00 0.00 N ATOM 173 NH2 ARG A 13 -1.998 0.008 15.496 1.00 0.00 N ATOM 0 H ARG A 13 0.277 2.158 10.147 1.00 0.00 H new ATOM 0 HA ARG A 13 1.018 -0.560 9.231 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.294 0.379 10.970 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.211 -1.215 10.247 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.327 -1.696 12.313 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.153 -1.304 11.461 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.357 -0.025 13.408 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.726 1.144 12.265 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.266 1.264 13.476 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.636 -1.536 14.476 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.398 -1.889 15.865 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.590 0.805 15.262 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.217 -0.570 16.308 1.00 0.00 H new ATOM 187 N ILE A 14 -0.653 -0.563 7.361 1.00 0.00 N ATOM 188 CA ILE A 14 -1.446 -0.451 6.143 1.00 0.00 C ATOM 189 C ILE A 14 -2.368 -1.654 5.976 1.00 0.00 C ATOM 190 O ILE A 14 -1.908 -2.786 5.822 1.00 0.00 O ATOM 191 CB ILE A 14 -0.550 -0.329 4.897 1.00 0.00 C ATOM 192 CG1 ILE A 14 0.409 0.854 5.046 1.00 0.00 C ATOM 193 CG2 ILE A 14 -1.401 -0.173 3.645 1.00 0.00 C ATOM 194 CD1 ILE A 14 -0.285 2.199 5.040 1.00 0.00 C ATOM 0 H ILE A 14 -0.139 -1.440 7.451 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.046 0.454 6.239 1.00 0.00 H new ATOM 0 HB ILE A 14 0.039 -1.241 4.801 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.965 0.745 5.977 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.137 0.826 4.235 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.753 -0.088 2.773 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.047 -1.044 3.533 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.013 0.725 3.731 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.456 2.991 5.149 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.819 2.329 4.099 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.993 2.247 5.868 1.00 0.00 H new ATOM 206 N TYR A 15 -3.672 -1.402 6.005 1.00 0.00 N ATOM 207 CA TYR A 15 -4.660 -2.464 5.857 1.00 0.00 C ATOM 208 C TYR A 15 -4.964 -2.724 4.385 1.00 0.00 C ATOM 209 O TYR A 15 -5.701 -1.970 3.748 1.00 0.00 O ATOM 210 CB TYR A 15 -5.946 -2.100 6.599 1.00 0.00 C ATOM 211 CG TYR A 15 -5.730 -1.762 8.057 1.00 0.00 C ATOM 212 CD1 TYR A 15 -5.335 -2.738 8.964 1.00 0.00 C ATOM 213 CD2 TYR A 15 -5.920 -0.469 8.527 1.00 0.00 C ATOM 214 CE1 TYR A 15 -5.137 -2.434 10.298 1.00 0.00 C ATOM 215 CE2 TYR A 15 -5.723 -0.156 9.858 1.00 0.00 C ATOM 216 CZ TYR A 15 -5.331 -1.142 10.739 1.00 0.00 C ATOM 217 OH TYR A 15 -5.135 -0.835 12.066 1.00 0.00 O ATOM 0 H TYR A 15 -4.070 -0.471 6.130 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.245 -3.374 6.289 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.413 -1.249 6.103 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.645 -2.934 6.528 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.180 -3.750 8.621 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -6.227 0.305 7.840 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -4.832 -3.204 10.991 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.875 0.855 10.207 1.00 0.00 H new ATOM 0 HH TYR A 15 -4.451 -1.428 12.441 1.00 0.00 H new ATOM 227 N THR A 16 -4.392 -3.797 3.849 1.00 0.00 N ATOM 228 CA THR A 16 -4.601 -4.158 2.452 1.00 0.00 C ATOM 229 C THR A 16 -6.029 -4.635 2.215 1.00 0.00 C ATOM 230 O THR A 16 -6.639 -5.260 3.083 1.00 0.00 O ATOM 231 CB THR A 16 -3.623 -5.260 2.004 1.00 0.00 C ATOM 232 OG1 THR A 16 -3.655 -5.395 0.579 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.973 -6.591 2.653 1.00 0.00 C ATOM 0 H THR A 16 -3.780 -4.432 4.361 1.00 0.00 H new ATOM 0 HA THR A 16 -4.419 -3.259 1.863 1.00 0.00 H new ATOM 0 HB THR A 16 -2.619 -4.973 2.318 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.768 -5.199 0.212 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.269 -7.354 2.321 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.918 -6.493 3.737 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.984 -6.881 2.366 1.00 0.00 H new ATOM 241 N LYS A 17 -6.559 -4.337 1.033 1.00 0.00 N ATOM 242 CA LYS A 17 -7.915 -4.737 0.680 1.00 0.00 C ATOM 243 C LYS A 17 -7.907 -5.719 -0.488 1.00 0.00 C ATOM 244 O LYS A 17 -7.434 -5.414 -1.583 1.00 0.00 O ATOM 245 CB LYS A 17 -8.754 -3.508 0.320 1.00 0.00 C ATOM 246 CG LYS A 17 -10.251 -3.762 0.356 1.00 0.00 C ATOM 247 CD LYS A 17 -11.030 -2.581 -0.198 1.00 0.00 C ATOM 248 CE LYS A 17 -12.501 -2.921 -0.384 1.00 0.00 C ATOM 249 NZ LYS A 17 -12.703 -3.948 -1.444 1.00 0.00 N ATOM 0 H LYS A 17 -6.069 -3.819 0.303 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.357 -5.232 1.545 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.514 -2.700 1.011 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.476 -3.168 -0.677 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.483 -4.656 -0.223 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.564 -3.956 1.382 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.935 -1.731 0.478 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.602 -2.278 -1.153 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.911 -3.285 0.558 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.053 -2.017 -0.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.702 -3.958 -1.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.108 -3.720 -2.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.439 -4.884 -1.075 1.00 0.00 H new ATOM 263 N PRO A 18 -8.443 -6.925 -0.252 1.00 0.00 N ATOM 264 CA PRO A 18 -8.510 -7.975 -1.272 1.00 0.00 C ATOM 265 C PRO A 18 -9.503 -7.643 -2.381 1.00 0.00 C ATOM 266 O PRO A 18 -10.539 -7.025 -2.137 1.00 0.00 O ATOM 267 CB PRO A 18 -8.977 -9.204 -0.487 1.00 0.00 C ATOM 268 CG PRO A 18 -9.713 -8.648 0.683 1.00 0.00 C ATOM 269 CD PRO A 18 -9.025 -7.357 1.030 1.00 0.00 C ATOM 0 HA PRO A 18 -7.554 -8.113 -1.778 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -9.621 -9.840 -1.094 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.132 -9.816 -0.169 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -10.762 -8.478 0.439 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.689 -9.341 1.524 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -9.727 -6.620 1.421 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.258 -7.502 1.791 1.00 0.00 H new ATOM 277 N LYS A 19 -9.180 -8.057 -3.602 1.00 0.00 N ATOM 278 CA LYS A 19 -10.044 -7.805 -4.749 1.00 0.00 C ATOM 279 C LYS A 19 -11.377 -8.531 -4.597 1.00 0.00 C ATOM 280 O LYS A 19 -11.625 -9.539 -5.257 1.00 0.00 O ATOM 281 CB LYS A 19 -9.353 -8.250 -6.041 1.00 0.00 C ATOM 282 CG LYS A 19 -8.861 -9.687 -6.003 1.00 0.00 C ATOM 283 CD LYS A 19 -8.031 -10.024 -7.230 1.00 0.00 C ATOM 284 CE LYS A 19 -8.900 -10.546 -8.364 1.00 0.00 C ATOM 285 NZ LYS A 19 -9.544 -9.439 -9.125 1.00 0.00 N ATOM 0 H LYS A 19 -8.326 -8.569 -3.822 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.238 -6.733 -4.798 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.047 -8.134 -6.873 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.508 -7.590 -6.237 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.265 -9.845 -5.104 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.714 -10.363 -5.942 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.493 -9.136 -7.562 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.282 -10.772 -6.970 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.292 -11.146 -9.041 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.669 -11.204 -7.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.684 -9.732 -10.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.465 -9.213 -8.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.934 -8.597 -9.097 1.00 0.00 H new ATOM 299 N GLY A 20 -12.232 -8.010 -3.722 1.00 0.00 N ATOM 300 CA GLY A 20 -13.530 -8.621 -3.501 1.00 0.00 C ATOM 301 C GLY A 20 -13.888 -8.703 -2.030 1.00 0.00 C ATOM 302 O GLY A 20 -14.939 -8.216 -1.613 1.00 0.00 O ATOM 0 H GLY A 20 -12.049 -7.177 -3.163 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.293 -8.046 -4.026 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.534 -9.623 -3.930 1.00 0.00 H new ATOM 306 N GLN A 21 -13.014 -9.322 -1.243 1.00 0.00 N ATOM 307 CA GLN A 21 -13.246 -9.468 0.189 1.00 0.00 C ATOM 308 C GLN A 21 -13.015 -8.147 0.915 1.00 0.00 C ATOM 309 O GLN A 21 -12.656 -7.142 0.300 1.00 0.00 O ATOM 310 CB GLN A 21 -12.331 -10.548 0.768 1.00 0.00 C ATOM 311 CG GLN A 21 -12.764 -11.963 0.419 1.00 0.00 C ATOM 312 CD GLN A 21 -12.235 -12.420 -0.926 1.00 0.00 C ATOM 313 OE1 GLN A 21 -11.076 -12.181 -1.265 1.00 0.00 O ATOM 314 NE2 GLN A 21 -13.085 -13.083 -1.702 1.00 0.00 N ATOM 0 H GLN A 21 -12.139 -9.730 -1.573 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.285 -9.765 0.335 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.317 -10.387 0.403 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -12.300 -10.443 1.853 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -12.416 -12.647 1.193 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -13.853 -12.015 0.414 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -14.037 -13.259 -1.381 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -12.786 -13.416 -2.618 1.00 0.00 H new ATOM 323 N LEU A 22 -13.224 -8.154 2.227 1.00 0.00 N ATOM 324 CA LEU A 22 -13.039 -6.956 3.038 1.00 0.00 C ATOM 325 C LEU A 22 -11.582 -6.808 3.466 1.00 0.00 C ATOM 326 O LEU A 22 -10.843 -7.785 3.588 1.00 0.00 O ATOM 327 CB LEU A 22 -13.942 -7.007 4.272 1.00 0.00 C ATOM 328 CG LEU A 22 -15.433 -6.777 4.022 1.00 0.00 C ATOM 329 CD1 LEU A 22 -16.224 -6.956 5.308 1.00 0.00 C ATOM 330 CD2 LEU A 22 -15.668 -5.391 3.438 1.00 0.00 C ATOM 0 H LEU A 22 -13.522 -8.976 2.752 1.00 0.00 H new ATOM 0 HA LEU A 22 -13.310 -6.091 2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.820 -7.980 4.747 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.594 -6.259 4.984 1.00 0.00 H new ATOM 0 HG LEU A 22 -15.779 -7.517 3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -17.283 -6.788 5.110 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -16.081 -7.969 5.685 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -15.876 -6.239 6.052 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -16.734 -5.244 3.266 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -15.306 -4.636 4.136 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -15.132 -5.299 2.493 1.00 0.00 H new ATOM 342 N PRO A 23 -11.159 -5.557 3.702 1.00 0.00 N ATOM 343 CA PRO A 23 -9.789 -5.251 4.123 1.00 0.00 C ATOM 344 C PRO A 23 -9.500 -5.722 5.545 1.00 0.00 C ATOM 345 O PRO A 23 -10.178 -5.320 6.491 1.00 0.00 O ATOM 346 CB PRO A 23 -9.725 -3.724 4.042 1.00 0.00 C ATOM 347 CG PRO A 23 -11.136 -3.277 4.208 1.00 0.00 C ATOM 348 CD PRO A 23 -11.986 -4.345 3.577 1.00 0.00 C ATOM 0 HA PRO A 23 -9.050 -5.756 3.501 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -9.085 -3.313 4.822 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -9.315 -3.395 3.087 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.384 -3.153 5.262 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.299 -2.313 3.726 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.941 -4.455 4.091 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -12.210 -4.117 2.535 1.00 0.00 H new ATOM 356 N ASP A 24 -8.492 -6.575 5.687 1.00 0.00 N ATOM 357 CA ASP A 24 -8.113 -7.099 6.994 1.00 0.00 C ATOM 358 C ASP A 24 -7.685 -5.971 7.929 1.00 0.00 C ATOM 359 O ASP A 24 -7.109 -4.975 7.492 1.00 0.00 O ATOM 360 CB ASP A 24 -6.980 -8.116 6.851 1.00 0.00 C ATOM 361 CG ASP A 24 -6.889 -9.052 8.040 1.00 0.00 C ATOM 362 OD1 ASP A 24 -7.894 -9.730 8.341 1.00 0.00 O ATOM 363 OD2 ASP A 24 -5.812 -9.108 8.669 1.00 0.00 O ATOM 0 H ASP A 24 -7.923 -6.918 4.913 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.983 -7.594 7.425 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.132 -8.700 5.943 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.034 -7.588 6.735 1.00 0.00 H new ATOM 368 N TYR A 25 -7.972 -6.135 9.215 1.00 0.00 N ATOM 369 CA TYR A 25 -7.620 -5.130 10.211 1.00 0.00 C ATOM 370 C TYR A 25 -6.960 -5.774 11.426 1.00 0.00 C ATOM 371 O TYR A 25 -6.818 -5.147 12.477 1.00 0.00 O ATOM 372 CB TYR A 25 -8.865 -4.354 10.645 1.00 0.00 C ATOM 373 CG TYR A 25 -9.479 -3.527 9.538 1.00 0.00 C ATOM 374 CD1 TYR A 25 -8.993 -2.260 9.239 1.00 0.00 C ATOM 375 CD2 TYR A 25 -10.546 -4.012 8.792 1.00 0.00 C ATOM 376 CE1 TYR A 25 -9.551 -1.501 8.229 1.00 0.00 C ATOM 377 CE2 TYR A 25 -11.110 -3.260 7.779 1.00 0.00 C ATOM 378 CZ TYR A 25 -10.609 -2.006 7.501 1.00 0.00 C ATOM 379 OH TYR A 25 -11.169 -1.253 6.494 1.00 0.00 O ATOM 0 H TYR A 25 -8.448 -6.955 9.593 1.00 0.00 H new ATOM 0 HA TYR A 25 -6.909 -4.440 9.757 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.610 -5.057 11.018 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.603 -3.698 11.475 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.165 -1.862 9.806 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.941 -4.994 9.007 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.161 -0.518 8.010 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.939 -3.652 7.208 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.079 -0.301 6.709 1.00 0.00 H new ATOM 389 N THR A 26 -6.556 -7.032 11.275 1.00 0.00 N ATOM 390 CA THR A 26 -5.911 -7.763 12.358 1.00 0.00 C ATOM 391 C THR A 26 -4.472 -8.117 12.002 1.00 0.00 C ATOM 392 O THR A 26 -3.606 -8.187 12.874 1.00 0.00 O ATOM 393 CB THR A 26 -6.677 -9.056 12.697 1.00 0.00 C ATOM 394 OG1 THR A 26 -5.925 -9.840 13.630 1.00 0.00 O ATOM 395 CG2 THR A 26 -6.944 -9.872 11.441 1.00 0.00 C ATOM 0 H THR A 26 -6.665 -7.565 10.412 1.00 0.00 H new ATOM 0 HA THR A 26 -5.916 -7.107 13.229 1.00 0.00 H new ATOM 0 HB THR A 26 -7.633 -8.780 13.142 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.419 -10.659 13.842 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.486 -10.780 11.705 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.541 -9.283 10.745 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.997 -10.138 10.972 1.00 0.00 H new ATOM 403 N SER A 27 -4.223 -8.338 10.715 1.00 0.00 N ATOM 404 CA SER A 27 -2.888 -8.688 10.244 1.00 0.00 C ATOM 405 C SER A 27 -2.344 -7.614 9.308 1.00 0.00 C ATOM 406 O SER A 27 -1.987 -7.878 8.159 1.00 0.00 O ATOM 407 CB SER A 27 -2.915 -10.040 9.528 1.00 0.00 C ATOM 408 OG SER A 27 -2.961 -11.109 10.457 1.00 0.00 O ATOM 0 H SER A 27 -4.928 -8.281 9.980 1.00 0.00 H new ATOM 0 HA SER A 27 -2.230 -8.757 11.110 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.782 -10.089 8.870 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.031 -10.139 8.898 1.00 0.00 H new ATOM 0 HG SER A 27 -2.979 -11.962 9.974 1.00 0.00 H new ATOM 414 N PRO A 28 -2.277 -6.371 9.809 1.00 0.00 N ATOM 415 CA PRO A 28 -1.778 -5.231 9.035 1.00 0.00 C ATOM 416 C PRO A 28 -0.276 -5.315 8.783 1.00 0.00 C ATOM 417 O PRO A 28 0.465 -5.895 9.577 1.00 0.00 O ATOM 418 CB PRO A 28 -2.105 -4.029 9.923 1.00 0.00 C ATOM 419 CG PRO A 28 -2.159 -4.582 11.305 1.00 0.00 C ATOM 420 CD PRO A 28 -2.685 -5.984 11.169 1.00 0.00 C ATOM 0 HA PRO A 28 -2.230 -5.181 8.044 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.343 -3.254 9.836 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.055 -3.575 9.641 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.171 -4.579 11.766 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.809 -3.981 11.941 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.258 -6.648 11.921 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.768 -6.020 11.289 1.00 0.00 H new ATOM 428 N VAL A 29 0.167 -4.732 7.674 1.00 0.00 N ATOM 429 CA VAL A 29 1.581 -4.739 7.319 1.00 0.00 C ATOM 430 C VAL A 29 2.310 -3.553 7.940 1.00 0.00 C ATOM 431 O VAL A 29 2.016 -2.398 7.631 1.00 0.00 O ATOM 432 CB VAL A 29 1.777 -4.705 5.791 1.00 0.00 C ATOM 433 CG1 VAL A 29 1.200 -3.424 5.208 1.00 0.00 C ATOM 434 CG2 VAL A 29 3.250 -4.844 5.440 1.00 0.00 C ATOM 0 H VAL A 29 -0.433 -4.249 7.006 1.00 0.00 H new ATOM 0 HA VAL A 29 2.000 -5.665 7.711 1.00 0.00 H new ATOM 0 HB VAL A 29 1.242 -5.548 5.354 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.347 -3.417 4.128 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.134 -3.371 5.429 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.705 -2.564 5.649 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.370 -4.818 4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.810 -4.022 5.887 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.628 -5.792 5.824 1.00 0.00 H new ATOM 444 N VAL A 30 3.264 -3.846 8.819 1.00 0.00 N ATOM 445 CA VAL A 30 4.037 -2.804 9.484 1.00 0.00 C ATOM 446 C VAL A 30 5.230 -2.378 8.635 1.00 0.00 C ATOM 447 O VAL A 30 6.226 -3.096 8.541 1.00 0.00 O ATOM 448 CB VAL A 30 4.542 -3.272 10.861 1.00 0.00 C ATOM 449 CG1 VAL A 30 5.101 -2.099 11.652 1.00 0.00 C ATOM 450 CG2 VAL A 30 3.427 -3.962 11.631 1.00 0.00 C ATOM 0 H VAL A 30 3.520 -4.796 9.087 1.00 0.00 H new ATOM 0 HA VAL A 30 3.369 -1.953 9.620 1.00 0.00 H new ATOM 0 HB VAL A 30 5.346 -3.992 10.708 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.453 -2.449 12.622 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.931 -1.653 11.104 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.320 -1.353 11.797 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.802 -4.286 12.602 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.600 -3.267 11.775 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.079 -4.828 11.069 1.00 0.00 H new ATOM 460 N LEU A 31 5.122 -1.207 8.018 1.00 0.00 N ATOM 461 CA LEU A 31 6.192 -0.684 7.176 1.00 0.00 C ATOM 462 C LEU A 31 6.889 0.494 7.849 1.00 0.00 C ATOM 463 O LEU A 31 6.277 1.274 8.580 1.00 0.00 O ATOM 464 CB LEU A 31 5.635 -0.253 5.818 1.00 0.00 C ATOM 465 CG LEU A 31 5.140 -1.377 4.908 1.00 0.00 C ATOM 466 CD1 LEU A 31 4.195 -0.830 3.849 1.00 0.00 C ATOM 467 CD2 LEU A 31 6.314 -2.093 4.258 1.00 0.00 C ATOM 0 H LEU A 31 4.304 -0.601 8.085 1.00 0.00 H new ATOM 0 HA LEU A 31 6.924 -1.478 7.027 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.810 0.439 5.989 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.411 0.301 5.289 1.00 0.00 H new ATOM 0 HG LEU A 31 4.593 -2.097 5.517 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.853 -1.645 3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.337 -0.364 4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.717 -0.089 3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.943 -2.890 3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.889 -1.383 3.663 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.953 -2.520 5.031 1.00 0.00 H new ATOM 479 N PRO A 32 8.200 0.629 7.598 1.00 0.00 N ATOM 480 CA PRO A 32 9.008 1.711 8.168 1.00 0.00 C ATOM 481 C PRO A 32 8.654 3.072 7.578 1.00 0.00 C ATOM 482 O PRO A 32 8.636 3.245 6.359 1.00 0.00 O ATOM 483 CB PRO A 32 10.439 1.321 7.793 1.00 0.00 C ATOM 484 CG PRO A 32 10.294 0.474 6.575 1.00 0.00 C ATOM 485 CD PRO A 32 8.993 -0.264 6.737 1.00 0.00 C ATOM 0 HA PRO A 32 8.848 1.817 9.241 1.00 0.00 H new ATOM 0 HB2 PRO A 32 11.050 2.201 7.593 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.925 0.773 8.601 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.286 1.086 5.673 1.00 0.00 H new ATOM 0 HG3 PRO A 32 11.128 -0.221 6.481 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.505 -0.434 5.777 1.00 0.00 H new ATOM 0 HD3 PRO A 32 9.140 -1.241 7.198 1.00 0.00 H new ATOM 493 N TYR A 33 8.375 4.035 8.449 1.00 0.00 N ATOM 494 CA TYR A 33 8.020 5.380 8.014 1.00 0.00 C ATOM 495 C TYR A 33 8.975 5.872 6.931 1.00 0.00 C ATOM 496 O TYR A 33 8.567 6.136 5.800 1.00 0.00 O ATOM 497 CB TYR A 33 8.037 6.345 9.201 1.00 0.00 C ATOM 498 CG TYR A 33 7.226 7.600 8.973 1.00 0.00 C ATOM 499 CD1 TYR A 33 7.736 8.654 8.224 1.00 0.00 C ATOM 500 CD2 TYR A 33 5.950 7.732 9.505 1.00 0.00 C ATOM 501 CE1 TYR A 33 6.999 9.803 8.014 1.00 0.00 C ATOM 502 CE2 TYR A 33 5.205 8.878 9.299 1.00 0.00 C ATOM 503 CZ TYR A 33 5.734 9.910 8.554 1.00 0.00 C ATOM 504 OH TYR A 33 4.996 11.053 8.345 1.00 0.00 O ATOM 0 H TYR A 33 8.388 3.909 9.461 1.00 0.00 H new ATOM 0 HA TYR A 33 7.013 5.345 7.598 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.654 5.830 10.082 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.068 6.623 9.417 1.00 0.00 H new ATOM 0 HD1 TYR A 33 8.726 8.573 7.799 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.533 6.926 10.090 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.411 10.613 7.430 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.214 8.964 9.719 1.00 0.00 H new ATOM 0 HH TYR A 33 4.128 10.968 8.791 1.00 0.00 H new ATOM 514 N SER A 34 10.251 5.992 7.286 1.00 0.00 N ATOM 515 CA SER A 34 11.266 6.454 6.347 1.00 0.00 C ATOM 516 C SER A 34 10.980 5.938 4.940 1.00 0.00 C ATOM 517 O SER A 34 11.145 6.660 3.956 1.00 0.00 O ATOM 518 CB SER A 34 12.654 5.997 6.797 1.00 0.00 C ATOM 519 OG SER A 34 13.670 6.779 6.192 1.00 0.00 O ATOM 0 H SER A 34 10.606 5.775 8.217 1.00 0.00 H new ATOM 0 HA SER A 34 11.238 7.543 6.329 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.731 6.072 7.882 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.796 4.948 6.539 1.00 0.00 H new ATOM 0 HG SER A 34 14.548 6.468 6.497 1.00 0.00 H new ATOM 525 N ARG A 35 10.549 4.684 4.853 1.00 0.00 N ATOM 526 CA ARG A 35 10.241 4.069 3.567 1.00 0.00 C ATOM 527 C ARG A 35 8.775 3.649 3.503 1.00 0.00 C ATOM 528 O ARG A 35 8.404 2.575 3.980 1.00 0.00 O ATOM 529 CB ARG A 35 11.142 2.856 3.328 1.00 0.00 C ATOM 530 CG ARG A 35 12.625 3.185 3.353 1.00 0.00 C ATOM 531 CD ARG A 35 13.128 3.597 1.978 1.00 0.00 C ATOM 532 NE ARG A 35 12.953 2.534 0.991 1.00 0.00 N ATOM 533 CZ ARG A 35 13.275 2.663 -0.291 1.00 0.00 C ATOM 534 NH1 ARG A 35 13.785 3.801 -0.739 1.00 0.00 N ATOM 535 NH2 ARG A 35 13.086 1.650 -1.128 1.00 0.00 N ATOM 0 H ARG A 35 10.405 4.074 5.658 1.00 0.00 H new ATOM 0 HA ARG A 35 10.424 4.807 2.786 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.933 2.103 4.088 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.893 2.413 2.364 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.808 3.990 4.065 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.185 2.318 3.702 1.00 0.00 H new ATOM 0 HD2 ARG A 35 12.595 4.489 1.649 1.00 0.00 H new ATOM 0 HD3 ARG A 35 14.183 3.862 2.042 1.00 0.00 H new ATOM 0 HE ARG A 35 12.563 1.645 1.303 1.00 0.00 H new ATOM 0 HH11 ARG A 35 13.931 4.581 -0.099 1.00 0.00 H new ATOM 0 HH12 ARG A 35 14.031 3.897 -1.724 1.00 0.00 H new ATOM 0 HH21 ARG A 35 12.693 0.773 -0.786 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.333 1.749 -2.113 1.00 0.00 H new ATOM 549 N THR A 36 7.945 4.502 2.911 1.00 0.00 N ATOM 550 CA THR A 36 6.521 4.220 2.786 1.00 0.00 C ATOM 551 C THR A 36 5.996 4.637 1.417 1.00 0.00 C ATOM 552 O THR A 36 5.970 5.823 1.085 1.00 0.00 O ATOM 553 CB THR A 36 5.707 4.942 3.877 1.00 0.00 C ATOM 554 OG1 THR A 36 6.262 6.238 4.125 1.00 0.00 O ATOM 555 CG2 THR A 36 5.696 4.135 5.167 1.00 0.00 C ATOM 0 H THR A 36 8.235 5.394 2.511 1.00 0.00 H new ATOM 0 HA THR A 36 6.401 3.143 2.906 1.00 0.00 H new ATOM 0 HB THR A 36 4.681 5.048 3.524 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.038 6.154 4.717 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.115 4.664 5.922 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.247 3.159 4.982 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.718 4.002 5.522 1.00 0.00 H new ATOM 563 N THR A 37 5.577 3.655 0.625 1.00 0.00 N ATOM 564 CA THR A 37 5.052 3.921 -0.709 1.00 0.00 C ATOM 565 C THR A 37 4.340 2.697 -1.273 1.00 0.00 C ATOM 566 O THR A 37 4.743 1.561 -1.022 1.00 0.00 O ATOM 567 CB THR A 37 6.172 4.342 -1.679 1.00 0.00 C ATOM 568 OG1 THR A 37 7.396 3.685 -1.330 1.00 0.00 O ATOM 569 CG2 THR A 37 6.374 5.850 -1.650 1.00 0.00 C ATOM 0 H THR A 37 5.591 2.669 0.884 1.00 0.00 H new ATOM 0 HA THR A 37 4.339 4.740 -0.611 1.00 0.00 H new ATOM 0 HB THR A 37 5.878 4.049 -2.687 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.102 3.957 -1.953 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.170 6.124 -2.343 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.450 6.347 -1.945 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.648 6.161 -0.642 1.00 0.00 H new ATOM 577 N VAL A 38 3.280 2.935 -2.039 1.00 0.00 N ATOM 578 CA VAL A 38 2.513 1.851 -2.641 1.00 0.00 C ATOM 579 C VAL A 38 3.431 0.759 -3.177 1.00 0.00 C ATOM 580 O VAL A 38 3.138 -0.429 -3.050 1.00 0.00 O ATOM 581 CB VAL A 38 1.620 2.365 -3.787 1.00 0.00 C ATOM 582 CG1 VAL A 38 0.888 1.210 -4.452 1.00 0.00 C ATOM 583 CG2 VAL A 38 0.637 3.404 -3.271 1.00 0.00 C ATOM 0 H VAL A 38 2.933 3.869 -2.257 1.00 0.00 H new ATOM 0 HA VAL A 38 1.881 1.436 -1.856 1.00 0.00 H new ATOM 0 HB VAL A 38 2.255 2.840 -4.535 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.262 1.592 -5.259 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.613 0.505 -4.858 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.263 0.704 -3.717 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.014 3.756 -4.094 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.005 2.957 -2.503 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.186 4.244 -2.846 1.00 0.00 H new ATOM 593 N GLU A 39 4.544 1.171 -3.777 1.00 0.00 N ATOM 594 CA GLU A 39 5.506 0.227 -4.333 1.00 0.00 C ATOM 595 C GLU A 39 6.224 -0.536 -3.223 1.00 0.00 C ATOM 596 O GLU A 39 6.503 -1.728 -3.354 1.00 0.00 O ATOM 597 CB GLU A 39 6.527 0.959 -5.206 1.00 0.00 C ATOM 598 CG GLU A 39 7.535 1.773 -4.412 1.00 0.00 C ATOM 599 CD GLU A 39 8.288 2.769 -5.272 1.00 0.00 C ATOM 600 OE1 GLU A 39 8.894 2.345 -6.278 1.00 0.00 O ATOM 601 OE2 GLU A 39 8.271 3.973 -4.939 1.00 0.00 O ATOM 0 H GLU A 39 4.801 2.152 -3.890 1.00 0.00 H new ATOM 0 HA GLU A 39 4.960 -0.488 -4.948 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.061 0.230 -5.815 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.998 1.621 -5.892 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.018 2.306 -3.614 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.247 1.099 -3.936 1.00 0.00 H new ATOM 608 N ASP A 40 6.520 0.161 -2.131 1.00 0.00 N ATOM 609 CA ASP A 40 7.205 -0.449 -0.997 1.00 0.00 C ATOM 610 C ASP A 40 6.381 -1.594 -0.416 1.00 0.00 C ATOM 611 O ASP A 40 6.929 -2.582 0.071 1.00 0.00 O ATOM 612 CB ASP A 40 7.480 0.597 0.083 1.00 0.00 C ATOM 613 CG ASP A 40 8.761 1.369 -0.170 1.00 0.00 C ATOM 614 OD1 ASP A 40 9.231 1.374 -1.327 1.00 0.00 O ATOM 615 OD2 ASP A 40 9.293 1.966 0.788 1.00 0.00 O ATOM 0 H ASP A 40 6.296 1.148 -2.007 1.00 0.00 H new ATOM 0 HA ASP A 40 8.154 -0.852 -1.351 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.643 1.294 0.131 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.542 0.105 1.054 1.00 0.00 H new ATOM 620 N PHE A 41 5.061 -1.452 -0.471 1.00 0.00 N ATOM 621 CA PHE A 41 4.160 -2.473 0.052 1.00 0.00 C ATOM 622 C PHE A 41 4.093 -3.673 -0.889 1.00 0.00 C ATOM 623 O PHE A 41 4.096 -4.822 -0.447 1.00 0.00 O ATOM 624 CB PHE A 41 2.759 -1.892 0.256 1.00 0.00 C ATOM 625 CG PHE A 41 1.702 -2.937 0.470 1.00 0.00 C ATOM 626 CD1 PHE A 41 1.339 -3.794 -0.556 1.00 0.00 C ATOM 627 CD2 PHE A 41 1.071 -3.061 1.697 1.00 0.00 C ATOM 628 CE1 PHE A 41 0.367 -4.757 -0.362 1.00 0.00 C ATOM 629 CE2 PHE A 41 0.098 -4.022 1.897 1.00 0.00 C ATOM 630 CZ PHE A 41 -0.256 -4.871 0.866 1.00 0.00 C ATOM 0 H PHE A 41 4.591 -0.640 -0.872 1.00 0.00 H new ATOM 0 HA PHE A 41 4.550 -2.808 1.013 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.774 -1.221 1.115 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.493 -1.291 -0.614 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.821 -3.709 -1.519 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.342 -2.399 2.506 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.095 -5.420 -1.170 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.385 -4.109 2.859 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.017 -5.621 1.020 1.00 0.00 H new ATOM 640 N CYS A 42 4.031 -3.396 -2.186 1.00 0.00 N ATOM 641 CA CYS A 42 3.962 -4.451 -3.191 1.00 0.00 C ATOM 642 C CYS A 42 5.136 -5.415 -3.049 1.00 0.00 C ATOM 643 O CYS A 42 5.048 -6.577 -3.443 1.00 0.00 O ATOM 644 CB CYS A 42 3.949 -3.847 -4.596 1.00 0.00 C ATOM 645 SG CYS A 42 2.364 -3.119 -5.071 1.00 0.00 S ATOM 0 H CYS A 42 4.027 -2.450 -2.567 1.00 0.00 H new ATOM 0 HA CYS A 42 3.038 -5.007 -3.035 1.00 0.00 H new ATOM 0 HB2 CYS A 42 4.722 -3.081 -4.658 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.211 -4.623 -5.316 1.00 0.00 H new ATOM 0 HG CYS A 42 2.237 -1.953 -4.511 1.00 0.00 H new ATOM 651 N MET A 43 6.234 -4.922 -2.486 1.00 0.00 N ATOM 652 CA MET A 43 7.426 -5.740 -2.293 1.00 0.00 C ATOM 653 C MET A 43 7.221 -6.742 -1.162 1.00 0.00 C ATOM 654 O MET A 43 7.584 -7.912 -1.282 1.00 0.00 O ATOM 655 CB MET A 43 8.636 -4.853 -1.991 1.00 0.00 C ATOM 656 CG MET A 43 8.891 -3.792 -3.049 1.00 0.00 C ATOM 657 SD MET A 43 9.988 -4.368 -4.359 1.00 0.00 S ATOM 658 CE MET A 43 8.988 -4.038 -5.807 1.00 0.00 C ATOM 0 H MET A 43 6.323 -3.961 -2.156 1.00 0.00 H new ATOM 0 HA MET A 43 7.610 -6.292 -3.215 1.00 0.00 H new ATOM 0 HB2 MET A 43 8.487 -4.365 -1.028 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.522 -5.481 -1.897 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.941 -3.484 -3.485 1.00 0.00 H new ATOM 0 HG3 MET A 43 9.326 -2.911 -2.577 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.539 -4.325 -6.703 1.00 0.00 H new ATOM 0 HE2 MET A 43 8.064 -4.613 -5.750 1.00 0.00 H new ATOM 0 HE3 MET A 43 8.752 -2.975 -5.852 1.00 0.00 H new ATOM 668 N LYS A 44 6.636 -6.277 -0.064 1.00 0.00 N ATOM 669 CA LYS A 44 6.381 -7.132 1.089 1.00 0.00 C ATOM 670 C LYS A 44 5.687 -8.422 0.666 1.00 0.00 C ATOM 671 O LYS A 44 5.949 -9.490 1.221 1.00 0.00 O ATOM 672 CB LYS A 44 5.524 -6.393 2.119 1.00 0.00 C ATOM 673 CG LYS A 44 6.336 -5.615 3.140 1.00 0.00 C ATOM 674 CD LYS A 44 6.902 -6.527 4.215 1.00 0.00 C ATOM 675 CE LYS A 44 7.227 -5.757 5.486 1.00 0.00 C ATOM 676 NZ LYS A 44 8.491 -4.980 5.355 1.00 0.00 N ATOM 0 H LYS A 44 6.329 -5.311 0.052 1.00 0.00 H new ATOM 0 HA LYS A 44 7.340 -7.387 1.540 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.857 -5.706 1.598 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.895 -7.114 2.641 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.151 -5.094 2.637 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.708 -4.853 3.602 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.184 -7.315 4.440 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.803 -7.014 3.843 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.406 -5.079 5.720 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.313 -6.453 6.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.678 -4.469 6.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.279 -5.629 5.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.400 -4.298 4.575 1.00 0.00 H new ATOM 690 N ILE A 45 4.801 -8.317 -0.319 1.00 0.00 N ATOM 691 CA ILE A 45 4.071 -9.476 -0.817 1.00 0.00 C ATOM 692 C ILE A 45 4.794 -10.114 -1.999 1.00 0.00 C ATOM 693 O ILE A 45 5.311 -11.227 -1.897 1.00 0.00 O ATOM 694 CB ILE A 45 2.641 -9.099 -1.247 1.00 0.00 C ATOM 695 CG1 ILE A 45 1.985 -8.210 -0.189 1.00 0.00 C ATOM 696 CG2 ILE A 45 1.812 -10.352 -1.483 1.00 0.00 C ATOM 697 CD1 ILE A 45 2.243 -8.668 1.230 1.00 0.00 C ATOM 0 H ILE A 45 4.572 -7.441 -0.788 1.00 0.00 H new ATOM 0 HA ILE A 45 4.018 -10.192 0.003 1.00 0.00 H new ATOM 0 HB ILE A 45 2.693 -8.540 -2.182 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.351 -7.190 -0.305 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.909 -8.184 -0.364 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.804 -10.070 -1.786 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.273 -10.951 -2.269 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.764 -10.935 -0.563 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.748 -7.991 1.926 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.851 -9.676 1.364 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.316 -8.667 1.423 1.00 0.00 H new ATOM 709 N HIS A 46 4.827 -9.401 -3.120 1.00 0.00 N ATOM 710 CA HIS A 46 5.489 -9.896 -4.322 1.00 0.00 C ATOM 711 C HIS A 46 6.101 -8.748 -5.118 1.00 0.00 C ATOM 712 O HIS A 46 5.411 -7.796 -5.485 1.00 0.00 O ATOM 713 CB HIS A 46 4.498 -10.666 -5.195 1.00 0.00 C ATOM 714 CG HIS A 46 5.132 -11.758 -6.001 1.00 0.00 C ATOM 715 ND1 HIS A 46 5.982 -11.515 -7.059 1.00 0.00 N ATOM 716 CD2 HIS A 46 5.037 -13.104 -5.897 1.00 0.00 C ATOM 717 CE1 HIS A 46 6.381 -12.665 -7.573 1.00 0.00 C ATOM 718 NE2 HIS A 46 5.823 -13.645 -6.886 1.00 0.00 N ATOM 0 H HIS A 46 4.403 -8.479 -3.221 1.00 0.00 H new ATOM 0 HA HIS A 46 6.290 -10.568 -4.015 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.725 -11.097 -4.559 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.003 -9.968 -5.870 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.453 -13.651 -5.172 1.00 0.00 H new ATOM 0 HE1 HIS A 46 7.050 -12.783 -8.413 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.954 -14.641 -7.061 1.00 0.00 H new ATOM 727 N LYS A 47 7.400 -8.842 -5.381 1.00 0.00 N ATOM 728 CA LYS A 47 8.105 -7.812 -6.134 1.00 0.00 C ATOM 729 C LYS A 47 7.472 -7.611 -7.507 1.00 0.00 C ATOM 730 O LYS A 47 7.128 -6.492 -7.884 1.00 0.00 O ATOM 731 CB LYS A 47 9.581 -8.187 -6.292 1.00 0.00 C ATOM 732 CG LYS A 47 10.459 -7.028 -6.730 1.00 0.00 C ATOM 733 CD LYS A 47 11.784 -7.515 -7.293 1.00 0.00 C ATOM 734 CE LYS A 47 12.761 -7.875 -6.184 1.00 0.00 C ATOM 735 NZ LYS A 47 12.539 -9.258 -5.677 1.00 0.00 N ATOM 0 H LYS A 47 7.986 -9.622 -5.083 1.00 0.00 H new ATOM 0 HA LYS A 47 8.030 -6.877 -5.579 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.952 -8.575 -5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.667 -8.993 -7.021 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.937 -6.439 -7.484 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.643 -6.369 -5.882 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.614 -8.386 -7.926 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.219 -6.741 -7.925 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.782 -7.784 -6.555 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.656 -7.166 -5.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.228 -9.218 -4.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.808 -9.725 -6.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.426 -9.797 -5.740 1.00 0.00 H new ATOM 749 N ASN A 48 7.319 -8.703 -8.249 1.00 0.00 N ATOM 750 CA ASN A 48 6.725 -8.647 -9.580 1.00 0.00 C ATOM 751 C ASN A 48 5.389 -7.911 -9.548 1.00 0.00 C ATOM 752 O ASN A 48 4.933 -7.385 -10.565 1.00 0.00 O ATOM 753 CB ASN A 48 6.530 -10.059 -10.134 1.00 0.00 C ATOM 754 CG ASN A 48 7.813 -10.644 -10.692 1.00 0.00 C ATOM 755 OD1 ASN A 48 8.050 -10.610 -11.900 1.00 0.00 O ATOM 756 ND2 ASN A 48 8.648 -11.185 -9.813 1.00 0.00 N ATOM 0 H ASN A 48 7.598 -9.638 -7.951 1.00 0.00 H new ATOM 0 HA ASN A 48 7.406 -8.100 -10.232 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.152 -10.707 -9.344 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.773 -10.037 -10.918 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.527 -11.595 -10.130 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.411 -11.191 -8.821 1.00 0.00 H new ATOM 763 N LEU A 49 4.766 -7.877 -8.375 1.00 0.00 N ATOM 764 CA LEU A 49 3.482 -7.205 -8.210 1.00 0.00 C ATOM 765 C LEU A 49 3.504 -5.822 -8.853 1.00 0.00 C ATOM 766 O LEU A 49 2.647 -5.494 -9.674 1.00 0.00 O ATOM 767 CB LEU A 49 3.134 -7.085 -6.726 1.00 0.00 C ATOM 768 CG LEU A 49 1.739 -6.546 -6.404 1.00 0.00 C ATOM 769 CD1 LEU A 49 0.698 -7.183 -7.312 1.00 0.00 C ATOM 770 CD2 LEU A 49 1.397 -6.790 -4.942 1.00 0.00 C ATOM 0 H LEU A 49 5.129 -8.307 -7.524 1.00 0.00 H new ATOM 0 HA LEU A 49 2.720 -7.804 -8.708 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.236 -8.069 -6.269 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.871 -6.436 -6.252 1.00 0.00 H new ATOM 0 HG LEU A 49 1.736 -5.471 -6.581 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.288 -6.788 -7.068 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.934 -6.955 -8.352 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.701 -8.263 -7.168 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.401 -6.400 -4.731 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.418 -7.860 -4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.126 -6.285 -4.309 1.00 0.00 H new ATOM 782 N ILE A 50 4.491 -5.016 -8.475 1.00 0.00 N ATOM 783 CA ILE A 50 4.626 -3.670 -9.017 1.00 0.00 C ATOM 784 C ILE A 50 4.444 -3.666 -10.531 1.00 0.00 C ATOM 785 O ILE A 50 3.989 -2.679 -11.110 1.00 0.00 O ATOM 786 CB ILE A 50 5.999 -3.061 -8.674 1.00 0.00 C ATOM 787 CG1 ILE A 50 5.974 -1.545 -8.879 1.00 0.00 C ATOM 788 CG2 ILE A 50 7.088 -3.698 -9.525 1.00 0.00 C ATOM 789 CD1 ILE A 50 5.200 -0.804 -7.812 1.00 0.00 C ATOM 0 H ILE A 50 5.208 -5.272 -7.796 1.00 0.00 H new ATOM 0 HA ILE A 50 3.844 -3.065 -8.558 1.00 0.00 H new ATOM 0 HB ILE A 50 6.219 -3.264 -7.626 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.998 -1.172 -8.899 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.536 -1.325 -9.853 1.00 0.00 H new ATOM 0 HG21 ILE A 50 8.052 -3.258 -9.271 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.118 -4.771 -9.335 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.875 -3.522 -10.579 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.225 0.265 -8.021 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.166 -1.149 -7.807 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.651 -0.994 -6.838 1.00 0.00 H new ATOM 801 N LYS A 51 4.801 -4.776 -11.167 1.00 0.00 N ATOM 802 CA LYS A 51 4.675 -4.904 -12.614 1.00 0.00 C ATOM 803 C LYS A 51 3.214 -5.072 -13.020 1.00 0.00 C ATOM 804 O LYS A 51 2.788 -4.570 -14.060 1.00 0.00 O ATOM 805 CB LYS A 51 5.495 -6.095 -13.115 1.00 0.00 C ATOM 806 CG LYS A 51 6.953 -6.049 -12.694 1.00 0.00 C ATOM 807 CD LYS A 51 7.844 -6.771 -13.691 1.00 0.00 C ATOM 808 CE LYS A 51 8.270 -5.852 -14.825 1.00 0.00 C ATOM 809 NZ LYS A 51 9.133 -6.555 -15.814 1.00 0.00 N ATOM 0 H LYS A 51 5.180 -5.601 -10.703 1.00 0.00 H new ATOM 0 HA LYS A 51 5.058 -3.990 -13.069 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.047 -7.016 -12.743 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.441 -6.131 -14.203 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.274 -5.011 -12.603 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.063 -6.504 -11.710 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.727 -7.154 -13.180 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.313 -7.631 -14.098 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.385 -5.461 -15.328 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.808 -4.997 -14.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.402 -5.895 -16.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.990 -6.906 -15.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.611 -7.356 -16.223 1.00 0.00 H new ATOM 823 N GLU A 52 2.452 -5.779 -12.191 1.00 0.00 N ATOM 824 CA GLU A 52 1.039 -6.011 -12.466 1.00 0.00 C ATOM 825 C GLU A 52 0.168 -4.991 -11.737 1.00 0.00 C ATOM 826 O GLU A 52 -1.045 -4.936 -11.940 1.00 0.00 O ATOM 827 CB GLU A 52 0.642 -7.428 -12.047 1.00 0.00 C ATOM 828 CG GLU A 52 1.762 -8.443 -12.196 1.00 0.00 C ATOM 829 CD GLU A 52 1.943 -8.907 -13.629 1.00 0.00 C ATOM 830 OE1 GLU A 52 2.652 -8.218 -14.391 1.00 0.00 O ATOM 831 OE2 GLU A 52 1.375 -9.960 -13.987 1.00 0.00 O ATOM 0 H GLU A 52 2.789 -6.200 -11.325 1.00 0.00 H new ATOM 0 HA GLU A 52 0.880 -5.898 -13.538 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.314 -7.412 -11.008 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.210 -7.749 -12.646 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.694 -8.005 -11.840 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.553 -9.305 -11.563 1.00 0.00 H new ATOM 838 N PHE A 53 0.796 -4.186 -10.887 1.00 0.00 N ATOM 839 CA PHE A 53 0.080 -3.168 -10.126 1.00 0.00 C ATOM 840 C PHE A 53 -0.417 -2.054 -11.042 1.00 0.00 C ATOM 841 O PHE A 53 0.374 -1.294 -11.602 1.00 0.00 O ATOM 842 CB PHE A 53 0.984 -2.584 -9.038 1.00 0.00 C ATOM 843 CG PHE A 53 0.546 -1.230 -8.559 1.00 0.00 C ATOM 844 CD1 PHE A 53 0.959 -0.081 -9.215 1.00 0.00 C ATOM 845 CD2 PHE A 53 -0.278 -1.105 -7.453 1.00 0.00 C ATOM 846 CE1 PHE A 53 0.558 1.166 -8.775 1.00 0.00 C ATOM 847 CE2 PHE A 53 -0.683 0.140 -7.009 1.00 0.00 C ATOM 848 CZ PHE A 53 -0.265 1.277 -7.672 1.00 0.00 C ATOM 0 H PHE A 53 1.800 -4.218 -10.707 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.783 -3.641 -9.657 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.009 -3.270 -8.191 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.002 -2.513 -9.422 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.601 -0.161 -10.080 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.608 -1.991 -6.931 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.888 2.054 -9.294 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.325 0.223 -6.145 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.581 2.251 -7.328 1.00 0.00 H new ATOM 858 N LYS A 54 -1.734 -1.963 -11.192 1.00 0.00 N ATOM 859 CA LYS A 54 -2.340 -0.942 -12.039 1.00 0.00 C ATOM 860 C LYS A 54 -2.545 0.356 -11.264 1.00 0.00 C ATOM 861 O LYS A 54 -2.128 1.426 -11.707 1.00 0.00 O ATOM 862 CB LYS A 54 -3.679 -1.437 -12.590 1.00 0.00 C ATOM 863 CG LYS A 54 -4.231 -0.574 -13.712 1.00 0.00 C ATOM 864 CD LYS A 54 -5.621 -1.025 -14.130 1.00 0.00 C ATOM 865 CE LYS A 54 -6.417 0.118 -14.741 1.00 0.00 C ATOM 866 NZ LYS A 54 -5.987 0.408 -16.138 1.00 0.00 N ATOM 0 H LYS A 54 -2.403 -2.585 -10.738 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.663 -0.745 -12.870 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.558 -2.457 -12.954 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.406 -1.472 -11.778 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.267 0.466 -13.388 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.560 -0.618 -14.570 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.539 -1.839 -14.850 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.153 -1.418 -13.264 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.478 -0.132 -14.732 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.295 1.013 -14.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.553 1.193 -16.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.981 0.672 -16.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.127 -0.438 -16.727 1.00 0.00 H new ATOM 880 N TYR A 55 -3.189 0.253 -10.107 1.00 0.00 N ATOM 881 CA TYR A 55 -3.449 1.420 -9.271 1.00 0.00 C ATOM 882 C TYR A 55 -3.810 1.001 -7.849 1.00 0.00 C ATOM 883 O TYR A 55 -3.968 -0.184 -7.560 1.00 0.00 O ATOM 884 CB TYR A 55 -4.579 2.259 -9.870 1.00 0.00 C ATOM 885 CG TYR A 55 -5.911 1.544 -9.908 1.00 0.00 C ATOM 886 CD1 TYR A 55 -6.746 1.531 -8.797 1.00 0.00 C ATOM 887 CD2 TYR A 55 -6.333 0.879 -11.052 1.00 0.00 C ATOM 888 CE1 TYR A 55 -7.963 0.878 -8.827 1.00 0.00 C ATOM 889 CE2 TYR A 55 -7.549 0.225 -11.091 1.00 0.00 C ATOM 890 CZ TYR A 55 -8.360 0.227 -9.976 1.00 0.00 C ATOM 891 OH TYR A 55 -9.572 -0.424 -10.010 1.00 0.00 O ATOM 0 H TYR A 55 -3.541 -0.626 -9.726 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.540 2.020 -9.234 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.685 3.176 -9.291 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.305 2.552 -10.883 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.438 2.040 -7.895 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.699 0.873 -11.926 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.600 0.877 -7.955 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -7.863 -0.285 -11.990 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.701 -0.830 -10.893 1.00 0.00 H new ATOM 901 N ALA A 56 -3.938 1.985 -6.965 1.00 0.00 N ATOM 902 CA ALA A 56 -4.283 1.721 -5.573 1.00 0.00 C ATOM 903 C ALA A 56 -5.294 2.739 -5.056 1.00 0.00 C ATOM 904 O ALA A 56 -5.193 3.932 -5.345 1.00 0.00 O ATOM 905 CB ALA A 56 -3.031 1.731 -4.709 1.00 0.00 C ATOM 0 H ALA A 56 -3.808 2.972 -7.188 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.741 0.733 -5.518 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.303 1.533 -3.672 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.342 0.961 -5.057 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.549 2.706 -4.778 1.00 0.00 H new ATOM 911 N LEU A 57 -6.268 2.261 -4.289 1.00 0.00 N ATOM 912 CA LEU A 57 -7.299 3.129 -3.731 1.00 0.00 C ATOM 913 C LEU A 57 -7.060 3.371 -2.244 1.00 0.00 C ATOM 914 O LEU A 57 -7.389 2.531 -1.407 1.00 0.00 O ATOM 915 CB LEU A 57 -8.683 2.513 -3.944 1.00 0.00 C ATOM 916 CG LEU A 57 -9.011 2.077 -5.372 1.00 0.00 C ATOM 917 CD1 LEU A 57 -10.346 1.350 -5.414 1.00 0.00 C ATOM 918 CD2 LEU A 57 -9.026 3.278 -6.306 1.00 0.00 C ATOM 0 H LEU A 57 -6.365 1.277 -4.039 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.252 4.087 -4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.777 1.646 -3.290 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.434 3.236 -3.625 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.235 1.390 -5.709 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.563 1.047 -6.438 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.300 0.467 -4.776 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.133 2.014 -5.057 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.261 2.949 -7.318 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.781 3.990 -5.971 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.047 3.757 -6.299 1.00 0.00 H new ATOM 930 N VAL A 58 -6.487 4.527 -1.923 1.00 0.00 N ATOM 931 CA VAL A 58 -6.208 4.882 -0.537 1.00 0.00 C ATOM 932 C VAL A 58 -7.433 5.495 0.132 1.00 0.00 C ATOM 933 O VAL A 58 -8.129 6.319 -0.461 1.00 0.00 O ATOM 934 CB VAL A 58 -5.033 5.874 -0.437 1.00 0.00 C ATOM 935 CG1 VAL A 58 -4.860 6.355 0.995 1.00 0.00 C ATOM 936 CG2 VAL A 58 -3.752 5.235 -0.953 1.00 0.00 C ATOM 0 H VAL A 58 -6.207 5.233 -2.604 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.941 3.959 -0.023 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.257 6.740 -1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.026 7.055 1.046 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.772 6.853 1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.658 5.502 1.643 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.932 5.949 -0.875 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.521 4.351 -0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.884 4.946 -1.996 1.00 0.00 H new ATOM 946 N TRP A 59 -7.691 5.087 1.369 1.00 0.00 N ATOM 947 CA TRP A 59 -8.833 5.596 2.119 1.00 0.00 C ATOM 948 C TRP A 59 -8.390 6.180 3.456 1.00 0.00 C ATOM 949 O TRP A 59 -8.252 5.460 4.444 1.00 0.00 O ATOM 950 CB TRP A 59 -9.856 4.483 2.349 1.00 0.00 C ATOM 951 CG TRP A 59 -10.647 4.140 1.123 1.00 0.00 C ATOM 952 CD1 TRP A 59 -11.715 4.824 0.619 1.00 0.00 C ATOM 953 CD2 TRP A 59 -10.432 3.027 0.248 1.00 0.00 C ATOM 954 NE1 TRP A 59 -12.178 4.204 -0.517 1.00 0.00 N ATOM 955 CE2 TRP A 59 -11.407 3.100 -0.766 1.00 0.00 C ATOM 956 CE3 TRP A 59 -9.510 1.978 0.221 1.00 0.00 C ATOM 957 CZ2 TRP A 59 -11.484 2.162 -1.793 1.00 0.00 C ATOM 958 CZ3 TRP A 59 -9.588 1.048 -0.798 1.00 0.00 C ATOM 959 CH2 TRP A 59 -10.569 1.145 -1.794 1.00 0.00 C ATOM 0 H TRP A 59 -7.125 4.405 1.874 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.296 6.390 1.532 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -9.338 3.590 2.700 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.541 4.787 3.141 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -12.135 5.721 1.050 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -12.968 4.516 -1.083 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.749 1.895 0.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -12.239 2.235 -2.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -8.881 0.232 -0.827 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -10.603 0.403 -2.578 1.00 0.00 H new ATOM 970 N GLY A 60 -8.169 7.491 3.481 1.00 0.00 N ATOM 971 CA GLY A 60 -7.743 8.149 4.702 1.00 0.00 C ATOM 972 C GLY A 60 -7.353 9.596 4.476 1.00 0.00 C ATOM 973 O GLY A 60 -7.433 10.101 3.355 1.00 0.00 O ATOM 0 H GLY A 60 -8.278 8.109 2.677 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.548 8.103 5.435 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.896 7.610 5.125 1.00 0.00 H new ATOM 977 N LEU A 61 -6.930 10.267 5.542 1.00 0.00 N ATOM 978 CA LEU A 61 -6.527 11.666 5.455 1.00 0.00 C ATOM 979 C LEU A 61 -5.425 11.852 4.417 1.00 0.00 C ATOM 980 O LEU A 61 -5.119 12.975 4.016 1.00 0.00 O ATOM 981 CB LEU A 61 -6.048 12.165 6.819 1.00 0.00 C ATOM 982 CG LEU A 61 -6.885 11.732 8.024 1.00 0.00 C ATOM 983 CD1 LEU A 61 -8.356 11.645 7.648 1.00 0.00 C ATOM 984 CD2 LEU A 61 -6.390 10.399 8.565 1.00 0.00 C ATOM 0 H LEU A 61 -6.857 9.865 6.476 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.394 12.249 5.146 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.025 11.821 6.970 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.018 13.254 6.795 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.776 12.482 8.807 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.936 11.336 8.517 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.703 12.621 7.309 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -8.485 10.916 6.848 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.997 10.106 9.422 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.469 9.639 7.788 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.349 10.496 8.874 1.00 0.00 H new ATOM 996 N SER A 62 -4.834 10.743 3.984 1.00 0.00 N ATOM 997 CA SER A 62 -3.765 10.783 2.994 1.00 0.00 C ATOM 998 C SER A 62 -4.252 11.417 1.694 1.00 0.00 C ATOM 999 O SER A 62 -3.466 11.979 0.931 1.00 0.00 O ATOM 1000 CB SER A 62 -3.240 9.373 2.721 1.00 0.00 C ATOM 1001 OG SER A 62 -2.440 9.343 1.551 1.00 0.00 O ATOM 0 H SER A 62 -5.078 9.806 4.304 1.00 0.00 H new ATOM 0 HA SER A 62 -2.955 11.393 3.395 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.655 9.028 3.574 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.078 8.685 2.610 1.00 0.00 H new ATOM 0 HG SER A 62 -1.868 8.547 1.566 1.00 0.00 H new ATOM 1007 N VAL A 63 -5.555 11.322 1.449 1.00 0.00 N ATOM 1008 CA VAL A 63 -6.149 11.887 0.243 1.00 0.00 C ATOM 1009 C VAL A 63 -7.272 12.858 0.586 1.00 0.00 C ATOM 1010 O VAL A 63 -7.759 12.887 1.717 1.00 0.00 O ATOM 1011 CB VAL A 63 -6.702 10.784 -0.679 1.00 0.00 C ATOM 1012 CG1 VAL A 63 -5.567 9.955 -1.261 1.00 0.00 C ATOM 1013 CG2 VAL A 63 -7.684 9.902 0.077 1.00 0.00 C ATOM 0 H VAL A 63 -6.219 10.859 2.069 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.357 12.423 -0.279 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.234 11.257 -1.504 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.977 9.181 -1.910 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.905 10.600 -1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.004 9.490 -0.452 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.065 9.128 -0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.178 9.436 0.923 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.513 10.509 0.440 1.00 0.00 H new ATOM 1023 N LYS A 64 -7.682 13.652 -0.397 1.00 0.00 N ATOM 1024 CA LYS A 64 -8.750 14.625 -0.201 1.00 0.00 C ATOM 1025 C LYS A 64 -10.105 14.024 -0.561 1.00 0.00 C ATOM 1026 O LYS A 64 -11.108 14.287 0.103 1.00 0.00 O ATOM 1027 CB LYS A 64 -8.492 15.873 -1.048 1.00 0.00 C ATOM 1028 CG LYS A 64 -7.409 16.777 -0.485 1.00 0.00 C ATOM 1029 CD LYS A 64 -6.033 16.381 -0.994 1.00 0.00 C ATOM 1030 CE LYS A 64 -5.099 17.580 -1.065 1.00 0.00 C ATOM 1031 NZ LYS A 64 -5.485 18.520 -2.154 1.00 0.00 N ATOM 0 H LYS A 64 -7.290 13.641 -1.339 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.765 14.905 0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.210 15.566 -2.055 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.418 16.441 -1.135 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.617 17.811 -0.761 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.423 16.729 0.604 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.605 15.623 -0.337 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.125 15.931 -1.982 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.110 18.106 -0.110 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.078 17.236 -1.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.667 19.110 -2.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.795 17.979 -2.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.263 19.129 -1.828 1.00 0.00 H new ATOM 1045 N HIS A 65 -10.128 13.216 -1.616 1.00 0.00 N ATOM 1046 CA HIS A 65 -11.360 12.576 -2.063 1.00 0.00 C ATOM 1047 C HIS A 65 -11.141 11.087 -2.309 1.00 0.00 C ATOM 1048 O HIS A 65 -10.435 10.699 -3.239 1.00 0.00 O ATOM 1049 CB HIS A 65 -11.874 13.246 -3.338 1.00 0.00 C ATOM 1050 CG HIS A 65 -12.149 14.709 -3.178 1.00 0.00 C ATOM 1051 ND1 HIS A 65 -12.892 15.225 -2.137 1.00 0.00 N ATOM 1052 CD2 HIS A 65 -11.774 15.768 -3.932 1.00 0.00 C ATOM 1053 CE1 HIS A 65 -12.964 16.539 -2.260 1.00 0.00 C ATOM 1054 NE2 HIS A 65 -12.293 16.894 -3.341 1.00 0.00 N ATOM 0 H HIS A 65 -9.307 12.989 -2.177 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.105 12.690 -1.276 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.140 13.108 -4.132 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -12.788 12.746 -3.658 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -11.177 15.734 -4.832 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -13.483 17.209 -1.590 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -12.179 17.849 -3.681 1.00 0.00 H new ATOM 1063 N ASN A 66 -11.750 10.257 -1.468 1.00 0.00 N ATOM 1064 CA ASN A 66 -11.620 8.810 -1.594 1.00 0.00 C ATOM 1065 C ASN A 66 -12.947 8.178 -2.001 1.00 0.00 C ATOM 1066 O ASN A 66 -14.026 8.688 -1.698 1.00 0.00 O ATOM 1067 CB ASN A 66 -11.138 8.204 -0.274 1.00 0.00 C ATOM 1068 CG ASN A 66 -12.214 8.214 0.794 1.00 0.00 C ATOM 1069 OD1 ASN A 66 -13.254 7.572 0.650 1.00 0.00 O ATOM 1070 ND2 ASN A 66 -11.967 8.946 1.875 1.00 0.00 N ATOM 0 H ASN A 66 -12.338 10.562 -0.692 1.00 0.00 H new ATOM 0 HA ASN A 66 -10.885 8.603 -2.372 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -10.811 7.179 -0.446 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.271 8.760 0.083 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -12.654 8.992 2.628 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.091 9.462 1.952 1.00 0.00 H new ATOM 1077 N PRO A 67 -12.869 7.039 -2.705 1.00 0.00 N ATOM 1078 CA PRO A 67 -11.591 6.422 -3.073 1.00 0.00 C ATOM 1079 C PRO A 67 -10.834 7.235 -4.118 1.00 0.00 C ATOM 1080 O PRO A 67 -11.433 7.790 -5.038 1.00 0.00 O ATOM 1081 CB PRO A 67 -12.004 5.065 -3.648 1.00 0.00 C ATOM 1082 CG PRO A 67 -13.398 5.268 -4.134 1.00 0.00 C ATOM 1083 CD PRO A 67 -14.022 6.266 -3.197 1.00 0.00 C ATOM 0 HA PRO A 67 -10.913 6.351 -2.222 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.342 4.761 -4.459 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -11.959 4.283 -2.890 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.404 5.638 -5.159 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -13.953 4.330 -4.131 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -14.743 6.902 -3.710 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -14.554 5.774 -2.382 1.00 0.00 H new ATOM 1091 N GLN A 68 -9.515 7.300 -3.969 1.00 0.00 N ATOM 1092 CA GLN A 68 -8.677 8.046 -4.900 1.00 0.00 C ATOM 1093 C GLN A 68 -7.761 7.108 -5.679 1.00 0.00 C ATOM 1094 O GLN A 68 -7.118 6.231 -5.102 1.00 0.00 O ATOM 1095 CB GLN A 68 -7.844 9.086 -4.149 1.00 0.00 C ATOM 1096 CG GLN A 68 -7.275 10.173 -5.046 1.00 0.00 C ATOM 1097 CD GLN A 68 -6.801 11.384 -4.267 1.00 0.00 C ATOM 1098 OE1 GLN A 68 -7.602 12.218 -3.845 1.00 0.00 O ATOM 1099 NE2 GLN A 68 -5.491 11.487 -4.072 1.00 0.00 N ATOM 0 H GLN A 68 -9.004 6.845 -3.213 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.330 8.557 -5.608 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.463 9.548 -3.380 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.024 8.582 -3.638 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.442 9.766 -5.620 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.036 10.482 -5.763 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.863 10.772 -4.440 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.113 12.281 -3.555 1.00 0.00 H new ATOM 1108 N LYS A 69 -7.706 7.299 -6.993 1.00 0.00 N ATOM 1109 CA LYS A 69 -6.867 6.471 -7.852 1.00 0.00 C ATOM 1110 C LYS A 69 -5.410 6.918 -7.784 1.00 0.00 C ATOM 1111 O LYS A 69 -5.033 7.932 -8.372 1.00 0.00 O ATOM 1112 CB LYS A 69 -7.364 6.535 -9.298 1.00 0.00 C ATOM 1113 CG LYS A 69 -6.963 5.331 -10.132 1.00 0.00 C ATOM 1114 CD LYS A 69 -7.852 5.178 -11.355 1.00 0.00 C ATOM 1115 CE LYS A 69 -7.389 4.033 -12.242 1.00 0.00 C ATOM 1116 NZ LYS A 69 -6.369 4.475 -13.232 1.00 0.00 N ATOM 0 H LYS A 69 -8.233 8.020 -7.486 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.930 5.442 -7.497 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.451 6.620 -9.297 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.974 7.438 -9.768 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.925 5.435 -10.447 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.023 4.429 -9.523 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.880 5.002 -11.039 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.849 6.106 -11.926 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.973 3.239 -11.622 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.246 3.611 -12.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.079 3.665 -13.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.774 5.215 -13.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.540 4.854 -12.731 1.00 0.00 H new ATOM 1130 N VAL A 70 -4.595 6.154 -7.064 1.00 0.00 N ATOM 1131 CA VAL A 70 -3.179 6.469 -6.922 1.00 0.00 C ATOM 1132 C VAL A 70 -2.313 5.457 -7.663 1.00 0.00 C ATOM 1133 O VAL A 70 -2.793 4.408 -8.090 1.00 0.00 O ATOM 1134 CB VAL A 70 -2.757 6.502 -5.441 1.00 0.00 C ATOM 1135 CG1 VAL A 70 -3.622 7.479 -4.660 1.00 0.00 C ATOM 1136 CG2 VAL A 70 -2.833 5.108 -4.835 1.00 0.00 C ATOM 0 H VAL A 70 -4.891 5.312 -6.570 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.030 7.457 -7.357 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.723 6.843 -5.383 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.309 7.488 -3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.512 8.479 -5.081 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.666 7.171 -4.723 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.532 5.149 -3.788 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.855 4.737 -4.904 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.166 4.438 -5.378 1.00 0.00 H new ATOM 1146 N GLY A 71 -1.031 5.780 -7.813 1.00 0.00 N ATOM 1147 CA GLY A 71 -0.118 4.888 -8.503 1.00 0.00 C ATOM 1148 C GLY A 71 0.898 4.262 -7.569 1.00 0.00 C ATOM 1149 O GLY A 71 0.601 3.996 -6.404 1.00 0.00 O ATOM 0 H GLY A 71 -0.610 6.643 -7.469 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.688 4.100 -8.996 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.404 5.441 -9.285 1.00 0.00 H new ATOM 1153 N LYS A 72 2.102 4.025 -8.079 1.00 0.00 N ATOM 1154 CA LYS A 72 3.167 3.425 -7.284 1.00 0.00 C ATOM 1155 C LYS A 72 4.074 4.499 -6.692 1.00 0.00 C ATOM 1156 O LYS A 72 4.958 4.204 -5.888 1.00 0.00 O ATOM 1157 CB LYS A 72 3.991 2.461 -8.140 1.00 0.00 C ATOM 1158 CG LYS A 72 4.603 3.111 -9.369 1.00 0.00 C ATOM 1159 CD LYS A 72 5.817 2.340 -9.860 1.00 0.00 C ATOM 1160 CE LYS A 72 6.582 3.121 -10.919 1.00 0.00 C ATOM 1161 NZ LYS A 72 6.061 2.855 -12.288 1.00 0.00 N ATOM 0 H LYS A 72 2.365 4.240 -9.041 1.00 0.00 H new ATOM 0 HA LYS A 72 2.707 2.871 -6.466 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.788 2.036 -7.529 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.355 1.634 -8.455 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.858 3.163 -10.163 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.892 4.136 -9.134 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.476 2.123 -9.019 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.499 1.382 -10.271 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.512 4.187 -10.705 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.638 2.855 -10.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.608 3.405 -12.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.151 1.841 -12.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.060 3.132 -12.338 1.00 0.00 H new ATOM 1175 N ASP A 73 3.849 5.745 -7.095 1.00 0.00 N ATOM 1176 CA ASP A 73 4.645 6.864 -6.602 1.00 0.00 C ATOM 1177 C ASP A 73 3.955 7.545 -5.425 1.00 0.00 C ATOM 1178 O ASP A 73 4.487 8.490 -4.842 1.00 0.00 O ATOM 1179 CB ASP A 73 4.887 7.876 -7.722 1.00 0.00 C ATOM 1180 CG ASP A 73 6.076 8.775 -7.442 1.00 0.00 C ATOM 1181 OD1 ASP A 73 7.218 8.271 -7.463 1.00 0.00 O ATOM 1182 OD2 ASP A 73 5.864 9.983 -7.203 1.00 0.00 O ATOM 0 H ASP A 73 3.122 6.006 -7.762 1.00 0.00 H new ATOM 0 HA ASP A 73 5.604 6.474 -6.261 1.00 0.00 H new ATOM 0 HB2 ASP A 73 5.050 7.344 -8.659 1.00 0.00 H new ATOM 0 HB3 ASP A 73 3.995 8.488 -7.854 1.00 0.00 H new ATOM 1187 N HIS A 74 2.767 7.058 -5.079 1.00 0.00 N ATOM 1188 CA HIS A 74 2.003 7.621 -3.971 1.00 0.00 C ATOM 1189 C HIS A 74 2.573 7.164 -2.631 1.00 0.00 C ATOM 1190 O HIS A 74 3.098 6.056 -2.513 1.00 0.00 O ATOM 1191 CB HIS A 74 0.533 7.214 -4.078 1.00 0.00 C ATOM 1192 CG HIS A 74 -0.278 7.576 -2.872 1.00 0.00 C ATOM 1193 ND1 HIS A 74 -0.877 8.807 -2.710 1.00 0.00 N ATOM 1194 CD2 HIS A 74 -0.589 6.859 -1.767 1.00 0.00 C ATOM 1195 CE1 HIS A 74 -1.520 8.833 -1.556 1.00 0.00 C ATOM 1196 NE2 HIS A 74 -1.362 7.662 -0.965 1.00 0.00 N ATOM 0 H HIS A 74 2.313 6.275 -5.550 1.00 0.00 H new ATOM 0 HA HIS A 74 2.076 8.707 -4.026 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.096 7.690 -4.956 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.473 6.137 -4.236 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -0.831 9.577 -3.377 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.286 5.844 -1.555 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.079 9.669 -1.163 1.00 0.00 H new ATOM 1205 N THR A 75 2.468 8.025 -1.624 1.00 0.00 N ATOM 1206 CA THR A 75 2.974 7.710 -0.294 1.00 0.00 C ATOM 1207 C THR A 75 1.872 7.145 0.595 1.00 0.00 C ATOM 1208 O THR A 75 0.756 7.665 0.624 1.00 0.00 O ATOM 1209 CB THR A 75 3.578 8.954 0.385 1.00 0.00 C ATOM 1210 OG1 THR A 75 4.570 9.542 -0.463 1.00 0.00 O ATOM 1211 CG2 THR A 75 4.200 8.590 1.725 1.00 0.00 C ATOM 0 H THR A 75 2.037 8.946 -1.704 1.00 0.00 H new ATOM 0 HA THR A 75 3.754 6.959 -0.422 1.00 0.00 H new ATOM 0 HB THR A 75 2.776 9.672 0.557 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.948 10.333 -0.025 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.620 9.484 2.186 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.436 8.170 2.379 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.990 7.855 1.572 1.00 0.00 H new ATOM 1219 N LEU A 76 2.191 6.078 1.318 1.00 0.00 N ATOM 1220 CA LEU A 76 1.228 5.441 2.210 1.00 0.00 C ATOM 1221 C LEU A 76 1.233 6.107 3.582 1.00 0.00 C ATOM 1222 O LEU A 76 2.200 6.769 3.957 1.00 0.00 O ATOM 1223 CB LEU A 76 1.541 3.951 2.352 1.00 0.00 C ATOM 1224 CG LEU A 76 1.119 3.061 1.182 1.00 0.00 C ATOM 1225 CD1 LEU A 76 1.755 1.685 1.301 1.00 0.00 C ATOM 1226 CD2 LEU A 76 -0.398 2.947 1.120 1.00 0.00 C ATOM 0 H LEU A 76 3.110 5.635 1.304 1.00 0.00 H new ATOM 0 HA LEU A 76 0.236 5.557 1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.615 3.838 2.499 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.055 3.583 3.256 1.00 0.00 H new ATOM 0 HG LEU A 76 1.467 3.520 0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.443 1.066 0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.840 1.784 1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.438 1.217 2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.681 2.310 0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.768 2.511 2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.832 3.938 0.986 1.00 0.00 H new ATOM 1238 N GLU A 77 0.147 5.924 4.327 1.00 0.00 N ATOM 1239 CA GLU A 77 0.028 6.506 5.659 1.00 0.00 C ATOM 1240 C GLU A 77 -0.467 5.470 6.663 1.00 0.00 C ATOM 1241 O GLU A 77 -1.151 4.514 6.299 1.00 0.00 O ATOM 1242 CB GLU A 77 -0.924 7.704 5.633 1.00 0.00 C ATOM 1243 CG GLU A 77 -0.309 8.958 5.036 1.00 0.00 C ATOM 1244 CD GLU A 77 0.980 9.361 5.725 1.00 0.00 C ATOM 1245 OE1 GLU A 77 1.179 8.963 6.892 1.00 0.00 O ATOM 1246 OE2 GLU A 77 1.789 10.076 5.098 1.00 0.00 O ATOM 0 H GLU A 77 -0.662 5.378 4.031 1.00 0.00 H new ATOM 0 HA GLU A 77 1.017 6.844 5.970 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.813 7.438 5.061 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.251 7.919 6.650 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.114 8.793 3.976 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.025 9.777 5.105 1.00 0.00 H new ATOM 1253 N ASP A 78 -0.115 5.667 7.929 1.00 0.00 N ATOM 1254 CA ASP A 78 -0.523 4.750 8.988 1.00 0.00 C ATOM 1255 C ASP A 78 -2.043 4.646 9.060 1.00 0.00 C ATOM 1256 O ASP A 78 -2.755 5.596 8.737 1.00 0.00 O ATOM 1257 CB ASP A 78 0.034 5.213 10.335 1.00 0.00 C ATOM 1258 CG ASP A 78 -0.787 4.708 11.505 1.00 0.00 C ATOM 1259 OD1 ASP A 78 -1.779 5.374 11.865 1.00 0.00 O ATOM 1260 OD2 ASP A 78 -0.436 3.646 12.061 1.00 0.00 O ATOM 0 H ASP A 78 0.452 6.453 8.247 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.120 3.764 8.757 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.062 4.865 10.439 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.062 6.302 10.358 1.00 0.00 H new ATOM 1265 N GLU A 79 -2.532 3.485 9.485 1.00 0.00 N ATOM 1266 CA GLU A 79 -3.968 3.258 9.597 1.00 0.00 C ATOM 1267 C GLU A 79 -4.680 3.619 8.296 1.00 0.00 C ATOM 1268 O GLU A 79 -5.792 4.146 8.311 1.00 0.00 O ATOM 1269 CB GLU A 79 -4.548 4.076 10.753 1.00 0.00 C ATOM 1270 CG GLU A 79 -4.110 3.588 12.123 1.00 0.00 C ATOM 1271 CD GLU A 79 -5.012 2.499 12.671 1.00 0.00 C ATOM 1272 OE1 GLU A 79 -6.204 2.475 12.300 1.00 0.00 O ATOM 1273 OE2 GLU A 79 -4.526 1.672 13.470 1.00 0.00 O ATOM 0 H GLU A 79 -1.956 2.688 9.757 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.127 2.198 9.796 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.250 5.118 10.635 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.636 4.047 10.697 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.089 3.212 12.061 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.098 4.428 12.817 1.00 0.00 H new ATOM 1280 N ASP A 80 -4.029 3.333 7.174 1.00 0.00 N ATOM 1281 CA ASP A 80 -4.599 3.626 5.864 1.00 0.00 C ATOM 1282 C ASP A 80 -4.883 2.340 5.094 1.00 0.00 C ATOM 1283 O ASP A 80 -4.091 1.398 5.126 1.00 0.00 O ATOM 1284 CB ASP A 80 -3.651 4.518 5.060 1.00 0.00 C ATOM 1285 CG ASP A 80 -4.249 4.955 3.738 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -4.446 4.088 2.860 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -4.521 6.163 3.580 1.00 0.00 O ATOM 0 H ASP A 80 -3.107 2.899 7.145 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.541 4.153 6.015 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.398 5.399 5.650 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.721 3.981 4.875 1.00 0.00 H new ATOM 1292 N VAL A 81 -6.018 2.308 4.403 1.00 0.00 N ATOM 1293 CA VAL A 81 -6.406 1.138 3.625 1.00 0.00 C ATOM 1294 C VAL A 81 -6.081 1.328 2.148 1.00 0.00 C ATOM 1295 O VAL A 81 -6.350 2.383 1.573 1.00 0.00 O ATOM 1296 CB VAL A 81 -7.910 0.840 3.773 1.00 0.00 C ATOM 1297 CG1 VAL A 81 -8.318 -0.311 2.866 1.00 0.00 C ATOM 1298 CG2 VAL A 81 -8.251 0.533 5.224 1.00 0.00 C ATOM 0 H VAL A 81 -6.685 3.079 4.366 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.835 0.295 4.015 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.470 1.725 3.471 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.384 -0.507 2.984 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.110 -0.048 1.829 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.753 -1.204 3.134 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.317 0.325 5.311 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.683 -0.337 5.555 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.997 1.391 5.847 1.00 0.00 H new ATOM 1308 N ILE A 82 -5.500 0.300 1.539 1.00 0.00 N ATOM 1309 CA ILE A 82 -5.138 0.352 0.128 1.00 0.00 C ATOM 1310 C ILE A 82 -5.616 -0.894 -0.609 1.00 0.00 C ATOM 1311 O ILE A 82 -5.578 -1.999 -0.068 1.00 0.00 O ATOM 1312 CB ILE A 82 -3.616 0.494 -0.059 1.00 0.00 C ATOM 1313 CG1 ILE A 82 -3.269 0.578 -1.547 1.00 0.00 C ATOM 1314 CG2 ILE A 82 -2.892 -0.672 0.595 1.00 0.00 C ATOM 1315 CD1 ILE A 82 -1.855 1.047 -1.811 1.00 0.00 C ATOM 0 H ILE A 82 -5.270 -0.580 2.001 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.630 1.230 -0.291 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.289 1.415 0.423 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.409 -0.403 -2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.966 1.258 -2.037 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.817 -0.558 0.455 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.119 -0.689 1.661 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.220 -1.606 0.139 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.678 1.083 -2.886 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.716 2.042 -1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.150 0.355 -1.350 1.00 0.00 H new ATOM 1327 N GLN A 83 -6.062 -0.709 -1.847 1.00 0.00 N ATOM 1328 CA GLN A 83 -6.546 -1.820 -2.659 1.00 0.00 C ATOM 1329 C GLN A 83 -5.657 -2.029 -3.880 1.00 0.00 C ATOM 1330 O GLN A 83 -5.801 -1.339 -4.890 1.00 0.00 O ATOM 1331 CB GLN A 83 -7.988 -1.566 -3.100 1.00 0.00 C ATOM 1332 CG GLN A 83 -8.543 -2.647 -4.014 1.00 0.00 C ATOM 1333 CD GLN A 83 -10.058 -2.642 -4.070 1.00 0.00 C ATOM 1334 OE1 GLN A 83 -10.702 -1.660 -3.699 1.00 0.00 O ATOM 1335 NE2 GLN A 83 -10.637 -3.742 -4.536 1.00 0.00 N ATOM 0 H GLN A 83 -6.098 0.199 -2.310 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.514 -2.724 -2.050 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.621 -1.488 -2.216 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.039 -0.606 -3.614 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -8.146 -2.507 -5.019 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -8.199 -3.622 -3.668 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -10.065 -4.533 -4.833 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.654 -3.796 -4.597 1.00 0.00 H new ATOM 1344 N ILE A 84 -4.739 -2.984 -3.781 1.00 0.00 N ATOM 1345 CA ILE A 84 -3.827 -3.284 -4.878 1.00 0.00 C ATOM 1346 C ILE A 84 -4.566 -3.928 -6.046 1.00 0.00 C ATOM 1347 O ILE A 84 -4.916 -5.107 -6.000 1.00 0.00 O ATOM 1348 CB ILE A 84 -2.691 -4.220 -4.426 1.00 0.00 C ATOM 1349 CG1 ILE A 84 -1.862 -3.556 -3.324 1.00 0.00 C ATOM 1350 CG2 ILE A 84 -1.809 -4.592 -5.608 1.00 0.00 C ATOM 1351 CD1 ILE A 84 -1.169 -2.288 -3.770 1.00 0.00 C ATOM 0 H ILE A 84 -4.607 -3.564 -2.952 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.398 -2.335 -5.200 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.131 -5.133 -4.024 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.512 -3.327 -2.479 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.113 -4.263 -2.968 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.011 -5.254 -5.272 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.408 -5.100 -6.363 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.375 -3.689 -6.037 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.600 -1.872 -2.938 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.493 -2.514 -4.595 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.913 -1.563 -4.099 1.00 0.00 H new ATOM 1363 N VAL A 85 -4.799 -3.145 -7.095 1.00 0.00 N ATOM 1364 CA VAL A 85 -5.494 -3.639 -8.278 1.00 0.00 C ATOM 1365 C VAL A 85 -4.506 -4.087 -9.349 1.00 0.00 C ATOM 1366 O VAL A 85 -3.524 -3.400 -9.630 1.00 0.00 O ATOM 1367 CB VAL A 85 -6.425 -2.565 -8.871 1.00 0.00 C ATOM 1368 CG1 VAL A 85 -6.810 -2.921 -10.299 1.00 0.00 C ATOM 1369 CG2 VAL A 85 -7.663 -2.394 -8.003 1.00 0.00 C ATOM 0 H VAL A 85 -4.517 -2.166 -7.150 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.092 -4.493 -7.960 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.889 -1.616 -8.890 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.468 -2.151 -10.701 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.911 -2.987 -10.912 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.327 -3.881 -10.308 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -8.309 -1.631 -8.437 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -8.203 -3.339 -7.949 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.365 -2.089 -7.000 1.00 0.00 H new ATOM 1379 N LYS A 86 -4.772 -5.244 -9.945 1.00 0.00 N ATOM 1380 CA LYS A 86 -3.908 -5.785 -10.987 1.00 0.00 C ATOM 1381 C LYS A 86 -4.454 -5.454 -12.372 1.00 0.00 C ATOM 1382 O LYS A 86 -5.651 -5.585 -12.627 1.00 0.00 O ATOM 1383 CB LYS A 86 -3.773 -7.301 -10.830 1.00 0.00 C ATOM 1384 CG LYS A 86 -3.241 -7.727 -9.472 1.00 0.00 C ATOM 1385 CD LYS A 86 -2.796 -9.180 -9.478 1.00 0.00 C ATOM 1386 CE LYS A 86 -2.305 -9.619 -8.107 1.00 0.00 C ATOM 1387 NZ LYS A 86 -2.000 -11.076 -8.067 1.00 0.00 N ATOM 0 H LYS A 86 -5.580 -5.826 -9.724 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.925 -5.326 -10.884 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.747 -7.763 -10.990 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.109 -7.681 -11.606 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.402 -7.090 -9.193 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.014 -7.585 -8.717 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.626 -9.814 -9.788 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.000 -9.315 -10.211 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.411 -9.054 -7.843 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.062 -9.386 -7.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.669 -11.335 -7.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.859 -11.617 -8.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.259 -11.295 -8.763 1.00 0.00 H new ATOM 1401 N LYS A 87 -3.568 -5.025 -13.265 1.00 0.00 N ATOM 1402 CA LYS A 87 -3.959 -4.677 -14.626 1.00 0.00 C ATOM 1403 C LYS A 87 -3.866 -5.891 -15.545 1.00 0.00 C ATOM 1404 O LYS A 87 -3.314 -6.925 -15.170 1.00 0.00 O ATOM 1405 CB LYS A 87 -3.074 -3.549 -15.160 1.00 0.00 C ATOM 1406 CG LYS A 87 -1.687 -3.519 -14.542 1.00 0.00 C ATOM 1407 CD LYS A 87 -0.720 -2.701 -15.381 1.00 0.00 C ATOM 1408 CE LYS A 87 -0.227 -3.485 -16.587 1.00 0.00 C ATOM 1409 NZ LYS A 87 1.018 -4.243 -16.284 1.00 0.00 N ATOM 0 H LYS A 87 -2.573 -4.910 -13.070 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.995 -4.338 -14.605 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.979 -3.654 -16.241 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.566 -2.594 -14.975 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.744 -3.099 -13.538 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.311 -4.537 -14.441 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.211 -1.787 -15.716 1.00 0.00 H new ATOM 0 HD3 LYS A 87 0.130 -2.401 -14.769 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.004 -4.177 -16.912 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -0.043 -2.800 -17.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.771 -3.949 -16.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.313 -4.049 -15.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.840 -5.262 -16.396 1.00 0.00 H new