USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 609 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 Single : A 12 CYS SG : rot -110:sc= -0.484 USER MOD Single : A 13 TYR OH : rot 90:sc= 0.0634 USER MOD Single : A 16 LYS NZ :NH3+ -115:sc= 0.0524 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 80:sc= -0.872 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 154:sc= -0.993 (180deg=-2.32!) USER MOD Single : A 27 THR OG1 : rot 19:sc= 0.23 USER MOD Single : A 35 TYR OH : rot 150:sc= 0 USER MOD Single : A 36 MET CE :methyl 144:sc= -0.32 (180deg=-4.36!) USER MOD Single : A 37 THR OG1 : rot -150:sc= -0.0765 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.0268 X(o=-0.027,f=0) USER MOD Single : A 60 ASN : amide:sc= -7.39! C(o=-7.4!,f=-20!) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0.12 USER MOD Single : A 69 HIS : no HE2:sc= -1.09 X(o=-1.1,f=-1.4) USER MOD Single : A 75 LYS NZ :NH3+ -172:sc= -0.0346 (180deg=-0.197) USER MOD Single : A 77 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.0747) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -121:sc= 0.535 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -164:sc= -0.165 (180deg=-0.735) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N PRO A 9 -0.302 -8.413 -12.601 1.00 0.00 N ATOM 84 CA PRO A 9 -0.524 -7.331 -11.637 1.00 0.00 C ATOM 85 C PRO A 9 -0.041 -5.982 -12.158 1.00 0.00 C ATOM 86 O PRO A 9 0.506 -5.890 -13.257 1.00 0.00 O ATOM 87 CB PRO A 9 0.302 -7.763 -10.423 1.00 0.00 C ATOM 88 CG PRO A 9 1.366 -8.643 -10.982 1.00 0.00 C ATOM 89 CD PRO A 9 0.746 -9.348 -12.157 1.00 0.00 C ATOM 0 HA PRO A 9 -1.583 -7.189 -11.420 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.730 -6.902 -9.909 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.311 -8.296 -9.696 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.233 -8.059 -11.291 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.712 -9.358 -10.236 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.476 -9.536 -12.944 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.329 -10.314 -11.872 1.00 0.00 H new ATOM 97 N ARG A 10 -0.247 -4.938 -11.362 1.00 0.00 N ATOM 98 CA ARG A 10 0.167 -3.593 -11.744 1.00 0.00 C ATOM 99 C ARG A 10 1.302 -3.099 -10.851 1.00 0.00 C ATOM 100 O ARG A 10 1.214 -3.166 -9.624 1.00 0.00 O ATOM 101 CB ARG A 10 -1.018 -2.629 -11.662 1.00 0.00 C ATOM 102 CG ARG A 10 -0.936 -1.478 -12.652 1.00 0.00 C ATOM 103 CD ARG A 10 -2.307 -0.875 -12.919 1.00 0.00 C ATOM 104 NE ARG A 10 -3.091 -1.688 -13.845 1.00 0.00 N ATOM 105 CZ ARG A 10 -4.404 -1.561 -14.003 1.00 0.00 C ATOM 106 NH1 ARG A 10 -5.075 -0.658 -13.302 1.00 0.00 N ATOM 107 NH2 ARG A 10 -5.048 -2.337 -14.865 1.00 0.00 N ATOM 0 H ARG A 10 -0.698 -4.997 -10.449 1.00 0.00 H new ATOM 0 HA ARG A 10 0.527 -3.629 -12.772 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.940 -3.184 -11.838 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.077 -2.225 -10.652 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.268 -0.709 -12.263 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.504 -1.832 -13.588 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.848 -0.774 -11.978 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.188 0.128 -13.328 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.604 -2.391 -14.400 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.583 -0.058 -12.639 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.083 -0.563 -13.425 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.535 -3.032 -15.407 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.056 -2.239 -14.985 1.00 0.00 H new ATOM 121 N LEU A 11 2.366 -2.605 -11.474 1.00 0.00 N ATOM 122 CA LEU A 11 3.518 -2.100 -10.736 1.00 0.00 C ATOM 123 C LEU A 11 3.276 -0.672 -10.257 1.00 0.00 C ATOM 124 O LEU A 11 3.319 0.273 -11.046 1.00 0.00 O ATOM 125 CB LEU A 11 4.771 -2.150 -11.612 1.00 0.00 C ATOM 126 CG LEU A 11 6.108 -2.036 -10.878 1.00 0.00 C ATOM 127 CD1 LEU A 11 6.190 -0.720 -10.120 1.00 0.00 C ATOM 128 CD2 LEU A 11 6.299 -3.212 -9.932 1.00 0.00 C ATOM 0 H LEU A 11 2.455 -2.543 -12.488 1.00 0.00 H new ATOM 0 HA LEU A 11 3.666 -2.736 -9.863 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.764 -3.087 -12.169 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.711 -1.344 -12.344 1.00 0.00 H new ATOM 0 HG LEU A 11 6.909 -2.056 -11.617 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.148 -0.656 -9.604 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.100 0.110 -10.821 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.381 -0.669 -9.391 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.255 -3.114 -9.418 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.493 -3.224 -9.199 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.286 -4.142 -10.500 1.00 0.00 H new ATOM 140 N CYS A 12 3.022 -0.523 -8.962 1.00 0.00 N ATOM 141 CA CYS A 12 2.774 0.790 -8.377 1.00 0.00 C ATOM 142 C CYS A 12 4.077 1.433 -7.913 1.00 0.00 C ATOM 143 O CYS A 12 4.593 1.112 -6.843 1.00 0.00 O ATOM 144 CB CYS A 12 1.802 0.673 -7.202 1.00 0.00 C ATOM 145 SG CYS A 12 0.200 -0.043 -7.638 1.00 0.00 S ATOM 0 H CYS A 12 2.982 -1.295 -8.297 1.00 0.00 H new ATOM 0 HA CYS A 12 2.330 1.424 -9.144 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.261 0.063 -6.424 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.642 1.664 -6.777 1.00 0.00 H new ATOM 0 HG CYS A 12 -0.718 0.876 -7.574 1.00 0.00 H new ATOM 151 N TYR A 13 4.604 2.342 -8.726 1.00 0.00 N ATOM 152 CA TYR A 13 5.849 3.028 -8.401 1.00 0.00 C ATOM 153 C TYR A 13 5.594 4.208 -7.469 1.00 0.00 C ATOM 154 O TYR A 13 5.203 5.290 -7.910 1.00 0.00 O ATOM 155 CB TYR A 13 6.538 3.512 -9.678 1.00 0.00 C ATOM 156 CG TYR A 13 8.047 3.512 -9.590 1.00 0.00 C ATOM 157 CD1 TYR A 13 8.758 2.321 -9.504 1.00 0.00 C ATOM 158 CD2 TYR A 13 8.763 4.703 -9.590 1.00 0.00 C ATOM 159 CE1 TYR A 13 10.137 2.316 -9.422 1.00 0.00 C ATOM 160 CE2 TYR A 13 10.142 4.708 -9.510 1.00 0.00 C ATOM 161 CZ TYR A 13 10.824 3.512 -9.426 1.00 0.00 C ATOM 162 OH TYR A 13 12.198 3.513 -9.345 1.00 0.00 O ATOM 0 H TYR A 13 4.188 2.621 -9.615 1.00 0.00 H new ATOM 0 HA TYR A 13 6.501 2.320 -7.890 1.00 0.00 H new ATOM 0 HB2 TYR A 13 6.231 2.877 -10.509 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.196 4.522 -9.905 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.223 1.383 -9.501 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.232 5.641 -9.654 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.674 1.381 -9.355 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.683 5.643 -9.513 1.00 0.00 H new ATOM 0 HH TYR A 13 12.579 3.478 -10.247 1.00 0.00 H new ATOM 172 N LEU A 14 5.817 3.992 -6.178 1.00 0.00 N ATOM 173 CA LEU A 14 5.613 5.038 -5.181 1.00 0.00 C ATOM 174 C LEU A 14 6.843 5.932 -5.069 1.00 0.00 C ATOM 175 O LEU A 14 7.975 5.448 -5.045 1.00 0.00 O ATOM 176 CB LEU A 14 5.294 4.417 -3.820 1.00 0.00 C ATOM 177 CG LEU A 14 3.825 4.073 -3.567 1.00 0.00 C ATOM 178 CD1 LEU A 14 3.072 5.292 -3.057 1.00 0.00 C ATOM 179 CD2 LEU A 14 3.177 3.535 -4.834 1.00 0.00 C ATOM 0 H LEU A 14 6.139 3.103 -5.796 1.00 0.00 H new ATOM 0 HA LEU A 14 4.770 5.651 -5.501 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.884 3.507 -3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.624 5.106 -3.042 1.00 0.00 H new ATOM 0 HG LEU A 14 3.780 3.297 -2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.029 5.029 -2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.521 5.633 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.126 6.089 -3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.132 3.296 -4.635 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.233 4.288 -5.620 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.700 2.635 -5.156 1.00 0.00 H new ATOM 191 N VAL A 15 6.614 7.239 -4.998 1.00 0.00 N ATOM 192 CA VAL A 15 7.704 8.201 -4.885 1.00 0.00 C ATOM 193 C VAL A 15 7.340 9.335 -3.933 1.00 0.00 C ATOM 194 O VAL A 15 6.557 10.221 -4.276 1.00 0.00 O ATOM 195 CB VAL A 15 8.073 8.796 -6.257 1.00 0.00 C ATOM 196 CG1 VAL A 15 9.262 9.736 -6.129 1.00 0.00 C ATOM 197 CG2 VAL A 15 8.363 7.688 -7.257 1.00 0.00 C ATOM 0 H VAL A 15 5.683 7.656 -5.017 1.00 0.00 H new ATOM 0 HA VAL A 15 8.563 7.660 -4.489 1.00 0.00 H new ATOM 0 HB VAL A 15 7.224 9.372 -6.625 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.508 10.147 -7.108 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.012 10.549 -5.447 1.00 0.00 H new ATOM 0 HG13 VAL A 15 10.119 9.187 -5.740 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.622 8.126 -8.221 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.196 7.083 -6.898 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.480 7.059 -7.370 1.00 0.00 H new ATOM 207 N LYS A 16 7.913 9.301 -2.734 1.00 0.00 N ATOM 208 CA LYS A 16 7.651 10.326 -1.731 1.00 0.00 C ATOM 209 C LYS A 16 7.645 11.715 -2.361 1.00 0.00 C ATOM 210 O LYS A 16 8.437 12.002 -3.258 1.00 0.00 O ATOM 211 CB LYS A 16 8.702 10.263 -0.621 1.00 0.00 C ATOM 212 CG LYS A 16 9.889 11.181 -0.854 1.00 0.00 C ATOM 213 CD LYS A 16 10.805 11.227 0.358 1.00 0.00 C ATOM 214 CE LYS A 16 10.865 9.881 1.062 1.00 0.00 C ATOM 215 NZ LYS A 16 12.061 9.768 1.942 1.00 0.00 N ATOM 0 H LYS A 16 8.562 8.574 -2.434 1.00 0.00 H new ATOM 0 HA LYS A 16 6.667 10.136 -1.303 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.232 10.524 0.327 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.059 9.237 -0.528 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.451 10.838 -1.723 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.534 12.186 -1.081 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.807 11.521 0.047 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.451 11.988 1.054 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.962 9.742 1.657 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.884 9.083 0.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.691 9.025 1.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.568 10.676 1.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.760 9.524 2.907 1.00 0.00 H new ATOM 229 N GLU A 17 6.748 12.573 -1.885 1.00 0.00 N ATOM 230 CA GLU A 17 6.641 13.932 -2.403 1.00 0.00 C ATOM 231 C GLU A 17 6.800 14.955 -1.282 1.00 0.00 C ATOM 232 O GLU A 17 7.830 15.619 -1.175 1.00 0.00 O ATOM 233 CB GLU A 17 5.294 14.131 -3.101 1.00 0.00 C ATOM 234 CG GLU A 17 5.298 13.708 -4.561 1.00 0.00 C ATOM 235 CD GLU A 17 4.326 14.512 -5.403 1.00 0.00 C ATOM 236 OE1 GLU A 17 4.491 15.747 -5.481 1.00 0.00 O ATOM 237 OE2 GLU A 17 3.402 13.906 -5.984 1.00 0.00 O ATOM 0 H GLU A 17 6.085 12.351 -1.142 1.00 0.00 H new ATOM 0 HA GLU A 17 7.443 14.082 -3.126 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.531 13.563 -2.569 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.012 15.182 -3.036 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.304 13.821 -4.966 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.044 12.650 -4.630 1.00 0.00 H new ATOM 244 N GLY A 18 5.772 15.076 -0.448 1.00 0.00 N ATOM 245 CA GLY A 18 5.817 16.021 0.653 1.00 0.00 C ATOM 246 C GLY A 18 5.773 15.337 2.005 1.00 0.00 C ATOM 247 O GLY A 18 4.800 14.660 2.336 1.00 0.00 O ATOM 0 H GLY A 18 4.909 14.537 -0.515 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.727 16.617 0.580 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.977 16.711 0.571 1.00 0.00 H new ATOM 251 N GLY A 19 6.832 15.512 2.790 1.00 0.00 N ATOM 252 CA GLY A 19 6.892 14.899 4.104 1.00 0.00 C ATOM 253 C GLY A 19 7.073 13.395 4.034 1.00 0.00 C ATOM 254 O GLY A 19 8.126 12.873 4.401 1.00 0.00 O ATOM 0 H GLY A 19 7.650 16.068 2.539 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.716 15.335 4.668 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.977 15.127 4.650 1.00 0.00 H new ATOM 258 N SER A 20 6.044 12.697 3.565 1.00 0.00 N ATOM 259 CA SER A 20 6.093 11.244 3.454 1.00 0.00 C ATOM 260 C SER A 20 5.229 10.759 2.293 1.00 0.00 C ATOM 261 O SER A 20 4.657 11.560 1.553 1.00 0.00 O ATOM 262 CB SER A 20 5.625 10.596 4.758 1.00 0.00 C ATOM 263 OG SER A 20 4.346 11.075 5.136 1.00 0.00 O ATOM 0 H SER A 20 5.166 13.114 3.256 1.00 0.00 H new ATOM 0 HA SER A 20 7.126 10.953 3.262 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.590 9.513 4.637 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.344 10.806 5.550 1.00 0.00 H new ATOM 0 HG SER A 20 4.069 10.644 5.971 1.00 0.00 H new ATOM 269 N TYR A 21 5.141 9.442 2.141 1.00 0.00 N ATOM 270 CA TYR A 21 4.349 8.849 1.070 1.00 0.00 C ATOM 271 C TYR A 21 2.862 9.117 1.278 1.00 0.00 C ATOM 272 O TYR A 21 2.472 9.840 2.194 1.00 0.00 O ATOM 273 CB TYR A 21 4.602 7.342 0.995 1.00 0.00 C ATOM 274 CG TYR A 21 5.941 6.982 0.392 1.00 0.00 C ATOM 275 CD1 TYR A 21 7.115 7.557 0.862 1.00 0.00 C ATOM 276 CD2 TYR A 21 6.032 6.064 -0.647 1.00 0.00 C ATOM 277 CE1 TYR A 21 8.340 7.232 0.313 1.00 0.00 C ATOM 278 CE2 TYR A 21 7.253 5.731 -1.201 1.00 0.00 C ATOM 279 CZ TYR A 21 8.404 6.318 -0.718 1.00 0.00 C ATOM 280 OH TYR A 21 9.623 5.989 -1.266 1.00 0.00 O ATOM 0 H TYR A 21 5.608 8.766 2.745 1.00 0.00 H new ATOM 0 HA TYR A 21 4.654 9.309 0.130 1.00 0.00 H new ATOM 0 HB2 TYR A 21 4.540 6.921 1.999 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.811 6.878 0.406 1.00 0.00 H new ATOM 0 HD1 TYR A 21 7.069 8.271 1.671 1.00 0.00 H new ATOM 0 HD2 TYR A 21 5.133 5.603 -1.028 1.00 0.00 H new ATOM 0 HE1 TYR A 21 9.243 7.691 0.689 1.00 0.00 H new ATOM 0 HE2 TYR A 21 7.306 5.015 -2.008 1.00 0.00 H new ATOM 0 HH TYR A 21 10.075 5.337 -0.691 1.00 0.00 H new ATOM 290 N GLY A 22 2.035 8.526 0.420 1.00 0.00 N ATOM 291 CA GLY A 22 0.600 8.712 0.527 1.00 0.00 C ATOM 292 C GLY A 22 -0.134 7.415 0.807 1.00 0.00 C ATOM 293 O GLY A 22 -1.167 7.134 0.200 1.00 0.00 O ATOM 0 H GLY A 22 2.333 7.922 -0.346 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.388 9.425 1.323 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.223 9.147 -0.399 1.00 0.00 H new ATOM 297 N PHE A 23 0.402 6.622 1.729 1.00 0.00 N ATOM 298 CA PHE A 23 -0.207 5.346 2.087 1.00 0.00 C ATOM 299 C PHE A 23 0.232 4.906 3.481 1.00 0.00 C ATOM 300 O PHE A 23 1.245 5.374 4.001 1.00 0.00 O ATOM 301 CB PHE A 23 0.165 4.274 1.061 1.00 0.00 C ATOM 302 CG PHE A 23 1.571 3.766 1.206 1.00 0.00 C ATOM 303 CD1 PHE A 23 1.938 3.009 2.307 1.00 0.00 C ATOM 304 CD2 PHE A 23 2.526 4.047 0.243 1.00 0.00 C ATOM 305 CE1 PHE A 23 3.231 2.540 2.444 1.00 0.00 C ATOM 306 CE2 PHE A 23 3.821 3.581 0.374 1.00 0.00 C ATOM 307 CZ PHE A 23 4.174 2.828 1.477 1.00 0.00 C ATOM 0 H PHE A 23 1.256 6.840 2.242 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.289 5.476 2.090 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.527 3.437 1.155 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.036 4.682 0.058 1.00 0.00 H new ATOM 0 HD1 PHE A 23 1.205 2.783 3.067 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.256 4.637 -0.620 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.503 1.949 3.306 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.556 3.805 -0.385 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.186 2.465 1.583 1.00 0.00 H new ATOM 317 N SER A 24 -0.539 4.004 4.080 1.00 0.00 N ATOM 318 CA SER A 24 -0.233 3.503 5.415 1.00 0.00 C ATOM 319 C SER A 24 -0.286 1.979 5.449 1.00 0.00 C ATOM 320 O SER A 24 -1.074 1.357 4.735 1.00 0.00 O ATOM 321 CB SER A 24 -1.215 4.082 6.436 1.00 0.00 C ATOM 322 OG SER A 24 -1.084 5.490 6.529 1.00 0.00 O ATOM 0 H SER A 24 -1.380 3.605 3.662 1.00 0.00 H new ATOM 0 HA SER A 24 0.778 3.819 5.673 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.235 3.827 6.149 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.036 3.632 7.413 1.00 0.00 H new ATOM 0 HG SER A 24 -1.723 5.835 7.186 1.00 0.00 H new ATOM 328 N LEU A 25 0.558 1.383 6.283 1.00 0.00 N ATOM 329 CA LEU A 25 0.610 -0.069 6.412 1.00 0.00 C ATOM 330 C LEU A 25 0.117 -0.512 7.786 1.00 0.00 C ATOM 331 O LEU A 25 0.096 0.274 8.733 1.00 0.00 O ATOM 332 CB LEU A 25 2.036 -0.571 6.182 1.00 0.00 C ATOM 333 CG LEU A 25 2.626 -0.307 4.797 1.00 0.00 C ATOM 334 CD1 LEU A 25 4.142 -0.423 4.831 1.00 0.00 C ATOM 335 CD2 LEU A 25 2.039 -1.270 3.775 1.00 0.00 C ATOM 0 H LEU A 25 1.216 1.883 6.881 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.046 -0.500 5.655 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.686 -0.110 6.926 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.055 -1.646 6.364 1.00 0.00 H new ATOM 0 HG LEU A 25 2.366 0.709 4.501 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.544 -0.232 3.836 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.547 0.306 5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.423 -1.427 5.149 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.470 -1.068 2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.268 -2.295 4.067 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.958 -1.138 3.730 1.00 0.00 H new ATOM 347 N LYS A 26 -0.276 -1.777 7.888 1.00 0.00 N ATOM 348 CA LYS A 26 -0.765 -2.327 9.147 1.00 0.00 C ATOM 349 C LYS A 26 -0.673 -3.850 9.147 1.00 0.00 C ATOM 350 O LYS A 26 -0.688 -4.484 8.091 1.00 0.00 O ATOM 351 CB LYS A 26 -2.212 -1.893 9.389 1.00 0.00 C ATOM 352 CG LYS A 26 -3.173 -2.344 8.302 1.00 0.00 C ATOM 353 CD LYS A 26 -4.549 -1.726 8.482 1.00 0.00 C ATOM 354 CE LYS A 26 -5.424 -2.570 9.396 1.00 0.00 C ATOM 355 NZ LYS A 26 -4.893 -2.613 10.787 1.00 0.00 N ATOM 0 H LYS A 26 -0.265 -2.441 7.114 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.138 -1.942 9.951 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.547 -2.292 10.346 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.248 -0.806 9.466 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.774 -2.068 7.326 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.257 -3.431 8.317 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.447 -0.724 8.898 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.032 -1.620 7.510 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.436 -2.165 9.406 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.490 -3.584 9.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.673 -2.792 11.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.189 -3.375 10.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.445 -1.703 11.016 1.00 0.00 H new ATOM 369 N THR A 27 -0.581 -4.433 10.338 1.00 0.00 N ATOM 370 CA THR A 27 -0.487 -5.880 10.476 1.00 0.00 C ATOM 371 C THR A 27 -1.748 -6.455 11.112 1.00 0.00 C ATOM 372 O THR A 27 -2.203 -5.978 12.152 1.00 0.00 O ATOM 373 CB THR A 27 0.733 -6.287 11.324 1.00 0.00 C ATOM 374 OG1 THR A 27 0.588 -5.792 12.660 1.00 0.00 O ATOM 375 CG2 THR A 27 2.019 -5.747 10.715 1.00 0.00 C ATOM 0 H THR A 27 -0.570 -3.924 11.222 1.00 0.00 H new ATOM 0 HA THR A 27 -0.372 -6.286 9.471 1.00 0.00 H new ATOM 0 HB THR A 27 0.787 -7.375 11.344 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.352 -5.573 12.828 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.867 -6.047 11.331 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.141 -6.148 9.709 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.971 -4.659 10.669 1.00 0.00 H new ATOM 383 N VAL A 28 -2.307 -7.483 10.482 1.00 0.00 N ATOM 384 CA VAL A 28 -3.515 -8.124 10.988 1.00 0.00 C ATOM 385 C VAL A 28 -3.190 -9.448 11.669 1.00 0.00 C ATOM 386 O VAL A 28 -2.368 -10.223 11.181 1.00 0.00 O ATOM 387 CB VAL A 28 -4.532 -8.376 9.859 1.00 0.00 C ATOM 388 CG1 VAL A 28 -5.741 -9.132 10.388 1.00 0.00 C ATOM 389 CG2 VAL A 28 -4.954 -7.062 9.219 1.00 0.00 C ATOM 0 H VAL A 28 -1.943 -7.890 9.620 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.954 -7.442 11.716 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.055 -8.990 9.095 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.448 -9.301 9.576 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.421 -10.091 10.796 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.222 -8.547 11.172 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.673 -7.259 8.423 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.413 -6.421 9.972 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.079 -6.563 8.802 1.00 0.00 H new ATOM 467 N GLY A 33 2.700 -10.924 6.581 1.00 0.00 N ATOM 468 CA GLY A 33 3.106 -9.775 5.793 1.00 0.00 C ATOM 469 C GLY A 33 2.234 -8.561 6.045 1.00 0.00 C ATOM 470 O GLY A 33 1.498 -8.511 7.031 1.00 0.00 O ATOM 0 HA2 GLY A 33 4.142 -9.528 6.024 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.068 -10.032 4.735 1.00 0.00 H new ATOM 474 N VAL A 34 2.316 -7.579 5.153 1.00 0.00 N ATOM 475 CA VAL A 34 1.529 -6.359 5.284 1.00 0.00 C ATOM 476 C VAL A 34 0.872 -5.985 3.960 1.00 0.00 C ATOM 477 O VAL A 34 1.193 -6.549 2.914 1.00 0.00 O ATOM 478 CB VAL A 34 2.396 -5.181 5.765 1.00 0.00 C ATOM 479 CG1 VAL A 34 2.771 -5.356 7.229 1.00 0.00 C ATOM 480 CG2 VAL A 34 3.640 -5.047 4.901 1.00 0.00 C ATOM 0 H VAL A 34 2.920 -7.605 4.331 1.00 0.00 H new ATOM 0 HA VAL A 34 0.756 -6.558 6.027 1.00 0.00 H new ATOM 0 HB VAL A 34 1.815 -4.264 5.670 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.384 -4.514 7.551 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.865 -5.398 7.834 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.333 -6.282 7.352 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.241 -4.209 5.256 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.225 -5.965 4.961 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.347 -4.871 3.866 1.00 0.00 H new ATOM 490 N TYR A 35 -0.049 -5.029 4.013 1.00 0.00 N ATOM 491 CA TYR A 35 -0.754 -4.580 2.819 1.00 0.00 C ATOM 492 C TYR A 35 -1.292 -3.164 3.003 1.00 0.00 C ATOM 493 O TYR A 35 -1.600 -2.746 4.119 1.00 0.00 O ATOM 494 CB TYR A 35 -1.903 -5.535 2.489 1.00 0.00 C ATOM 495 CG TYR A 35 -2.995 -5.552 3.535 1.00 0.00 C ATOM 496 CD1 TYR A 35 -3.780 -4.430 3.767 1.00 0.00 C ATOM 497 CD2 TYR A 35 -3.241 -6.691 4.292 1.00 0.00 C ATOM 498 CE1 TYR A 35 -4.778 -4.441 4.722 1.00 0.00 C ATOM 499 CE2 TYR A 35 -4.238 -6.712 5.248 1.00 0.00 C ATOM 500 CZ TYR A 35 -5.003 -5.584 5.460 1.00 0.00 C ATOM 501 OH TYR A 35 -5.997 -5.600 6.411 1.00 0.00 O ATOM 0 H TYR A 35 -0.325 -4.550 4.870 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.045 -4.575 1.991 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.335 -5.252 1.529 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.505 -6.543 2.375 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.607 -3.533 3.191 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.642 -7.575 4.130 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.379 -3.559 4.890 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.417 -7.606 5.826 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.355 -6.508 6.495 1.00 0.00 H new ATOM 511 N MET A 36 -1.401 -2.431 1.900 1.00 0.00 N ATOM 512 CA MET A 36 -1.903 -1.063 1.939 1.00 0.00 C ATOM 513 C MET A 36 -3.345 -1.026 2.436 1.00 0.00 C ATOM 514 O MET A 36 -4.190 -1.796 1.979 1.00 0.00 O ATOM 515 CB MET A 36 -1.813 -0.424 0.551 1.00 0.00 C ATOM 516 CG MET A 36 -0.433 -0.527 -0.077 1.00 0.00 C ATOM 517 SD MET A 36 0.660 0.816 0.424 1.00 0.00 S ATOM 518 CE MET A 36 2.188 0.323 -0.371 1.00 0.00 C ATOM 0 H MET A 36 -1.148 -2.761 0.969 1.00 0.00 H new ATOM 0 HA MET A 36 -1.284 -0.495 2.634 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.539 -0.901 -0.107 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.092 0.627 0.625 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.018 -1.480 0.200 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.531 -0.525 -1.163 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.719 1.209 -0.720 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.811 -0.217 0.342 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.964 -0.323 -1.220 1.00 0.00 H new ATOM 528 N THR A 37 -3.620 -0.127 3.376 1.00 0.00 N ATOM 529 CA THR A 37 -4.958 0.009 3.936 1.00 0.00 C ATOM 530 C THR A 37 -5.513 1.409 3.702 1.00 0.00 C ATOM 531 O THR A 37 -6.630 1.570 3.210 1.00 0.00 O ATOM 532 CB THR A 37 -4.968 -0.289 5.447 1.00 0.00 C ATOM 533 OG1 THR A 37 -6.308 -0.236 5.949 1.00 0.00 O ATOM 534 CG2 THR A 37 -4.099 0.708 6.200 1.00 0.00 C ATOM 0 H THR A 37 -2.933 0.518 3.765 1.00 0.00 H new ATOM 0 HA THR A 37 -5.589 -0.719 3.426 1.00 0.00 H new ATOM 0 HB THR A 37 -4.563 -1.289 5.600 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.295 0.049 6.886 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.121 0.478 7.265 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.073 0.644 5.836 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.479 1.717 6.039 1.00 0.00 H new ATOM 542 N ASP A 38 -4.726 2.419 4.056 1.00 0.00 N ATOM 543 CA ASP A 38 -5.139 3.807 3.883 1.00 0.00 C ATOM 544 C ASP A 38 -4.413 4.446 2.703 1.00 0.00 C ATOM 545 O ASP A 38 -3.209 4.697 2.765 1.00 0.00 O ATOM 546 CB ASP A 38 -4.867 4.605 5.159 1.00 0.00 C ATOM 547 CG ASP A 38 -5.503 5.981 5.128 1.00 0.00 C ATOM 548 OD1 ASP A 38 -5.058 6.823 4.321 1.00 0.00 O ATOM 549 OD2 ASP A 38 -6.448 6.214 5.910 1.00 0.00 O ATOM 0 H ASP A 38 -3.799 2.303 4.464 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.209 3.820 3.678 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.247 4.052 6.018 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.791 4.708 5.297 1.00 0.00 H new ATOM 554 N ILE A 39 -5.152 4.706 1.631 1.00 0.00 N ATOM 555 CA ILE A 39 -4.579 5.316 0.437 1.00 0.00 C ATOM 556 C ILE A 39 -4.938 6.795 0.349 1.00 0.00 C ATOM 557 O ILE A 39 -5.898 7.174 -0.323 1.00 0.00 O ATOM 558 CB ILE A 39 -5.057 4.606 -0.843 1.00 0.00 C ATOM 559 CG1 ILE A 39 -4.645 3.133 -0.820 1.00 0.00 C ATOM 560 CG2 ILE A 39 -4.495 5.299 -2.075 1.00 0.00 C ATOM 561 CD1 ILE A 39 -3.153 2.924 -0.684 1.00 0.00 C ATOM 0 H ILE A 39 -6.150 4.504 1.564 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.497 5.211 0.518 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.145 4.659 -0.885 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.150 2.636 0.008 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.989 2.654 -1.737 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.842 4.785 -2.972 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.834 6.335 -2.096 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.406 5.274 -2.041 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.935 1.856 -0.675 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.642 3.392 -1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.806 3.373 0.246 1.00 0.00 H new ATOM 573 N THR A 40 -4.159 7.629 1.031 1.00 0.00 N ATOM 574 CA THR A 40 -4.393 9.068 1.030 1.00 0.00 C ATOM 575 C THR A 40 -4.932 9.536 -0.317 1.00 0.00 C ATOM 576 O THR A 40 -4.466 9.119 -1.378 1.00 0.00 O ATOM 577 CB THR A 40 -3.105 9.847 1.354 1.00 0.00 C ATOM 578 OG1 THR A 40 -2.526 9.354 2.568 1.00 0.00 O ATOM 579 CG2 THR A 40 -3.392 11.335 1.491 1.00 0.00 C ATOM 0 H THR A 40 -3.360 7.332 1.591 1.00 0.00 H new ATOM 0 HA THR A 40 -5.134 9.268 1.804 1.00 0.00 H new ATOM 0 HB THR A 40 -2.403 9.703 0.532 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.706 9.854 2.766 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.467 11.864 1.720 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.805 11.714 0.556 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.110 11.495 2.295 1.00 0.00 H new ATOM 587 N PRO A 41 -5.936 10.424 -0.277 1.00 0.00 N ATOM 588 CA PRO A 41 -6.559 10.969 -1.487 1.00 0.00 C ATOM 589 C PRO A 41 -5.628 11.909 -2.246 1.00 0.00 C ATOM 590 O PRO A 41 -4.931 12.725 -1.643 1.00 0.00 O ATOM 591 CB PRO A 41 -7.769 11.736 -0.948 1.00 0.00 C ATOM 592 CG PRO A 41 -7.400 12.092 0.450 1.00 0.00 C ATOM 593 CD PRO A 41 -6.541 10.964 0.952 1.00 0.00 C ATOM 0 HA PRO A 41 -6.816 10.186 -2.201 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.970 12.627 -1.543 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -8.670 11.124 -0.976 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.860 13.038 0.482 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -8.289 12.211 1.070 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.783 11.316 1.652 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.131 10.211 1.474 1.00 0.00 H new ATOM 601 N GLN A 42 -5.621 11.787 -3.569 1.00 0.00 N ATOM 602 CA GLN A 42 -4.775 12.626 -4.409 1.00 0.00 C ATOM 603 C GLN A 42 -3.357 12.699 -3.852 1.00 0.00 C ATOM 604 O GLN A 42 -2.757 13.772 -3.792 1.00 0.00 O ATOM 605 CB GLN A 42 -5.365 14.033 -4.519 1.00 0.00 C ATOM 606 CG GLN A 42 -4.823 14.829 -5.695 1.00 0.00 C ATOM 607 CD GLN A 42 -5.271 16.278 -5.676 1.00 0.00 C ATOM 608 OE1 GLN A 42 -6.311 16.625 -6.236 1.00 0.00 O ATOM 609 NE2 GLN A 42 -4.487 17.132 -5.030 1.00 0.00 N ATOM 0 H GLN A 42 -6.192 11.115 -4.082 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.734 12.178 -5.402 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.449 13.958 -4.610 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.160 14.577 -3.597 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.734 14.789 -5.684 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.150 14.364 -6.625 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.634 16.801 -4.580 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.738 18.120 -4.984 1.00 0.00 H new ATOM 618 N GLY A 43 -2.827 11.550 -3.444 1.00 0.00 N ATOM 619 CA GLY A 43 -1.483 11.506 -2.897 1.00 0.00 C ATOM 620 C GLY A 43 -0.549 10.643 -3.721 1.00 0.00 C ATOM 621 O GLY A 43 -0.926 10.145 -4.782 1.00 0.00 O ATOM 0 H GLY A 43 -3.304 10.649 -3.482 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.083 12.519 -2.842 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.522 11.123 -1.877 1.00 0.00 H new ATOM 625 N VAL A 44 0.675 10.465 -3.234 1.00 0.00 N ATOM 626 CA VAL A 44 1.666 9.657 -3.933 1.00 0.00 C ATOM 627 C VAL A 44 1.086 8.307 -4.341 1.00 0.00 C ATOM 628 O VAL A 44 1.296 7.843 -5.461 1.00 0.00 O ATOM 629 CB VAL A 44 2.916 9.425 -3.064 1.00 0.00 C ATOM 630 CG1 VAL A 44 3.882 8.477 -3.759 1.00 0.00 C ATOM 631 CG2 VAL A 44 3.593 10.748 -2.741 1.00 0.00 C ATOM 0 H VAL A 44 1.004 10.870 -2.357 1.00 0.00 H new ATOM 0 HA VAL A 44 1.952 10.211 -4.827 1.00 0.00 H new ATOM 0 HB VAL A 44 2.605 8.964 -2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.759 8.325 -3.130 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.390 7.520 -3.933 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.190 8.906 -4.713 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.474 10.565 -2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.892 11.239 -3.667 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.899 11.389 -2.198 1.00 0.00 H new ATOM 641 N ALA A 45 0.355 7.682 -3.424 1.00 0.00 N ATOM 642 CA ALA A 45 -0.257 6.386 -3.688 1.00 0.00 C ATOM 643 C ALA A 45 -1.417 6.518 -4.670 1.00 0.00 C ATOM 644 O ALA A 45 -1.356 6.008 -5.788 1.00 0.00 O ATOM 645 CB ALA A 45 -0.732 5.752 -2.389 1.00 0.00 C ATOM 0 H ALA A 45 0.172 8.053 -2.491 1.00 0.00 H new ATOM 0 HA ALA A 45 0.496 5.741 -4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.187 4.785 -2.601 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.117 5.615 -1.719 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.467 6.402 -1.914 1.00 0.00 H new ATOM 651 N MET A 46 -2.472 7.204 -4.243 1.00 0.00 N ATOM 652 CA MET A 46 -3.646 7.402 -5.086 1.00 0.00 C ATOM 653 C MET A 46 -3.239 7.814 -6.497 1.00 0.00 C ATOM 654 O MET A 46 -3.964 7.564 -7.460 1.00 0.00 O ATOM 655 CB MET A 46 -4.564 8.463 -4.477 1.00 0.00 C ATOM 656 CG MET A 46 -5.978 8.436 -5.035 1.00 0.00 C ATOM 657 SD MET A 46 -6.768 6.827 -4.847 1.00 0.00 S ATOM 658 CE MET A 46 -7.946 7.178 -3.544 1.00 0.00 C ATOM 0 H MET A 46 -2.538 7.632 -3.319 1.00 0.00 H new ATOM 0 HA MET A 46 -4.184 6.456 -5.144 1.00 0.00 H new ATOM 0 HB2 MET A 46 -4.605 8.319 -3.397 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.132 9.449 -4.651 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.578 9.192 -4.530 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.953 8.703 -6.092 1.00 0.00 H new ATOM 0 HE1 MET A 46 -8.514 6.276 -3.314 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.414 7.509 -2.652 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.628 7.963 -3.872 1.00 0.00 H new ATOM 668 N ARG A 47 -2.075 8.447 -6.612 1.00 0.00 N ATOM 669 CA ARG A 47 -1.573 8.894 -7.905 1.00 0.00 C ATOM 670 C ARG A 47 -0.922 7.742 -8.664 1.00 0.00 C ATOM 671 O ARG A 47 -1.034 7.649 -9.886 1.00 0.00 O ATOM 672 CB ARG A 47 -0.566 10.031 -7.719 1.00 0.00 C ATOM 673 CG ARG A 47 -1.211 11.402 -7.600 1.00 0.00 C ATOM 674 CD ARG A 47 -1.361 12.067 -8.959 1.00 0.00 C ATOM 675 NE ARG A 47 -1.654 13.493 -8.842 1.00 0.00 N ATOM 676 CZ ARG A 47 -2.876 13.979 -8.654 1.00 0.00 C ATOM 677 NH1 ARG A 47 -3.913 13.158 -8.562 1.00 0.00 N ATOM 678 NH2 ARG A 47 -3.062 15.290 -8.557 1.00 0.00 N ATOM 0 H ARG A 47 -1.463 8.661 -5.825 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.418 9.258 -8.489 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.026 9.838 -6.824 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.124 10.035 -8.563 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.190 11.305 -7.131 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.607 12.034 -6.949 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.444 11.931 -9.532 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.160 11.577 -9.516 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.878 14.152 -8.908 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.774 12.150 -8.636 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.850 13.534 -8.418 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.266 15.925 -8.627 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.000 15.663 -8.413 1.00 0.00 H new ATOM 692 N ALA A 48 -0.241 6.868 -7.931 1.00 0.00 N ATOM 693 CA ALA A 48 0.427 5.721 -8.534 1.00 0.00 C ATOM 694 C ALA A 48 -0.585 4.733 -9.104 1.00 0.00 C ATOM 695 O ALA A 48 -0.299 4.022 -10.066 1.00 0.00 O ATOM 696 CB ALA A 48 1.322 5.034 -7.513 1.00 0.00 C ATOM 0 H ALA A 48 -0.137 6.932 -6.918 1.00 0.00 H new ATOM 0 HA ALA A 48 1.044 6.083 -9.356 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.814 4.179 -7.977 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.075 5.737 -7.157 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.719 4.692 -6.672 1.00 0.00 H new ATOM 702 N GLY A 49 -1.770 4.693 -8.501 1.00 0.00 N ATOM 703 CA GLY A 49 -2.806 3.788 -8.962 1.00 0.00 C ATOM 704 C GLY A 49 -2.951 2.571 -8.071 1.00 0.00 C ATOM 705 O GLY A 49 -3.388 1.511 -8.521 1.00 0.00 O ATOM 0 H GLY A 49 -2.030 5.271 -7.702 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.757 4.320 -9.003 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.577 3.466 -9.978 1.00 0.00 H new ATOM 709 N VAL A 50 -2.582 2.720 -6.803 1.00 0.00 N ATOM 710 CA VAL A 50 -2.672 1.624 -5.846 1.00 0.00 C ATOM 711 C VAL A 50 -3.962 1.706 -5.037 1.00 0.00 C ATOM 712 O VAL A 50 -4.251 2.725 -4.409 1.00 0.00 O ATOM 713 CB VAL A 50 -1.473 1.622 -4.880 1.00 0.00 C ATOM 714 CG1 VAL A 50 -1.339 2.971 -4.191 1.00 0.00 C ATOM 715 CG2 VAL A 50 -1.614 0.504 -3.858 1.00 0.00 C ATOM 0 H VAL A 50 -2.218 3.590 -6.414 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.666 0.699 -6.423 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.565 1.444 -5.457 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.486 2.950 -3.512 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.188 3.749 -4.940 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.247 3.183 -3.626 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.758 0.518 -3.183 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.530 0.648 -3.285 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.655 -0.456 -4.372 1.00 0.00 H new ATOM 725 N LEU A 51 -4.735 0.625 -5.055 1.00 0.00 N ATOM 726 CA LEU A 51 -5.995 0.573 -4.322 1.00 0.00 C ATOM 727 C LEU A 51 -5.767 0.144 -2.876 1.00 0.00 C ATOM 728 O LEU A 51 -4.720 -0.410 -2.540 1.00 0.00 O ATOM 729 CB LEU A 51 -6.965 -0.392 -5.005 1.00 0.00 C ATOM 730 CG LEU A 51 -7.858 0.210 -6.091 1.00 0.00 C ATOM 731 CD1 LEU A 51 -8.589 -0.886 -6.849 1.00 0.00 C ATOM 732 CD2 LEU A 51 -8.848 1.193 -5.483 1.00 0.00 C ATOM 0 H LEU A 51 -4.511 -0.227 -5.569 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.428 1.573 -4.321 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.387 -1.204 -5.447 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.604 -0.834 -4.241 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.226 0.751 -6.796 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.219 -0.439 -7.617 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.863 -1.551 -7.317 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.209 -1.455 -6.157 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.475 1.612 -6.270 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.475 0.676 -4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.304 1.997 -4.986 1.00 0.00 H new ATOM 744 N ALA A 52 -6.754 0.403 -2.025 1.00 0.00 N ATOM 745 CA ALA A 52 -6.663 0.040 -0.616 1.00 0.00 C ATOM 746 C ALA A 52 -6.870 -1.458 -0.421 1.00 0.00 C ATOM 747 O ALA A 52 -7.397 -2.142 -1.299 1.00 0.00 O ATOM 748 CB ALA A 52 -7.679 0.826 0.199 1.00 0.00 C ATOM 0 H ALA A 52 -7.626 0.863 -2.287 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.662 0.291 -0.266 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.599 0.544 1.249 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.483 1.893 0.094 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.684 0.604 -0.161 1.00 0.00 H new ATOM 754 N ASP A 53 -6.454 -1.963 0.735 1.00 0.00 N ATOM 755 CA ASP A 53 -6.595 -3.381 1.046 1.00 0.00 C ATOM 756 C ASP A 53 -5.890 -4.239 0.000 1.00 0.00 C ATOM 757 O ASP A 53 -6.246 -5.399 -0.207 1.00 0.00 O ATOM 758 CB ASP A 53 -8.074 -3.763 1.125 1.00 0.00 C ATOM 759 CG ASP A 53 -8.698 -3.390 2.456 1.00 0.00 C ATOM 760 OD1 ASP A 53 -8.577 -4.186 3.411 1.00 0.00 O ATOM 761 OD2 ASP A 53 -9.305 -2.303 2.542 1.00 0.00 O ATOM 0 H ASP A 53 -6.016 -1.411 1.473 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.129 -3.564 2.014 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.618 -3.268 0.321 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.178 -4.836 0.966 1.00 0.00 H new ATOM 766 N ASP A 54 -4.890 -3.661 -0.656 1.00 0.00 N ATOM 767 CA ASP A 54 -4.135 -4.372 -1.681 1.00 0.00 C ATOM 768 C ASP A 54 -2.995 -5.172 -1.058 1.00 0.00 C ATOM 769 O ASP A 54 -2.043 -4.602 -0.524 1.00 0.00 O ATOM 770 CB ASP A 54 -3.581 -3.388 -2.712 1.00 0.00 C ATOM 771 CG ASP A 54 -4.637 -2.927 -3.697 1.00 0.00 C ATOM 772 OD1 ASP A 54 -5.823 -2.870 -3.312 1.00 0.00 O ATOM 773 OD2 ASP A 54 -4.277 -2.624 -4.855 1.00 0.00 O ATOM 0 H ASP A 54 -4.583 -2.701 -0.496 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.811 -5.066 -2.181 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.166 -2.522 -2.197 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.762 -3.859 -3.256 1.00 0.00 H new ATOM 778 N HIS A 55 -3.098 -6.495 -1.130 1.00 0.00 N ATOM 779 CA HIS A 55 -2.076 -7.374 -0.573 1.00 0.00 C ATOM 780 C HIS A 55 -0.714 -7.085 -1.197 1.00 0.00 C ATOM 781 O HIS A 55 -0.480 -7.385 -2.369 1.00 0.00 O ATOM 782 CB HIS A 55 -2.453 -8.838 -0.799 1.00 0.00 C ATOM 783 CG HIS A 55 -1.821 -9.777 0.182 1.00 0.00 C ATOM 784 ND1 HIS A 55 -2.235 -11.082 0.349 1.00 0.00 N ATOM 785 CD2 HIS A 55 -0.799 -9.595 1.050 1.00 0.00 C ATOM 786 CE1 HIS A 55 -1.496 -11.661 1.277 1.00 0.00 C ATOM 787 NE2 HIS A 55 -0.616 -10.780 1.719 1.00 0.00 N ATOM 0 H HIS A 55 -3.879 -6.982 -1.569 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.014 -7.185 0.499 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.537 -8.939 -0.740 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.160 -9.129 -1.808 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -0.232 -8.686 1.190 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -1.594 -12.681 1.617 1.00 0.00 H new ATOM 0 HE2 HIS A 55 0.085 -10.952 2.440 1.00 0.00 H new ATOM 796 N LEU A 56 0.182 -6.502 -0.408 1.00 0.00 N ATOM 797 CA LEU A 56 1.521 -6.172 -0.883 1.00 0.00 C ATOM 798 C LEU A 56 2.283 -7.432 -1.281 1.00 0.00 C ATOM 799 O LEU A 56 2.486 -8.331 -0.464 1.00 0.00 O ATOM 800 CB LEU A 56 2.294 -5.414 0.197 1.00 0.00 C ATOM 801 CG LEU A 56 3.239 -4.318 -0.297 1.00 0.00 C ATOM 802 CD1 LEU A 56 2.523 -2.977 -0.341 1.00 0.00 C ATOM 803 CD2 LEU A 56 4.473 -4.238 0.589 1.00 0.00 C ATOM 0 H LEU A 56 0.005 -6.248 0.564 1.00 0.00 H new ATOM 0 HA LEU A 56 1.422 -5.537 -1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.575 -4.964 0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.875 -6.134 0.773 1.00 0.00 H new ATOM 0 HG LEU A 56 3.559 -4.569 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.211 -2.209 -0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.671 -3.041 -1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.173 -2.718 0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.134 -3.453 0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.172 -4.011 1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.998 -5.193 0.569 1.00 0.00 H new ATOM 815 N ILE A 57 2.704 -7.490 -2.540 1.00 0.00 N ATOM 816 CA ILE A 57 3.447 -8.638 -3.045 1.00 0.00 C ATOM 817 C ILE A 57 4.930 -8.523 -2.711 1.00 0.00 C ATOM 818 O ILE A 57 5.507 -9.415 -2.088 1.00 0.00 O ATOM 819 CB ILE A 57 3.286 -8.787 -4.569 1.00 0.00 C ATOM 820 CG1 ILE A 57 1.804 -8.883 -4.940 1.00 0.00 C ATOM 821 CG2 ILE A 57 4.042 -10.010 -5.065 1.00 0.00 C ATOM 822 CD1 ILE A 57 1.128 -10.128 -4.410 1.00 0.00 C ATOM 0 H ILE A 57 2.543 -6.755 -3.229 1.00 0.00 H new ATOM 0 HA ILE A 57 3.034 -9.520 -2.556 1.00 0.00 H new ATOM 0 HB ILE A 57 3.706 -7.905 -5.052 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.284 -8.005 -4.556 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.707 -8.861 -6.025 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.918 -10.101 -6.144 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.101 -9.904 -4.829 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.649 -10.903 -4.578 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.080 -10.129 -4.711 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.623 -11.011 -4.814 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.193 -10.142 -3.322 1.00 0.00 H new ATOM 834 N GLU A 58 5.541 -7.418 -3.127 1.00 0.00 N ATOM 835 CA GLU A 58 6.958 -7.187 -2.870 1.00 0.00 C ATOM 836 C GLU A 58 7.271 -5.693 -2.854 1.00 0.00 C ATOM 837 O GLU A 58 6.425 -4.867 -3.194 1.00 0.00 O ATOM 838 CB GLU A 58 7.812 -7.887 -3.929 1.00 0.00 C ATOM 839 CG GLU A 58 7.517 -7.431 -5.348 1.00 0.00 C ATOM 840 CD GLU A 58 8.558 -7.906 -6.343 1.00 0.00 C ATOM 841 OE1 GLU A 58 8.744 -9.135 -6.465 1.00 0.00 O ATOM 842 OE2 GLU A 58 9.186 -7.049 -6.999 1.00 0.00 O ATOM 0 H GLU A 58 5.078 -6.670 -3.643 1.00 0.00 H new ATOM 0 HA GLU A 58 7.196 -7.601 -1.890 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.865 -7.709 -3.711 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.650 -8.963 -3.861 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.537 -7.802 -5.648 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.467 -6.342 -5.373 1.00 0.00 H new ATOM 849 N VAL A 59 8.493 -5.355 -2.456 1.00 0.00 N ATOM 850 CA VAL A 59 8.920 -3.962 -2.395 1.00 0.00 C ATOM 851 C VAL A 59 10.340 -3.799 -2.926 1.00 0.00 C ATOM 852 O VAL A 59 11.273 -4.435 -2.438 1.00 0.00 O ATOM 853 CB VAL A 59 8.855 -3.418 -0.956 1.00 0.00 C ATOM 854 CG1 VAL A 59 9.243 -1.947 -0.924 1.00 0.00 C ATOM 855 CG2 VAL A 59 7.467 -3.625 -0.370 1.00 0.00 C ATOM 0 H VAL A 59 9.205 -6.027 -2.171 1.00 0.00 H new ATOM 0 HA VAL A 59 8.234 -3.392 -3.022 1.00 0.00 H new ATOM 0 HB VAL A 59 9.568 -3.971 -0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.191 -1.579 0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.259 -1.830 -1.301 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.557 -1.376 -1.549 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.440 -3.235 0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.732 -3.100 -0.980 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.233 -4.689 -0.357 1.00 0.00 H new ATOM 865 N ASN A 60 10.495 -2.941 -3.929 1.00 0.00 N ATOM 866 CA ASN A 60 11.802 -2.693 -4.527 1.00 0.00 C ATOM 867 C ASN A 60 12.426 -3.992 -5.029 1.00 0.00 C ATOM 868 O ASN A 60 13.648 -4.127 -5.080 1.00 0.00 O ATOM 869 CB ASN A 60 12.733 -2.026 -3.511 1.00 0.00 C ATOM 870 CG ASN A 60 12.002 -1.044 -2.616 1.00 0.00 C ATOM 871 OD1 ASN A 60 11.012 -0.436 -3.022 1.00 0.00 O ATOM 872 ND2 ASN A 60 12.490 -0.885 -1.391 1.00 0.00 N ATOM 0 H ASN A 60 9.732 -2.406 -4.345 1.00 0.00 H new ATOM 0 HA ASN A 60 11.664 -2.025 -5.377 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.204 -2.793 -2.896 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.532 -1.506 -4.040 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.041 -0.237 -0.743 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.313 -1.411 -1.098 1.00 0.00 H new ATOM 879 N GLY A 61 11.577 -4.946 -5.398 1.00 0.00 N ATOM 880 CA GLY A 61 12.063 -6.221 -5.891 1.00 0.00 C ATOM 881 C GLY A 61 12.434 -7.173 -4.771 1.00 0.00 C ATOM 882 O GLY A 61 13.347 -7.985 -4.916 1.00 0.00 O ATOM 0 H GLY A 61 10.561 -4.859 -5.364 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.297 -6.681 -6.516 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.934 -6.054 -6.525 1.00 0.00 H new ATOM 886 N GLU A 62 11.726 -7.071 -3.651 1.00 0.00 N ATOM 887 CA GLU A 62 11.988 -7.929 -2.501 1.00 0.00 C ATOM 888 C GLU A 62 10.700 -8.571 -1.996 1.00 0.00 C ATOM 889 O GLU A 62 9.900 -7.930 -1.315 1.00 0.00 O ATOM 890 CB GLU A 62 12.645 -7.125 -1.377 1.00 0.00 C ATOM 891 CG GLU A 62 14.007 -6.562 -1.747 1.00 0.00 C ATOM 892 CD GLU A 62 14.793 -6.093 -0.538 1.00 0.00 C ATOM 893 OE1 GLU A 62 14.346 -5.135 0.125 1.00 0.00 O ATOM 894 OE2 GLU A 62 15.856 -6.685 -0.256 1.00 0.00 O ATOM 0 H GLU A 62 10.967 -6.403 -3.515 1.00 0.00 H new ATOM 0 HA GLU A 62 12.667 -8.720 -2.818 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.986 -6.304 -1.096 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.751 -7.763 -0.500 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.580 -7.325 -2.275 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.876 -5.728 -2.436 1.00 0.00 H new ATOM 901 N ASN A 63 10.506 -9.841 -2.335 1.00 0.00 N ATOM 902 CA ASN A 63 9.314 -10.571 -1.917 1.00 0.00 C ATOM 903 C ASN A 63 9.044 -10.364 -0.430 1.00 0.00 C ATOM 904 O ASN A 63 9.738 -10.920 0.421 1.00 0.00 O ATOM 905 CB ASN A 63 9.474 -12.063 -2.216 1.00 0.00 C ATOM 906 CG ASN A 63 8.309 -12.884 -1.697 1.00 0.00 C ATOM 907 OD1 ASN A 63 8.458 -13.674 -0.765 1.00 0.00 O ATOM 908 ND2 ASN A 63 7.140 -12.700 -2.301 1.00 0.00 N ATOM 0 H ASN A 63 11.159 -10.386 -2.898 1.00 0.00 H new ATOM 0 HA ASN A 63 8.464 -10.184 -2.479 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.566 -12.207 -3.292 1.00 0.00 H new ATOM 0 HB3 ASN A 63 10.399 -12.424 -1.766 1.00 0.00 H new ATOM 0 HD21 ASN A 63 6.320 -13.224 -1.996 1.00 0.00 H new ATOM 0 HD22 ASN A 63 7.062 -12.034 -3.070 1.00 0.00 H new ATOM 915 N VAL A 64 8.029 -9.562 -0.125 1.00 0.00 N ATOM 916 CA VAL A 64 7.665 -9.283 1.260 1.00 0.00 C ATOM 917 C VAL A 64 6.255 -9.776 1.567 1.00 0.00 C ATOM 918 O VAL A 64 5.692 -9.461 2.615 1.00 0.00 O ATOM 919 CB VAL A 64 7.750 -7.777 1.570 1.00 0.00 C ATOM 920 CG1 VAL A 64 9.197 -7.310 1.557 1.00 0.00 C ATOM 921 CG2 VAL A 64 6.915 -6.981 0.578 1.00 0.00 C ATOM 0 H VAL A 64 7.444 -9.094 -0.817 1.00 0.00 H new ATOM 0 HA VAL A 64 8.378 -9.816 1.889 1.00 0.00 H new ATOM 0 HB VAL A 64 7.347 -7.606 2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.237 -6.243 1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.763 -7.858 2.310 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.630 -7.493 0.573 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.987 -5.919 0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.285 -7.156 -0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.874 -7.297 0.642 1.00 0.00 H new ATOM 931 N GLU A 65 5.691 -10.550 0.645 1.00 0.00 N ATOM 932 CA GLU A 65 4.345 -11.086 0.818 1.00 0.00 C ATOM 933 C GLU A 65 4.069 -11.399 2.286 1.00 0.00 C ATOM 934 O GLU A 65 3.005 -11.072 2.812 1.00 0.00 O ATOM 935 CB GLU A 65 4.163 -12.348 -0.027 1.00 0.00 C ATOM 936 CG GLU A 65 3.738 -12.066 -1.458 1.00 0.00 C ATOM 937 CD GLU A 65 3.303 -13.318 -2.195 1.00 0.00 C ATOM 938 OE1 GLU A 65 4.128 -14.245 -2.330 1.00 0.00 O ATOM 939 OE2 GLU A 65 2.136 -13.370 -2.637 1.00 0.00 O ATOM 0 H GLU A 65 6.144 -10.820 -0.228 1.00 0.00 H new ATOM 0 HA GLU A 65 3.634 -10.329 0.486 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.099 -12.906 -0.038 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.417 -12.987 0.445 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.918 -11.348 -1.455 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.566 -11.602 -1.994 1.00 0.00 H new ATOM 946 N ASP A 66 5.035 -12.034 2.941 1.00 0.00 N ATOM 947 CA ASP A 66 4.897 -12.391 4.348 1.00 0.00 C ATOM 948 C ASP A 66 6.073 -11.859 5.162 1.00 0.00 C ATOM 949 O ASP A 66 6.662 -12.582 5.964 1.00 0.00 O ATOM 950 CB ASP A 66 4.798 -13.910 4.504 1.00 0.00 C ATOM 951 CG ASP A 66 6.001 -14.630 3.927 1.00 0.00 C ATOM 952 OD1 ASP A 66 7.138 -14.165 4.156 1.00 0.00 O ATOM 953 OD2 ASP A 66 5.807 -15.658 3.246 1.00 0.00 O ATOM 0 H ASP A 66 5.922 -12.312 2.520 1.00 0.00 H new ATOM 0 HA ASP A 66 3.982 -11.935 4.725 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.702 -14.158 5.561 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.894 -14.265 4.010 1.00 0.00 H new ATOM 958 N ALA A 67 6.408 -10.591 4.948 1.00 0.00 N ATOM 959 CA ALA A 67 7.513 -9.962 5.661 1.00 0.00 C ATOM 960 C ALA A 67 7.002 -9.077 6.793 1.00 0.00 C ATOM 961 O ALA A 67 6.076 -8.287 6.606 1.00 0.00 O ATOM 962 CB ALA A 67 8.369 -9.152 4.700 1.00 0.00 C ATOM 0 H ALA A 67 5.930 -9.979 4.287 1.00 0.00 H new ATOM 0 HA ALA A 67 8.126 -10.750 6.099 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.190 -8.688 5.247 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.772 -9.809 3.929 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.760 -8.377 4.234 1.00 0.00 H new ATOM 968 N SER A 68 7.611 -9.214 7.966 1.00 0.00 N ATOM 969 CA SER A 68 7.214 -8.429 9.129 1.00 0.00 C ATOM 970 C SER A 68 7.145 -6.944 8.785 1.00 0.00 C ATOM 971 O SER A 68 7.861 -6.465 7.905 1.00 0.00 O ATOM 972 CB SER A 68 8.196 -8.652 10.281 1.00 0.00 C ATOM 973 OG SER A 68 8.234 -7.529 11.144 1.00 0.00 O ATOM 0 H SER A 68 8.381 -9.861 8.136 1.00 0.00 H new ATOM 0 HA SER A 68 6.222 -8.759 9.437 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.905 -9.538 10.845 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.192 -8.842 9.882 1.00 0.00 H new ATOM 0 HG SER A 68 8.867 -7.698 11.872 1.00 0.00 H new ATOM 979 N HIS A 69 6.277 -6.220 9.485 1.00 0.00 N ATOM 980 CA HIS A 69 6.114 -4.789 9.255 1.00 0.00 C ATOM 981 C HIS A 69 7.433 -4.052 9.462 1.00 0.00 C ATOM 982 O HIS A 69 7.718 -3.069 8.778 1.00 0.00 O ATOM 983 CB HIS A 69 5.046 -4.220 10.190 1.00 0.00 C ATOM 984 CG HIS A 69 4.511 -2.892 9.749 1.00 0.00 C ATOM 985 ND1 HIS A 69 3.392 -2.309 10.306 1.00 0.00 N ATOM 986 CD2 HIS A 69 4.949 -2.032 8.800 1.00 0.00 C ATOM 987 CE1 HIS A 69 3.164 -1.149 9.717 1.00 0.00 C ATOM 988 NE2 HIS A 69 4.094 -0.957 8.800 1.00 0.00 N ATOM 0 H HIS A 69 5.676 -6.601 10.216 1.00 0.00 H new ATOM 0 HA HIS A 69 5.796 -4.645 8.222 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.221 -4.929 10.261 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.467 -4.119 11.190 1.00 0.00 H new ATOM 0 HD1 HIS A 69 2.829 -2.711 11.055 1.00 0.00 H new ATOM 0 HD2 HIS A 69 5.810 -2.166 8.162 1.00 0.00 H new ATOM 0 HE1 HIS A 69 2.354 -0.472 9.947 1.00 0.00 H new ATOM 997 N GLU A 70 8.233 -4.533 10.409 1.00 0.00 N ATOM 998 CA GLU A 70 9.521 -3.917 10.705 1.00 0.00 C ATOM 999 C GLU A 70 10.554 -4.278 9.642 1.00 0.00 C ATOM 1000 O GLU A 70 11.548 -3.574 9.464 1.00 0.00 O ATOM 1001 CB GLU A 70 10.017 -4.358 12.084 1.00 0.00 C ATOM 1002 CG GLU A 70 9.442 -3.540 13.228 1.00 0.00 C ATOM 1003 CD GLU A 70 10.186 -3.757 14.531 1.00 0.00 C ATOM 1004 OE1 GLU A 70 10.410 -4.929 14.899 1.00 0.00 O ATOM 1005 OE2 GLU A 70 10.544 -2.753 15.183 1.00 0.00 O ATOM 0 H GLU A 70 8.012 -5.346 10.983 1.00 0.00 H new ATOM 0 HA GLU A 70 9.386 -2.835 10.704 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.762 -5.407 12.234 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.104 -4.288 12.109 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.476 -2.482 12.966 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.393 -3.801 13.365 1.00 0.00 H new ATOM 1012 N GLU A 71 10.310 -5.379 8.937 1.00 0.00 N ATOM 1013 CA GLU A 71 11.220 -5.833 7.893 1.00 0.00 C ATOM 1014 C GLU A 71 11.006 -5.044 6.604 1.00 0.00 C ATOM 1015 O GLU A 71 11.944 -4.818 5.839 1.00 0.00 O ATOM 1016 CB GLU A 71 11.023 -7.327 7.628 1.00 0.00 C ATOM 1017 CG GLU A 71 11.554 -8.218 8.738 1.00 0.00 C ATOM 1018 CD GLU A 71 13.029 -7.991 9.012 1.00 0.00 C ATOM 1019 OE1 GLU A 71 13.844 -8.224 8.095 1.00 0.00 O ATOM 1020 OE2 GLU A 71 13.367 -7.582 10.142 1.00 0.00 O ATOM 0 H GLU A 71 9.491 -5.972 9.070 1.00 0.00 H new ATOM 0 HA GLU A 71 12.240 -5.664 8.237 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.960 -7.526 7.491 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.519 -7.590 6.694 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.986 -8.034 9.650 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.395 -9.262 8.469 1.00 0.00 H new ATOM 1027 N VAL A 72 9.766 -4.629 6.370 1.00 0.00 N ATOM 1028 CA VAL A 72 9.427 -3.865 5.175 1.00 0.00 C ATOM 1029 C VAL A 72 9.670 -2.375 5.388 1.00 0.00 C ATOM 1030 O VAL A 72 10.481 -1.762 4.694 1.00 0.00 O ATOM 1031 CB VAL A 72 7.958 -4.082 4.768 1.00 0.00 C ATOM 1032 CG1 VAL A 72 7.609 -3.233 3.555 1.00 0.00 C ATOM 1033 CG2 VAL A 72 7.693 -5.554 4.493 1.00 0.00 C ATOM 0 H VAL A 72 8.978 -4.809 6.993 1.00 0.00 H new ATOM 0 HA VAL A 72 10.074 -4.225 4.375 1.00 0.00 H new ATOM 0 HB VAL A 72 7.320 -3.770 5.595 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.567 -3.400 3.282 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.758 -2.180 3.793 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.252 -3.510 2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.650 -5.689 4.207 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.338 -5.895 3.683 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.901 -6.135 5.392 1.00 0.00 H new ATOM 1043 N VAL A 73 8.962 -1.798 6.353 1.00 0.00 N ATOM 1044 CA VAL A 73 9.101 -0.379 6.660 1.00 0.00 C ATOM 1045 C VAL A 73 10.542 0.083 6.478 1.00 0.00 C ATOM 1046 O VAL A 73 10.799 1.119 5.865 1.00 0.00 O ATOM 1047 CB VAL A 73 8.652 -0.069 8.100 1.00 0.00 C ATOM 1048 CG1 VAL A 73 9.395 -0.950 9.093 1.00 0.00 C ATOM 1049 CG2 VAL A 73 8.864 1.403 8.419 1.00 0.00 C ATOM 0 H VAL A 73 8.286 -2.291 6.936 1.00 0.00 H new ATOM 0 HA VAL A 73 8.458 0.160 5.964 1.00 0.00 H new ATOM 0 HB VAL A 73 7.587 -0.286 8.184 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.064 -0.716 10.105 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.187 -1.998 8.876 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.466 -0.768 9.010 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.541 1.604 9.441 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.921 1.649 8.317 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.282 2.013 7.728 1.00 0.00 H new ATOM 1059 N GLU A 74 11.479 -0.692 7.014 1.00 0.00 N ATOM 1060 CA GLU A 74 12.895 -0.361 6.911 1.00 0.00 C ATOM 1061 C GLU A 74 13.378 -0.482 5.469 1.00 0.00 C ATOM 1062 O GLU A 74 14.124 0.367 4.978 1.00 0.00 O ATOM 1063 CB GLU A 74 13.723 -1.276 7.816 1.00 0.00 C ATOM 1064 CG GLU A 74 13.772 -2.718 7.342 1.00 0.00 C ATOM 1065 CD GLU A 74 14.722 -3.570 8.162 1.00 0.00 C ATOM 1066 OE1 GLU A 74 15.926 -3.243 8.205 1.00 0.00 O ATOM 1067 OE2 GLU A 74 14.259 -4.564 8.761 1.00 0.00 O ATOM 0 H GLU A 74 11.283 -1.553 7.524 1.00 0.00 H new ATOM 0 HA GLU A 74 13.025 0.672 7.234 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.740 -0.888 7.878 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.309 -1.248 8.824 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.771 -3.147 7.391 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.078 -2.743 6.296 1.00 0.00 H new ATOM 1074 N LYS A 75 12.949 -1.542 4.794 1.00 0.00 N ATOM 1075 CA LYS A 75 13.335 -1.776 3.408 1.00 0.00 C ATOM 1076 C LYS A 75 12.994 -0.571 2.537 1.00 0.00 C ATOM 1077 O LYS A 75 13.801 -0.138 1.715 1.00 0.00 O ATOM 1078 CB LYS A 75 12.636 -3.025 2.865 1.00 0.00 C ATOM 1079 CG LYS A 75 13.327 -4.323 3.248 1.00 0.00 C ATOM 1080 CD LYS A 75 12.443 -5.527 2.970 1.00 0.00 C ATOM 1081 CE LYS A 75 13.269 -6.757 2.624 1.00 0.00 C ATOM 1082 NZ LYS A 75 12.417 -7.964 2.440 1.00 0.00 N ATOM 0 H LYS A 75 12.332 -2.254 5.185 1.00 0.00 H new ATOM 0 HA LYS A 75 14.414 -1.930 3.379 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.610 -3.047 3.234 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.583 -2.958 1.778 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.259 -4.418 2.691 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.589 -4.299 4.306 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.826 -5.736 3.844 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.765 -5.300 2.148 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.835 -6.569 1.711 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.994 -6.942 3.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.022 -8.804 2.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.797 -8.080 3.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.836 -7.852 1.584 1.00 0.00 H new ATOM 1096 N VAL A 76 11.793 -0.033 2.724 1.00 0.00 N ATOM 1097 CA VAL A 76 11.346 1.124 1.957 1.00 0.00 C ATOM 1098 C VAL A 76 12.244 2.330 2.209 1.00 0.00 C ATOM 1099 O VAL A 76 12.789 2.918 1.275 1.00 0.00 O ATOM 1100 CB VAL A 76 9.892 1.499 2.303 1.00 0.00 C ATOM 1101 CG1 VAL A 76 9.513 2.822 1.655 1.00 0.00 C ATOM 1102 CG2 VAL A 76 8.941 0.393 1.872 1.00 0.00 C ATOM 0 H VAL A 76 11.112 -0.380 3.400 1.00 0.00 H new ATOM 0 HA VAL A 76 11.401 0.847 0.904 1.00 0.00 H new ATOM 0 HB VAL A 76 9.812 1.616 3.384 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.483 3.070 1.911 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.176 3.608 2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.608 2.737 0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.918 0.674 2.124 1.00 0.00 H new ATOM 0 HG22 VAL A 76 9.022 0.243 0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.201 -0.532 2.388 1.00 0.00 H new ATOM 1112 N LYS A 77 12.393 2.695 3.478 1.00 0.00 N ATOM 1113 CA LYS A 77 13.227 3.831 3.855 1.00 0.00 C ATOM 1114 C LYS A 77 14.585 3.761 3.165 1.00 0.00 C ATOM 1115 O LYS A 77 15.029 4.728 2.546 1.00 0.00 O ATOM 1116 CB LYS A 77 13.415 3.870 5.373 1.00 0.00 C ATOM 1117 CG LYS A 77 12.341 4.662 6.099 1.00 0.00 C ATOM 1118 CD LYS A 77 12.856 5.224 7.413 1.00 0.00 C ATOM 1119 CE LYS A 77 12.674 4.234 8.553 1.00 0.00 C ATOM 1120 NZ LYS A 77 13.821 3.291 8.656 1.00 0.00 N ATOM 0 H LYS A 77 11.947 2.221 4.263 1.00 0.00 H new ATOM 0 HA LYS A 77 12.723 4.743 3.534 1.00 0.00 H new ATOM 0 HB2 LYS A 77 13.423 2.850 5.756 1.00 0.00 H new ATOM 0 HB3 LYS A 77 14.389 4.303 5.599 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.997 5.478 5.463 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.480 4.021 6.289 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.912 5.475 7.313 1.00 0.00 H new ATOM 0 HD3 LYS A 77 12.329 6.149 7.646 1.00 0.00 H new ATOM 0 HE2 LYS A 77 12.565 4.777 9.492 1.00 0.00 H new ATOM 0 HE3 LYS A 77 11.753 3.671 8.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 13.465 2.315 8.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 14.432 3.396 7.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 14.368 3.503 9.515 1.00 0.00 H new ATOM 1134 N LYS A 78 15.241 2.611 3.275 1.00 0.00 N ATOM 1135 CA LYS A 78 16.549 2.413 2.661 1.00 0.00 C ATOM 1136 C LYS A 78 16.523 2.809 1.188 1.00 0.00 C ATOM 1137 O LYS A 78 17.342 3.608 0.735 1.00 0.00 O ATOM 1138 CB LYS A 78 16.985 0.953 2.800 1.00 0.00 C ATOM 1139 CG LYS A 78 16.973 0.448 4.232 1.00 0.00 C ATOM 1140 CD LYS A 78 18.321 0.646 4.905 1.00 0.00 C ATOM 1141 CE LYS A 78 18.583 -0.424 5.953 1.00 0.00 C ATOM 1142 NZ LYS A 78 20.037 -0.571 6.243 1.00 0.00 N ATOM 0 H LYS A 78 14.888 1.801 3.784 1.00 0.00 H new ATOM 0 HA LYS A 78 17.266 3.050 3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 78 16.327 0.327 2.197 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.990 0.843 2.393 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.203 0.973 4.797 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.712 -0.610 4.243 1.00 0.00 H new ATOM 0 HD2 LYS A 78 19.111 0.622 4.154 1.00 0.00 H new ATOM 0 HD3 LYS A 78 18.355 1.630 5.372 1.00 0.00 H new ATOM 0 HE2 LYS A 78 18.053 -0.171 6.871 1.00 0.00 H new ATOM 0 HE3 LYS A 78 18.183 -1.377 5.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 20.175 -1.310 6.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 20.539 -0.837 5.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 20.413 0.331 6.597 1.00 0.00 H new ATOM 1156 N SER A 79 15.575 2.246 0.445 1.00 0.00 N ATOM 1157 CA SER A 79 15.444 2.538 -0.977 1.00 0.00 C ATOM 1158 C SER A 79 15.851 3.978 -1.276 1.00 0.00 C ATOM 1159 O SER A 79 16.607 4.240 -2.210 1.00 0.00 O ATOM 1160 CB SER A 79 14.005 2.297 -1.439 1.00 0.00 C ATOM 1161 OG SER A 79 13.965 1.900 -2.798 1.00 0.00 O ATOM 0 H SER A 79 14.887 1.585 0.805 1.00 0.00 H new ATOM 0 HA SER A 79 16.110 1.869 -1.522 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.545 1.528 -0.819 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.420 3.207 -1.305 1.00 0.00 H new ATOM 0 HG SER A 79 13.426 2.539 -3.310 1.00 0.00 H new ATOM 1167 N GLY A 80 15.343 4.909 -0.473 1.00 0.00 N ATOM 1168 CA GLY A 80 15.665 6.311 -0.667 1.00 0.00 C ATOM 1169 C GLY A 80 14.439 7.200 -0.603 1.00 0.00 C ATOM 1170 O GLY A 80 13.888 7.434 0.472 1.00 0.00 O ATOM 0 H GLY A 80 14.715 4.717 0.307 1.00 0.00 H new ATOM 0 HA2 GLY A 80 16.379 6.626 0.094 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.153 6.439 -1.633 1.00 0.00 H new ATOM 1174 N SER A 81 14.012 7.699 -1.759 1.00 0.00 N ATOM 1175 CA SER A 81 12.847 8.573 -1.830 1.00 0.00 C ATOM 1176 C SER A 81 11.723 7.917 -2.628 1.00 0.00 C ATOM 1177 O SER A 81 10.572 8.349 -2.570 1.00 0.00 O ATOM 1178 CB SER A 81 13.225 9.912 -2.466 1.00 0.00 C ATOM 1179 OG SER A 81 14.394 10.447 -1.871 1.00 0.00 O ATOM 0 H SER A 81 14.455 7.513 -2.659 1.00 0.00 H new ATOM 0 HA SER A 81 12.493 8.749 -0.814 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.386 9.777 -3.536 1.00 0.00 H new ATOM 0 HB3 SER A 81 12.401 10.617 -2.354 1.00 0.00 H new ATOM 0 HG SER A 81 14.616 11.302 -2.296 1.00 0.00 H new ATOM 1185 N ARG A 82 12.068 6.871 -3.372 1.00 0.00 N ATOM 1186 CA ARG A 82 11.090 6.156 -4.183 1.00 0.00 C ATOM 1187 C ARG A 82 11.224 4.648 -3.992 1.00 0.00 C ATOM 1188 O ARG A 82 12.291 4.150 -3.631 1.00 0.00 O ATOM 1189 CB ARG A 82 11.263 6.511 -5.660 1.00 0.00 C ATOM 1190 CG ARG A 82 12.712 6.514 -6.120 1.00 0.00 C ATOM 1191 CD ARG A 82 12.827 6.193 -7.602 1.00 0.00 C ATOM 1192 NE ARG A 82 12.733 7.391 -8.431 1.00 0.00 N ATOM 1193 CZ ARG A 82 12.872 7.384 -9.752 1.00 0.00 C ATOM 1194 NH1 ARG A 82 13.111 6.247 -10.391 1.00 0.00 N ATOM 1195 NH2 ARG A 82 12.773 8.516 -10.437 1.00 0.00 N ATOM 0 H ARG A 82 13.016 6.500 -3.430 1.00 0.00 H new ATOM 0 HA ARG A 82 10.095 6.459 -3.858 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.700 5.799 -6.264 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.831 7.495 -5.841 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.155 7.490 -5.923 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.279 5.784 -5.543 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.778 5.695 -7.792 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.039 5.495 -7.884 1.00 0.00 H new ATOM 0 HE ARG A 82 12.551 8.283 -7.970 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.189 5.375 -9.868 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.217 6.245 -11.405 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.590 9.393 -9.949 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.880 8.509 -11.451 1.00 0.00 H new ATOM 1209 N VAL A 83 10.135 3.926 -4.235 1.00 0.00 N ATOM 1210 CA VAL A 83 10.131 2.475 -4.091 1.00 0.00 C ATOM 1211 C VAL A 83 9.217 1.823 -5.122 1.00 0.00 C ATOM 1212 O VAL A 83 8.375 2.485 -5.727 1.00 0.00 O ATOM 1213 CB VAL A 83 9.679 2.053 -2.680 1.00 0.00 C ATOM 1214 CG1 VAL A 83 10.864 2.016 -1.728 1.00 0.00 C ATOM 1215 CG2 VAL A 83 8.599 2.992 -2.164 1.00 0.00 C ATOM 0 H VAL A 83 9.244 4.322 -4.533 1.00 0.00 H new ATOM 0 HA VAL A 83 11.155 2.138 -4.253 1.00 0.00 H new ATOM 0 HB VAL A 83 9.259 1.049 -2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.525 1.716 -0.736 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.601 1.300 -2.092 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.317 3.006 -1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.291 2.679 -1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.991 4.008 -2.121 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.740 2.962 -2.835 1.00 0.00 H new ATOM 1225 N MET A 84 9.390 0.520 -5.318 1.00 0.00 N ATOM 1226 CA MET A 84 8.579 -0.223 -6.276 1.00 0.00 C ATOM 1227 C MET A 84 7.638 -1.187 -5.559 1.00 0.00 C ATOM 1228 O MET A 84 8.068 -2.212 -5.030 1.00 0.00 O ATOM 1229 CB MET A 84 9.476 -0.995 -7.245 1.00 0.00 C ATOM 1230 CG MET A 84 8.736 -2.052 -8.048 1.00 0.00 C ATOM 1231 SD MET A 84 9.847 -3.108 -8.997 1.00 0.00 S ATOM 1232 CE MET A 84 10.810 -1.881 -9.878 1.00 0.00 C ATOM 0 H MET A 84 10.084 -0.043 -4.827 1.00 0.00 H new ATOM 0 HA MET A 84 7.979 0.492 -6.839 1.00 0.00 H new ATOM 0 HB2 MET A 84 9.945 -0.291 -7.932 1.00 0.00 H new ATOM 0 HB3 MET A 84 10.278 -1.473 -6.682 1.00 0.00 H new ATOM 0 HG2 MET A 84 8.145 -2.669 -7.371 1.00 0.00 H new ATOM 0 HG3 MET A 84 8.037 -1.564 -8.727 1.00 0.00 H new ATOM 0 HE1 MET A 84 11.336 -2.357 -10.706 1.00 0.00 H new ATOM 0 HE2 MET A 84 10.147 -1.108 -10.266 1.00 0.00 H new ATOM 0 HE3 MET A 84 11.534 -1.430 -9.199 1.00 0.00 H new ATOM 1242 N PHE A 85 6.353 -0.850 -5.545 1.00 0.00 N ATOM 1243 CA PHE A 85 5.351 -1.685 -4.893 1.00 0.00 C ATOM 1244 C PHE A 85 4.563 -2.492 -5.920 1.00 0.00 C ATOM 1245 O PHE A 85 4.248 -2.000 -7.004 1.00 0.00 O ATOM 1246 CB PHE A 85 4.397 -0.821 -4.065 1.00 0.00 C ATOM 1247 CG PHE A 85 5.063 -0.134 -2.907 1.00 0.00 C ATOM 1248 CD1 PHE A 85 5.574 -0.869 -1.849 1.00 0.00 C ATOM 1249 CD2 PHE A 85 5.177 1.246 -2.876 1.00 0.00 C ATOM 1250 CE1 PHE A 85 6.187 -0.240 -0.782 1.00 0.00 C ATOM 1251 CE2 PHE A 85 5.790 1.881 -1.812 1.00 0.00 C ATOM 1252 CZ PHE A 85 6.294 1.137 -0.763 1.00 0.00 C ATOM 0 H PHE A 85 5.981 -0.005 -5.978 1.00 0.00 H new ATOM 0 HA PHE A 85 5.868 -2.380 -4.231 1.00 0.00 H new ATOM 0 HB2 PHE A 85 3.946 -0.069 -4.713 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.587 -1.446 -3.689 1.00 0.00 H new ATOM 0 HD1 PHE A 85 5.492 -1.946 -1.858 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.782 1.833 -3.692 1.00 0.00 H new ATOM 0 HE1 PHE A 85 6.582 -0.824 0.036 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.875 2.958 -1.801 1.00 0.00 H new ATOM 0 HZ PHE A 85 6.771 1.631 0.071 1.00 0.00 H new ATOM 1262 N LEU A 86 4.247 -3.735 -5.571 1.00 0.00 N ATOM 1263 CA LEU A 86 3.495 -4.612 -6.462 1.00 0.00 C ATOM 1264 C LEU A 86 2.329 -5.264 -5.728 1.00 0.00 C ATOM 1265 O LEU A 86 2.527 -6.073 -4.820 1.00 0.00 O ATOM 1266 CB LEU A 86 4.413 -5.689 -7.044 1.00 0.00 C ATOM 1267 CG LEU A 86 3.744 -6.724 -7.948 1.00 0.00 C ATOM 1268 CD1 LEU A 86 3.709 -6.233 -9.387 1.00 0.00 C ATOM 1269 CD2 LEU A 86 4.468 -8.059 -7.857 1.00 0.00 C ATOM 0 H LEU A 86 4.500 -4.158 -4.678 1.00 0.00 H new ATOM 0 HA LEU A 86 3.095 -4.006 -7.275 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.203 -5.197 -7.611 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.893 -6.214 -6.218 1.00 0.00 H new ATOM 0 HG LEU A 86 2.718 -6.865 -7.608 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.229 -6.983 -10.016 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.146 -5.301 -9.440 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.727 -6.062 -9.738 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.978 -8.784 -8.507 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.504 -7.933 -8.170 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.441 -8.418 -6.828 1.00 0.00 H new ATOM 1281 N LEU A 87 1.112 -4.910 -6.127 1.00 0.00 N ATOM 1282 CA LEU A 87 -0.087 -5.463 -5.508 1.00 0.00 C ATOM 1283 C LEU A 87 -1.107 -5.873 -6.567 1.00 0.00 C ATOM 1284 O LEU A 87 -0.912 -5.631 -7.758 1.00 0.00 O ATOM 1285 CB LEU A 87 -0.709 -4.443 -4.553 1.00 0.00 C ATOM 1286 CG LEU A 87 0.260 -3.453 -3.905 1.00 0.00 C ATOM 1287 CD1 LEU A 87 0.452 -2.234 -4.794 1.00 0.00 C ATOM 1288 CD2 LEU A 87 -0.242 -3.039 -2.530 1.00 0.00 C ATOM 0 H LEU A 87 0.930 -4.242 -6.876 1.00 0.00 H new ATOM 0 HA LEU A 87 0.201 -6.350 -4.944 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.464 -3.877 -5.099 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.227 -4.985 -3.762 1.00 0.00 H new ATOM 0 HG LEU A 87 1.225 -3.945 -3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.145 -1.541 -4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.857 -2.546 -5.757 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.508 -1.740 -4.947 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.460 -2.334 -2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.219 -2.566 -2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.327 -3.920 -1.893 1.00 0.00 H new ATOM 1300 N VAL A 88 -2.196 -6.493 -6.124 1.00 0.00 N ATOM 1301 CA VAL A 88 -3.248 -6.933 -7.032 1.00 0.00 C ATOM 1302 C VAL A 88 -4.563 -6.221 -6.736 1.00 0.00 C ATOM 1303 O VAL A 88 -4.835 -5.847 -5.595 1.00 0.00 O ATOM 1304 CB VAL A 88 -3.468 -8.455 -6.940 1.00 0.00 C ATOM 1305 CG1 VAL A 88 -4.438 -8.920 -8.015 1.00 0.00 C ATOM 1306 CG2 VAL A 88 -2.142 -9.193 -7.050 1.00 0.00 C ATOM 0 H VAL A 88 -2.373 -6.702 -5.141 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.922 -6.681 -8.041 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.904 -8.684 -5.968 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.581 -9.998 -7.934 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.396 -8.416 -7.884 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.034 -8.680 -8.998 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.317 -10.267 -6.983 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.674 -8.960 -8.007 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.484 -8.881 -6.239 1.00 0.00 H new ATOM 1316 N ASP A 89 -5.376 -6.039 -7.770 1.00 0.00 N ATOM 1317 CA ASP A 89 -6.665 -5.373 -7.622 1.00 0.00 C ATOM 1318 C ASP A 89 -7.585 -6.169 -6.702 1.00 0.00 C ATOM 1319 O ASP A 89 -7.954 -7.304 -7.006 1.00 0.00 O ATOM 1320 CB ASP A 89 -7.326 -5.185 -8.988 1.00 0.00 C ATOM 1321 CG ASP A 89 -6.405 -4.518 -9.990 1.00 0.00 C ATOM 1322 OD1 ASP A 89 -6.331 -3.271 -9.991 1.00 0.00 O ATOM 1323 OD2 ASP A 89 -5.758 -5.244 -10.774 1.00 0.00 O ATOM 0 H ASP A 89 -5.166 -6.343 -8.721 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.492 -4.395 -7.174 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.637 -6.156 -9.375 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -8.228 -4.584 -8.872 1.00 0.00 H new ATOM 1328 N LYS A 90 -7.952 -5.568 -5.575 1.00 0.00 N ATOM 1329 CA LYS A 90 -8.829 -6.220 -4.610 1.00 0.00 C ATOM 1330 C LYS A 90 -9.941 -6.988 -5.318 1.00 0.00 C ATOM 1331 O LYS A 90 -10.368 -8.045 -4.855 1.00 0.00 O ATOM 1332 CB LYS A 90 -9.435 -5.184 -3.660 1.00 0.00 C ATOM 1333 CG LYS A 90 -10.371 -4.204 -4.346 1.00 0.00 C ATOM 1334 CD LYS A 90 -11.280 -3.509 -3.346 1.00 0.00 C ATOM 1335 CE LYS A 90 -12.529 -4.329 -3.063 1.00 0.00 C ATOM 1336 NZ LYS A 90 -13.162 -3.949 -1.770 1.00 0.00 N ATOM 0 H LYS A 90 -7.655 -4.630 -5.308 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.233 -6.927 -4.034 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.980 -5.702 -2.871 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.629 -4.629 -3.180 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.787 -3.459 -4.887 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.976 -4.732 -5.083 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.737 -3.339 -2.416 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.566 -2.530 -3.732 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -13.246 -4.190 -3.873 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.271 -5.388 -3.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -14.010 -4.531 -1.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.487 -4.105 -0.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.431 -2.945 -1.797 1.00 0.00 H new ATOM 1350 N GLU A 91 -10.404 -6.449 -6.441 1.00 0.00 N ATOM 1351 CA GLU A 91 -11.466 -7.086 -7.212 1.00 0.00 C ATOM 1352 C GLU A 91 -11.056 -8.491 -7.646 1.00 0.00 C ATOM 1353 O GLU A 91 -11.841 -9.435 -7.556 1.00 0.00 O ATOM 1354 CB GLU A 91 -11.811 -6.242 -8.440 1.00 0.00 C ATOM 1355 CG GLU A 91 -12.580 -4.973 -8.110 1.00 0.00 C ATOM 1356 CD GLU A 91 -11.687 -3.873 -7.571 1.00 0.00 C ATOM 1357 OE1 GLU A 91 -10.491 -3.849 -7.930 1.00 0.00 O ATOM 1358 OE2 GLU A 91 -12.184 -3.036 -6.789 1.00 0.00 O ATOM 0 H GLU A 91 -10.061 -5.574 -6.837 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.346 -7.164 -6.574 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.890 -5.974 -8.957 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.401 -6.845 -9.131 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.088 -4.617 -9.006 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.352 -5.201 -7.376 1.00 0.00 H new