USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 567 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 30 MET CE :methyl -142:sc= -0.157 (180deg=-1.01) USER MOD Set 1.2: A 102 SER OG : rot 140:sc=-0.00883 USER MOD Single : A 12 LYS NZ :NH3+ -143:sc= -0.982 (180deg=-3.76!) USER MOD Single : A 15 THR OG1 : rot 96:sc= -0.536! USER MOD Single : A 19 THR OG1 : rot 80:sc= -1.02 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 163:sc= -0.0493 (180deg=-0.421) USER MOD Single : A 23 GLN :FLIP amide:sc= -1.78 F(o=-3.4!,f=-1.8) USER MOD Single : A 28 GLN :FLIP amide:sc= -0.758 F(o=-6.2!,f=-0.76) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -129:sc= -0.0731 (180deg=-0.814) USER MOD Single : A 36 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.13) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 96:sc= 1.17 USER MOD Single : A 90 THR OG1 : rot 115:sc= 0.694 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -101:sc= -1.29 USER MOD Single : A 94 HIS : no HD1:sc= -0.0487 K(o=-0.049,f=-0.61) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 152:sc= -0.149 (180deg=-0.853) USER MOD Single : A 99 THR OG1 : rot -23:sc= 0.44 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 107 N PHE A 7 -11.130 -20.233 -4.488 1.00 0.00 N ATOM 108 CA PHE A 7 -10.364 -19.092 -4.020 1.00 0.00 C ATOM 109 C PHE A 7 -10.899 -17.822 -4.672 1.00 0.00 C ATOM 110 O PHE A 7 -11.103 -16.808 -4.003 1.00 0.00 O ATOM 111 CB PHE A 7 -8.879 -19.282 -4.353 1.00 0.00 C ATOM 112 CG PHE A 7 -8.036 -18.429 -3.431 1.00 0.00 C ATOM 113 CD1 PHE A 7 -8.031 -17.038 -3.574 1.00 0.00 C ATOM 114 CD2 PHE A 7 -7.268 -19.031 -2.426 1.00 0.00 C ATOM 115 CE1 PHE A 7 -7.254 -16.250 -2.715 1.00 0.00 C ATOM 116 CE2 PHE A 7 -6.492 -18.244 -1.568 1.00 0.00 C ATOM 117 CZ PHE A 7 -6.485 -16.855 -1.713 1.00 0.00 C ATOM 0 HA PHE A 7 -10.464 -19.006 -2.938 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -8.604 -20.331 -4.246 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -8.691 -19.007 -5.391 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -8.625 -16.572 -4.346 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -7.275 -20.105 -2.313 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -7.248 -15.176 -2.826 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.899 -18.710 -0.795 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.886 -16.247 -1.052 1.00 0.00 H new ATOM 127 N ALA A 8 -11.160 -17.893 -5.978 1.00 0.00 N ATOM 128 CA ALA A 8 -11.713 -16.746 -6.690 1.00 0.00 C ATOM 129 C ALA A 8 -13.061 -16.407 -6.090 1.00 0.00 C ATOM 130 O ALA A 8 -13.403 -15.244 -5.931 1.00 0.00 O ATOM 131 CB ALA A 8 -11.879 -17.053 -8.178 1.00 0.00 C ATOM 0 H ALA A 8 -11.000 -18.719 -6.554 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.029 -15.903 -6.591 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.293 -16.182 -8.685 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.908 -17.297 -8.610 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.554 -17.900 -8.302 1.00 0.00 H new ATOM 137 N ARG A 9 -13.827 -17.435 -5.748 1.00 0.00 N ATOM 138 CA ARG A 9 -15.138 -17.211 -5.155 1.00 0.00 C ATOM 139 C ARG A 9 -14.992 -16.484 -3.828 1.00 0.00 C ATOM 140 O ARG A 9 -15.792 -15.620 -3.497 1.00 0.00 O ATOM 141 CB ARG A 9 -15.858 -18.535 -4.901 1.00 0.00 C ATOM 142 CG ARG A 9 -16.173 -19.235 -6.230 1.00 0.00 C ATOM 143 CD ARG A 9 -16.984 -20.505 -5.958 1.00 0.00 C ATOM 144 NE ARG A 9 -18.306 -20.162 -5.449 1.00 0.00 N ATOM 145 CZ ARG A 9 -19.286 -19.796 -6.268 1.00 0.00 C ATOM 146 NH1 ARG A 9 -19.074 -19.739 -7.555 1.00 0.00 N ATOM 147 NH2 ARG A 9 -20.461 -19.494 -5.787 1.00 0.00 N1+ ATOM 0 H ARG A 9 -13.569 -18.415 -5.868 1.00 0.00 H new ATOM 0 HA ARG A 9 -15.720 -16.611 -5.855 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -15.237 -19.181 -4.280 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -16.781 -18.355 -4.350 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.734 -18.565 -6.882 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.248 -19.486 -6.750 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -17.080 -21.087 -6.875 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.460 -21.131 -5.236 1.00 0.00 H new ATOM 0 HE ARG A 9 -18.482 -20.204 -4.445 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -18.156 -19.975 -7.932 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -19.826 -19.458 -8.184 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -20.627 -19.539 -4.782 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -21.213 -19.213 -6.416 1.00 0.00 H new ATOM 161 N LEU A 10 -13.974 -16.848 -3.059 1.00 0.00 N ATOM 162 CA LEU A 10 -13.755 -16.221 -1.761 1.00 0.00 C ATOM 163 C LEU A 10 -13.278 -14.781 -1.928 1.00 0.00 C ATOM 164 O LEU A 10 -13.737 -13.879 -1.228 1.00 0.00 O ATOM 165 CB LEU A 10 -12.714 -17.035 -0.977 1.00 0.00 C ATOM 166 CG LEU A 10 -13.392 -18.033 -0.015 1.00 0.00 C ATOM 167 CD1 LEU A 10 -14.546 -18.786 -0.715 1.00 0.00 C ATOM 168 CD2 LEU A 10 -12.338 -19.033 0.478 1.00 0.00 C ATOM 0 H LEU A 10 -13.293 -17.566 -3.307 1.00 0.00 H new ATOM 0 HA LEU A 10 -14.697 -16.203 -1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -12.073 -17.576 -1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -12.072 -16.360 -0.411 1.00 0.00 H new ATOM 0 HG LEU A 10 -13.815 -17.484 0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -15.005 -19.482 -0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -15.293 -18.070 -1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -14.155 -19.338 -1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -12.803 -19.745 1.160 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.917 -19.567 -0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -11.544 -18.498 0.999 1.00 0.00 H new ATOM 180 N VAL A 11 -12.360 -14.576 -2.857 1.00 0.00 N ATOM 181 CA VAL A 11 -11.840 -13.240 -3.096 1.00 0.00 C ATOM 182 C VAL A 11 -12.969 -12.387 -3.637 1.00 0.00 C ATOM 183 O VAL A 11 -13.184 -11.257 -3.199 1.00 0.00 O ATOM 184 CB VAL A 11 -10.677 -13.276 -4.102 1.00 0.00 C ATOM 185 CG1 VAL A 11 -10.217 -11.852 -4.425 1.00 0.00 C ATOM 186 CG2 VAL A 11 -9.497 -14.056 -3.519 1.00 0.00 C ATOM 0 H VAL A 11 -11.964 -15.305 -3.450 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.458 -12.822 -2.164 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.025 -13.766 -5.011 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.393 -11.889 -5.138 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.046 -11.291 -4.857 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.884 -11.361 -3.511 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.681 -14.074 -4.241 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.160 -13.574 -2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.809 -15.077 -3.299 1.00 0.00 H new ATOM 196 N LYS A 12 -13.703 -12.960 -4.582 1.00 0.00 N ATOM 197 CA LYS A 12 -14.832 -12.276 -5.174 1.00 0.00 C ATOM 198 C LYS A 12 -15.876 -12.001 -4.117 1.00 0.00 C ATOM 199 O LYS A 12 -16.512 -10.957 -4.133 1.00 0.00 O ATOM 200 CB LYS A 12 -15.447 -13.120 -6.294 1.00 0.00 C ATOM 201 CG LYS A 12 -14.522 -13.094 -7.511 1.00 0.00 C ATOM 202 CD LYS A 12 -14.968 -14.120 -8.559 1.00 0.00 C ATOM 203 CE LYS A 12 -16.285 -13.682 -9.214 1.00 0.00 C ATOM 204 NZ LYS A 12 -16.601 -14.600 -10.344 1.00 0.00 N1+ ATOM 0 H LYS A 12 -13.533 -13.896 -4.951 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.483 -11.334 -5.596 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -15.592 -14.146 -5.955 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -16.429 -12.731 -6.561 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.521 -12.096 -7.950 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.499 -13.307 -7.200 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -14.196 -14.230 -9.320 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -15.095 -15.096 -8.090 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -17.092 -13.697 -8.481 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -16.202 -12.657 -9.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -17.029 -14.058 -11.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.727 -15.054 -10.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -17.269 -15.330 -10.022 1.00 0.00 H new ATOM 218 N GLU A 13 -16.076 -12.947 -3.209 1.00 0.00 N ATOM 219 CA GLU A 13 -17.082 -12.753 -2.179 1.00 0.00 C ATOM 220 C GLU A 13 -16.741 -11.575 -1.270 1.00 0.00 C ATOM 221 O GLU A 13 -17.582 -10.714 -1.047 1.00 0.00 O ATOM 222 CB GLU A 13 -17.219 -14.045 -1.385 1.00 0.00 C ATOM 223 CG GLU A 13 -18.066 -15.054 -2.187 1.00 0.00 C ATOM 224 CD GLU A 13 -19.543 -14.935 -1.818 1.00 0.00 C ATOM 225 OE1 GLU A 13 -19.920 -15.461 -0.783 1.00 0.00 O ATOM 226 OE2 GLU A 13 -20.274 -14.320 -2.576 1.00 0.00 O1- ATOM 0 H GLU A 13 -15.570 -13.832 -3.165 1.00 0.00 H new ATOM 0 HA GLU A 13 -18.035 -12.510 -2.650 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.234 -14.464 -1.179 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.688 -13.844 -0.422 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -17.938 -14.876 -3.255 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.717 -16.067 -1.989 1.00 0.00 H new ATOM 233 N VAL A 14 -15.506 -11.514 -0.779 1.00 0.00 N ATOM 234 CA VAL A 14 -15.095 -10.399 0.077 1.00 0.00 C ATOM 235 C VAL A 14 -15.188 -9.098 -0.695 1.00 0.00 C ATOM 236 O VAL A 14 -15.682 -8.078 -0.200 1.00 0.00 O ATOM 237 CB VAL A 14 -13.648 -10.594 0.553 1.00 0.00 C ATOM 238 CG1 VAL A 14 -13.124 -9.312 1.214 1.00 0.00 C ATOM 239 CG2 VAL A 14 -13.610 -11.720 1.577 1.00 0.00 C ATOM 0 H VAL A 14 -14.781 -12.210 -0.954 1.00 0.00 H new ATOM 0 HA VAL A 14 -15.757 -10.366 0.942 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.024 -10.836 -0.307 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.097 -9.467 1.546 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -13.153 -8.494 0.495 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.749 -9.063 2.072 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.586 -11.865 1.920 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -14.244 -11.462 2.425 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.973 -12.640 1.119 1.00 0.00 H new ATOM 249 N THR A 15 -14.687 -9.150 -1.909 1.00 0.00 N ATOM 250 CA THR A 15 -14.676 -7.993 -2.762 1.00 0.00 C ATOM 251 C THR A 15 -16.104 -7.561 -3.040 1.00 0.00 C ATOM 252 O THR A 15 -16.394 -6.377 -3.095 1.00 0.00 O ATOM 253 CB THR A 15 -13.951 -8.311 -4.073 1.00 0.00 C ATOM 254 OG1 THR A 15 -12.652 -8.805 -3.781 1.00 0.00 O ATOM 255 CG2 THR A 15 -13.812 -7.041 -4.913 1.00 0.00 C ATOM 0 H THR A 15 -14.281 -9.988 -2.325 1.00 0.00 H new ATOM 0 HA THR A 15 -14.146 -7.181 -2.265 1.00 0.00 H new ATOM 0 HB THR A 15 -14.525 -9.055 -4.625 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.666 -9.785 -3.787 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.295 -7.275 -5.844 1.00 0.00 H new ATOM 0 HG22 THR A 15 -14.802 -6.643 -5.137 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.240 -6.298 -4.357 1.00 0.00 H new ATOM 263 N ASP A 16 -16.992 -8.537 -3.217 1.00 0.00 N ATOM 264 CA ASP A 16 -18.393 -8.244 -3.491 1.00 0.00 C ATOM 265 C ASP A 16 -19.017 -7.469 -2.332 1.00 0.00 C ATOM 266 O ASP A 16 -19.833 -6.573 -2.544 1.00 0.00 O ATOM 267 CB ASP A 16 -19.174 -9.537 -3.727 1.00 0.00 C ATOM 268 CG ASP A 16 -18.792 -10.144 -5.074 1.00 0.00 C ATOM 269 OD1 ASP A 16 -18.156 -9.454 -5.854 1.00 0.00 O ATOM 270 OD2 ASP A 16 -19.143 -11.289 -5.306 1.00 0.00 O1- ATOM 0 H ASP A 16 -16.766 -9.531 -3.176 1.00 0.00 H new ATOM 0 HA ASP A 16 -18.441 -7.631 -4.391 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -18.966 -10.248 -2.927 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -20.245 -9.334 -3.702 1.00 0.00 H new ATOM 275 N GLU A 17 -18.629 -7.817 -1.107 1.00 0.00 N ATOM 276 CA GLU A 17 -19.159 -7.142 0.067 1.00 0.00 C ATOM 277 C GLU A 17 -18.792 -5.678 -0.025 1.00 0.00 C ATOM 278 O GLU A 17 -19.594 -4.796 0.272 1.00 0.00 O ATOM 279 CB GLU A 17 -18.543 -7.720 1.348 1.00 0.00 C ATOM 280 CG GLU A 17 -18.966 -9.177 1.526 1.00 0.00 C ATOM 281 CD GLU A 17 -18.601 -9.661 2.924 1.00 0.00 C ATOM 282 OE1 GLU A 17 -17.997 -8.895 3.656 1.00 0.00 O ATOM 283 OE2 GLU A 17 -18.930 -10.792 3.244 1.00 0.00 O1- ATOM 0 H GLU A 17 -17.955 -8.556 -0.906 1.00 0.00 H new ATOM 0 HA GLU A 17 -20.240 -7.278 0.103 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -17.456 -7.653 1.300 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -18.861 -7.133 2.210 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -20.040 -9.274 1.368 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.476 -9.800 0.778 1.00 0.00 H new ATOM 290 N PHE A 18 -17.568 -5.431 -0.465 1.00 0.00 N ATOM 291 CA PHE A 18 -17.101 -4.070 -0.623 1.00 0.00 C ATOM 292 C PHE A 18 -17.778 -3.452 -1.846 1.00 0.00 C ATOM 293 O PHE A 18 -18.207 -2.298 -1.827 1.00 0.00 O ATOM 294 CB PHE A 18 -15.590 -4.058 -0.835 1.00 0.00 C ATOM 295 CG PHE A 18 -14.845 -4.885 0.180 1.00 0.00 C ATOM 296 CD1 PHE A 18 -15.423 -5.310 1.394 1.00 0.00 C ATOM 297 CD2 PHE A 18 -13.530 -5.236 -0.123 1.00 0.00 C ATOM 298 CE1 PHE A 18 -14.669 -6.072 2.282 1.00 0.00 C ATOM 299 CE2 PHE A 18 -12.789 -5.995 0.765 1.00 0.00 C ATOM 300 CZ PHE A 18 -13.354 -6.409 1.965 1.00 0.00 C ATOM 0 H PHE A 18 -16.889 -6.150 -0.716 1.00 0.00 H new ATOM 0 HA PHE A 18 -17.344 -3.500 0.274 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.366 -4.432 -1.834 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.231 -3.030 -0.791 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -16.443 -5.046 1.633 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -13.088 -4.914 -1.054 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.102 -6.402 3.215 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -11.771 -6.266 0.526 1.00 0.00 H new ATOM 0 HZ PHE A 18 -12.770 -6.997 2.658 1.00 0.00 H new ATOM 310 N THR A 19 -17.865 -4.251 -2.906 1.00 0.00 N ATOM 311 CA THR A 19 -18.484 -3.832 -4.155 1.00 0.00 C ATOM 312 C THR A 19 -19.985 -3.993 -4.064 1.00 0.00 C ATOM 313 O THR A 19 -20.691 -3.904 -5.068 1.00 0.00 O ATOM 314 CB THR A 19 -17.938 -4.642 -5.342 1.00 0.00 C ATOM 315 OG1 THR A 19 -16.558 -4.905 -5.145 1.00 0.00 O ATOM 316 CG2 THR A 19 -18.124 -3.850 -6.642 1.00 0.00 C ATOM 0 H THR A 19 -17.508 -5.206 -2.921 1.00 0.00 H new ATOM 0 HA THR A 19 -18.242 -2.782 -4.321 1.00 0.00 H new ATOM 0 HB THR A 19 -18.483 -5.584 -5.412 1.00 0.00 H new ATOM 0 HG1 THR A 19 -16.454 -5.662 -4.531 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.735 -4.429 -7.480 1.00 0.00 H new ATOM 0 HG22 THR A 19 -19.184 -3.652 -6.799 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.585 -2.905 -6.573 1.00 0.00 H new ATOM 324 N THR A 20 -20.477 -4.219 -2.849 1.00 0.00 N ATOM 325 CA THR A 20 -21.913 -4.368 -2.634 1.00 0.00 C ATOM 326 C THR A 20 -22.652 -3.277 -3.404 1.00 0.00 C ATOM 327 O THR A 20 -23.856 -3.368 -3.647 1.00 0.00 O ATOM 328 CB THR A 20 -22.244 -4.287 -1.143 1.00 0.00 C ATOM 329 OG1 THR A 20 -23.647 -4.433 -0.963 1.00 0.00 O ATOM 330 CG2 THR A 20 -21.789 -2.936 -0.587 1.00 0.00 C ATOM 0 H THR A 20 -19.909 -4.302 -2.006 1.00 0.00 H new ATOM 0 HA THR A 20 -22.231 -5.345 -2.997 1.00 0.00 H new ATOM 0 HB THR A 20 -21.725 -5.085 -0.611 1.00 0.00 H new ATOM 0 HG1 THR A 20 -23.861 -4.383 -0.008 1.00 0.00 H new ATOM 0 HG21 THR A 20 -22.026 -2.881 0.475 1.00 0.00 H new ATOM 0 HG22 THR A 20 -20.713 -2.830 -0.725 1.00 0.00 H new ATOM 0 HG23 THR A 20 -22.303 -2.133 -1.115 1.00 0.00 H new ATOM 338 N LYS A 21 -21.890 -2.272 -3.830 1.00 0.00 N ATOM 339 CA LYS A 21 -22.415 -1.181 -4.626 1.00 0.00 C ATOM 340 C LYS A 21 -22.791 -1.694 -6.011 1.00 0.00 C ATOM 341 O LYS A 21 -22.836 -0.924 -6.969 1.00 0.00 O ATOM 342 CB LYS A 21 -21.358 -0.092 -4.771 1.00 0.00 C ATOM 343 CG LYS A 21 -21.177 0.618 -3.432 1.00 0.00 C ATOM 344 CD LYS A 21 -20.128 1.719 -3.578 1.00 0.00 C ATOM 345 CE LYS A 21 -20.014 2.494 -2.266 1.00 0.00 C ATOM 346 NZ LYS A 21 -19.537 1.581 -1.189 1.00 0.00 N1+ ATOM 0 H LYS A 21 -20.893 -2.197 -3.630 1.00 0.00 H new ATOM 0 HA LYS A 21 -23.296 -0.772 -4.131 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.413 -0.528 -5.095 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.659 0.623 -5.537 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -22.125 1.045 -3.103 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -20.867 -0.096 -2.669 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -19.164 1.284 -3.840 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -20.404 2.394 -4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -19.322 3.328 -2.383 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -20.981 2.918 -1.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -19.187 2.143 -0.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -20.323 0.978 -0.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -18.768 0.984 -1.555 1.00 0.00 H new ATOM 360 N ASP A 22 -23.060 -2.999 -6.111 1.00 0.00 N ATOM 361 CA ASP A 22 -23.438 -3.594 -7.384 1.00 0.00 C ATOM 362 C ASP A 22 -24.846 -3.140 -7.733 1.00 0.00 C ATOM 363 O ASP A 22 -25.690 -3.927 -8.160 1.00 0.00 O ATOM 364 CB ASP A 22 -23.392 -5.119 -7.292 1.00 0.00 C ATOM 365 CG ASP A 22 -23.587 -5.732 -8.675 1.00 0.00 C ATOM 366 OD1 ASP A 22 -23.956 -5.000 -9.577 1.00 0.00 O ATOM 367 OD2 ASP A 22 -23.365 -6.923 -8.809 1.00 0.00 O1- ATOM 0 H ASP A 22 -23.022 -3.654 -5.330 1.00 0.00 H new ATOM 0 HA ASP A 22 -22.740 -3.276 -8.158 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -22.436 -5.438 -6.876 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -24.169 -5.474 -6.615 1.00 0.00 H new ATOM 372 N GLN A 23 -25.072 -1.855 -7.526 1.00 0.00 N ATOM 373 CA GLN A 23 -26.357 -1.239 -7.789 1.00 0.00 C ATOM 374 C GLN A 23 -26.778 -1.447 -9.235 1.00 0.00 C ATOM 375 O GLN A 23 -27.964 -1.403 -9.553 1.00 0.00 O ATOM 376 CB GLN A 23 -26.261 0.261 -7.467 1.00 0.00 C ATOM 377 CG GLN A 23 -25.109 0.925 -8.282 1.00 0.00 C ATOM 378 CD GLN A 23 -24.164 1.713 -7.367 1.00 0.00 C ATOM 379 OE1 GLN A 23 -22.875 1.462 -7.391 1.00 0.00 O flip ATOM 380 NE2 GLN A 23 -24.609 2.577 -6.611 1.00 0.00 N flip ATOM 0 H GLN A 23 -24.367 -1.209 -7.170 1.00 0.00 H new ATOM 0 HA GLN A 23 -27.114 -1.705 -7.158 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -27.207 0.750 -7.700 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -26.085 0.399 -6.400 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -24.547 0.157 -8.814 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -25.530 1.592 -9.035 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -25.610 2.772 -6.592 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -23.977 3.098 -6.003 1.00 0.00 H new ATOM 389 N ASP A 24 -25.802 -1.682 -10.098 1.00 0.00 N ATOM 390 CA ASP A 24 -26.075 -1.905 -11.506 1.00 0.00 C ATOM 391 C ASP A 24 -24.799 -2.351 -12.210 1.00 0.00 C ATOM 392 O ASP A 24 -24.794 -2.582 -13.418 1.00 0.00 O ATOM 393 CB ASP A 24 -26.604 -0.611 -12.146 1.00 0.00 C ATOM 394 CG ASP A 24 -28.124 -0.491 -11.998 1.00 0.00 C ATOM 395 OD1 ASP A 24 -28.769 -1.496 -11.743 1.00 0.00 O ATOM 396 OD2 ASP A 24 -28.622 0.614 -12.147 1.00 0.00 O1- ATOM 0 H ASP A 24 -24.814 -1.723 -9.847 1.00 0.00 H new ATOM 0 HA ASP A 24 -26.830 -2.684 -11.608 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -26.123 0.249 -11.680 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -26.338 -0.592 -13.203 1.00 0.00 H new ATOM 401 N LEU A 25 -23.724 -2.459 -11.444 1.00 0.00 N ATOM 402 CA LEU A 25 -22.440 -2.865 -12.012 1.00 0.00 C ATOM 403 C LEU A 25 -22.500 -4.281 -12.547 1.00 0.00 C ATOM 404 O LEU A 25 -23.440 -5.033 -12.290 1.00 0.00 O ATOM 405 CB LEU A 25 -21.313 -2.760 -10.978 1.00 0.00 C ATOM 406 CG LEU A 25 -20.722 -1.349 -10.947 1.00 0.00 C ATOM 407 CD1 LEU A 25 -21.808 -0.349 -10.553 1.00 0.00 C ATOM 408 CD2 LEU A 25 -19.588 -1.295 -9.915 1.00 0.00 C ATOM 0 H LEU A 25 -23.710 -2.275 -10.441 1.00 0.00 H new ATOM 0 HA LEU A 25 -22.228 -2.183 -12.835 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -21.696 -3.019 -9.991 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -20.530 -3.480 -11.215 1.00 0.00 H new ATOM 0 HG LEU A 25 -20.334 -1.097 -11.934 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -21.387 0.656 -10.531 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -22.619 -0.387 -11.281 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -22.195 -0.602 -9.566 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -19.165 -0.291 -9.891 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -19.980 -1.547 -8.930 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -18.812 -2.009 -10.190 1.00 0.00 H new ATOM 420 N ARG A 26 -21.469 -4.614 -13.305 1.00 0.00 N ATOM 421 CA ARG A 26 -21.347 -5.929 -13.921 1.00 0.00 C ATOM 422 C ARG A 26 -19.905 -6.421 -13.862 1.00 0.00 C ATOM 423 O ARG A 26 -18.968 -5.673 -14.123 1.00 0.00 O ATOM 424 CB ARG A 26 -21.801 -5.848 -15.369 1.00 0.00 C ATOM 425 CG ARG A 26 -21.838 -7.251 -15.964 1.00 0.00 C ATOM 426 CD ARG A 26 -22.284 -7.167 -17.419 1.00 0.00 C ATOM 427 NE ARG A 26 -23.642 -6.643 -17.502 1.00 0.00 N ATOM 428 CZ ARG A 26 -24.697 -7.431 -17.321 1.00 0.00 C ATOM 429 NH1 ARG A 26 -24.527 -8.699 -17.063 1.00 0.00 N ATOM 430 NH2 ARG A 26 -25.902 -6.937 -17.402 1.00 0.00 N1+ ATOM 0 H ARG A 26 -20.694 -3.984 -13.512 1.00 0.00 H new ATOM 0 HA ARG A 26 -21.974 -6.633 -13.374 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -22.788 -5.389 -15.428 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -21.121 -5.216 -15.941 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -20.853 -7.712 -15.899 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -22.523 -7.881 -15.397 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -21.604 -6.524 -17.978 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -22.239 -8.155 -17.878 1.00 0.00 H new ATOM 0 HE ARG A 26 -23.785 -5.653 -17.703 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -23.585 -9.085 -17.000 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -25.336 -9.304 -16.924 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -26.034 -5.946 -17.604 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -26.712 -7.542 -17.263 1.00 0.00 H new ATOM 444 N TRP A 27 -19.731 -7.686 -13.512 1.00 0.00 N ATOM 445 CA TRP A 27 -18.388 -8.268 -13.421 1.00 0.00 C ATOM 446 C TRP A 27 -18.029 -9.055 -14.677 1.00 0.00 C ATOM 447 O TRP A 27 -18.611 -10.103 -14.959 1.00 0.00 O ATOM 448 CB TRP A 27 -18.299 -9.216 -12.217 1.00 0.00 C ATOM 449 CG TRP A 27 -18.130 -8.456 -10.946 1.00 0.00 C ATOM 450 CD1 TRP A 27 -18.954 -7.494 -10.482 1.00 0.00 C ATOM 451 CD2 TRP A 27 -17.079 -8.606 -9.962 1.00 0.00 C ATOM 452 NE1 TRP A 27 -18.486 -7.063 -9.252 1.00 0.00 N ATOM 453 CE2 TRP A 27 -17.327 -7.720 -8.892 1.00 0.00 C ATOM 454 CE3 TRP A 27 -15.947 -9.429 -9.901 1.00 0.00 C ATOM 455 CZ2 TRP A 27 -16.478 -7.659 -7.789 1.00 0.00 C ATOM 456 CZ3 TRP A 27 -15.087 -9.367 -8.799 1.00 0.00 C ATOM 457 CH2 TRP A 27 -15.354 -8.488 -7.744 1.00 0.00 C ATOM 0 H TRP A 27 -20.490 -8.329 -13.287 1.00 0.00 H new ATOM 0 HA TRP A 27 -17.688 -7.440 -13.307 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -19.201 -9.825 -12.163 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -17.460 -9.899 -12.350 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -19.833 -7.122 -10.986 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -18.941 -6.349 -8.683 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -15.737 -10.115 -10.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -16.686 -6.978 -6.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -14.213 -10.001 -8.763 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -14.690 -8.450 -6.893 1.00 0.00 H new ATOM 468 N GLN A 28 -17.036 -8.561 -15.399 1.00 0.00 N ATOM 469 CA GLN A 28 -16.556 -9.233 -16.596 1.00 0.00 C ATOM 470 C GLN A 28 -15.548 -10.300 -16.189 1.00 0.00 C ATOM 471 O GLN A 28 -15.002 -10.249 -15.088 1.00 0.00 O ATOM 472 CB GLN A 28 -15.872 -8.217 -17.504 1.00 0.00 C ATOM 473 CG GLN A 28 -16.783 -7.005 -17.648 1.00 0.00 C ATOM 474 CD GLN A 28 -18.135 -7.433 -18.182 1.00 0.00 C ATOM 475 OE1 GLN A 28 -19.197 -7.141 -17.504 1.00 0.00 O flip ATOM 476 NE2 GLN A 28 -18.222 -8.055 -19.241 1.00 0.00 N flip ATOM 0 H GLN A 28 -16.546 -7.695 -15.176 1.00 0.00 H new ATOM 0 HA GLN A 28 -17.391 -9.691 -17.126 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.911 -7.920 -17.084 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.671 -8.657 -18.481 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -16.903 -6.513 -16.683 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -16.330 -6.278 -18.322 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -17.380 -8.282 -19.770 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -19.136 -8.344 -19.589 1.00 0.00 H new ATOM 485 N SER A 29 -15.287 -11.255 -17.067 1.00 0.00 N ATOM 486 CA SER A 29 -14.321 -12.293 -16.744 1.00 0.00 C ATOM 487 C SER A 29 -12.964 -11.646 -16.506 1.00 0.00 C ATOM 488 O SER A 29 -12.099 -12.212 -15.838 1.00 0.00 O ATOM 489 CB SER A 29 -14.226 -13.307 -17.883 1.00 0.00 C ATOM 490 OG SER A 29 -13.736 -12.658 -19.049 1.00 0.00 O ATOM 0 H SER A 29 -15.719 -11.334 -17.988 1.00 0.00 H new ATOM 0 HA SER A 29 -14.642 -12.820 -15.845 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.563 -14.125 -17.602 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.205 -13.743 -18.080 1.00 0.00 H new ATOM 0 HG SER A 29 -13.672 -13.306 -19.782 1.00 0.00 H new ATOM 496 N MET A 30 -12.798 -10.442 -17.047 1.00 0.00 N ATOM 497 CA MET A 30 -11.552 -9.701 -16.878 1.00 0.00 C ATOM 498 C MET A 30 -11.421 -9.297 -15.418 1.00 0.00 C ATOM 499 O MET A 30 -10.337 -9.301 -14.851 1.00 0.00 O ATOM 500 CB MET A 30 -11.544 -8.439 -17.750 1.00 0.00 C ATOM 501 CG MET A 30 -11.688 -8.819 -19.224 1.00 0.00 C ATOM 502 SD MET A 30 -10.309 -9.880 -19.737 1.00 0.00 S ATOM 503 CE MET A 30 -8.991 -8.645 -19.607 1.00 0.00 C ATOM 0 H MET A 30 -13.506 -9.961 -17.603 1.00 0.00 H new ATOM 0 HA MET A 30 -10.719 -10.336 -17.180 1.00 0.00 H new ATOM 0 HB2 MET A 30 -12.359 -7.778 -17.455 1.00 0.00 H new ATOM 0 HB3 MET A 30 -10.616 -7.888 -17.597 1.00 0.00 H new ATOM 0 HG2 MET A 30 -12.634 -9.338 -19.382 1.00 0.00 H new ATOM 0 HG3 MET A 30 -11.711 -7.919 -19.838 1.00 0.00 H new ATOM 0 HE1 MET A 30 -8.281 -8.783 -20.423 1.00 0.00 H new ATOM 0 HE2 MET A 30 -9.422 -7.646 -19.666 1.00 0.00 H new ATOM 0 HE3 MET A 30 -8.476 -8.762 -18.654 1.00 0.00 H new ATOM 513 N ALA A 31 -12.546 -8.962 -14.812 1.00 0.00 N ATOM 514 CA ALA A 31 -12.547 -8.560 -13.417 1.00 0.00 C ATOM 515 C ALA A 31 -11.863 -9.641 -12.591 1.00 0.00 C ATOM 516 O ALA A 31 -11.041 -9.349 -11.727 1.00 0.00 O ATOM 517 CB ALA A 31 -13.986 -8.379 -12.951 1.00 0.00 C ATOM 0 H ALA A 31 -13.463 -8.960 -15.259 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.011 -7.619 -13.295 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -13.994 -8.077 -11.904 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.470 -7.611 -13.554 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.525 -9.320 -13.061 1.00 0.00 H new ATOM 523 N ILE A 32 -12.192 -10.889 -12.900 1.00 0.00 N ATOM 524 CA ILE A 32 -11.612 -12.041 -12.224 1.00 0.00 C ATOM 525 C ILE A 32 -10.128 -12.153 -12.554 1.00 0.00 C ATOM 526 O ILE A 32 -9.307 -12.454 -11.691 1.00 0.00 O ATOM 527 CB ILE A 32 -12.343 -13.292 -12.679 1.00 0.00 C ATOM 528 CG1 ILE A 32 -13.825 -13.117 -12.340 1.00 0.00 C ATOM 529 CG2 ILE A 32 -11.780 -14.517 -11.953 1.00 0.00 C ATOM 530 CD1 ILE A 32 -14.643 -14.313 -12.838 1.00 0.00 C ATOM 0 H ILE A 32 -12.867 -11.130 -13.625 1.00 0.00 H new ATOM 0 HA ILE A 32 -11.715 -11.924 -11.145 1.00 0.00 H new ATOM 0 HB ILE A 32 -12.214 -13.441 -13.751 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -13.946 -13.012 -11.262 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -14.200 -12.200 -12.794 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.309 -15.411 -12.284 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.719 -14.618 -12.180 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -11.911 -14.395 -10.878 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -15.693 -14.166 -12.586 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -14.539 -14.400 -13.919 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -14.280 -15.225 -12.364 1.00 0.00 H new ATOM 542 N MET A 33 -9.788 -11.887 -13.806 1.00 0.00 N ATOM 543 CA MET A 33 -8.397 -11.936 -14.219 1.00 0.00 C ATOM 544 C MET A 33 -7.637 -10.921 -13.383 1.00 0.00 C ATOM 545 O MET A 33 -6.502 -11.146 -12.970 1.00 0.00 O ATOM 546 CB MET A 33 -8.272 -11.590 -15.708 1.00 0.00 C ATOM 547 CG MET A 33 -8.870 -12.714 -16.559 1.00 0.00 C ATOM 548 SD MET A 33 -7.893 -14.230 -16.360 1.00 0.00 S ATOM 549 CE MET A 33 -6.413 -13.696 -17.259 1.00 0.00 C ATOM 0 H MET A 33 -10.447 -11.638 -14.544 1.00 0.00 H new ATOM 0 HA MET A 33 -7.991 -12.937 -14.072 1.00 0.00 H new ATOM 0 HB2 MET A 33 -8.787 -10.652 -15.916 1.00 0.00 H new ATOM 0 HB3 MET A 33 -7.224 -11.443 -15.969 1.00 0.00 H new ATOM 0 HG2 MET A 33 -9.903 -12.896 -16.262 1.00 0.00 H new ATOM 0 HG3 MET A 33 -8.887 -12.418 -17.608 1.00 0.00 H new ATOM 0 HE1 MET A 33 -6.147 -14.449 -18.001 1.00 0.00 H new ATOM 0 HE2 MET A 33 -6.613 -12.748 -17.759 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.588 -13.569 -16.558 1.00 0.00 H new ATOM 559 N ALA A 34 -8.306 -9.808 -13.125 1.00 0.00 N ATOM 560 CA ALA A 34 -7.743 -8.741 -12.324 1.00 0.00 C ATOM 561 C ALA A 34 -7.429 -9.253 -10.923 1.00 0.00 C ATOM 562 O ALA A 34 -6.412 -8.888 -10.342 1.00 0.00 O ATOM 563 CB ALA A 34 -8.738 -7.566 -12.264 1.00 0.00 C ATOM 0 H ALA A 34 -9.250 -9.623 -13.465 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.815 -8.394 -12.778 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.316 -6.762 -11.661 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.931 -7.201 -13.273 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.672 -7.903 -11.815 1.00 0.00 H new ATOM 569 N LEU A 35 -8.302 -10.098 -10.383 1.00 0.00 N ATOM 570 CA LEU A 35 -8.071 -10.636 -9.057 1.00 0.00 C ATOM 571 C LEU A 35 -6.797 -11.472 -9.065 1.00 0.00 C ATOM 572 O LEU A 35 -6.011 -11.439 -8.119 1.00 0.00 O ATOM 573 CB LEU A 35 -9.266 -11.504 -8.615 1.00 0.00 C ATOM 574 CG LEU A 35 -10.371 -10.651 -7.958 1.00 0.00 C ATOM 575 CD1 LEU A 35 -10.958 -9.636 -8.939 1.00 0.00 C ATOM 576 CD2 LEU A 35 -11.503 -11.563 -7.482 1.00 0.00 C ATOM 0 H LEU A 35 -9.158 -10.417 -10.836 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.961 -9.812 -8.352 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.675 -12.029 -9.478 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.925 -12.264 -7.912 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.921 -10.115 -7.123 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.733 -9.054 -8.440 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.170 -8.968 -9.287 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.390 -10.161 -9.791 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.284 -10.961 -7.018 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.918 -12.102 -8.333 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.114 -12.276 -6.755 1.00 0.00 H new ATOM 588 N GLN A 36 -6.609 -12.225 -10.142 1.00 0.00 N ATOM 589 CA GLN A 36 -5.441 -13.070 -10.269 1.00 0.00 C ATOM 590 C GLN A 36 -4.192 -12.211 -10.374 1.00 0.00 C ATOM 591 O GLN A 36 -3.162 -12.506 -9.769 1.00 0.00 O ATOM 592 CB GLN A 36 -5.590 -13.922 -11.520 1.00 0.00 C ATOM 593 CG GLN A 36 -6.780 -14.854 -11.338 1.00 0.00 C ATOM 594 CD GLN A 36 -6.457 -15.912 -10.291 1.00 0.00 C ATOM 595 OE1 GLN A 36 -5.513 -16.684 -10.452 1.00 0.00 O ATOM 596 NE2 GLN A 36 -7.189 -15.986 -9.218 1.00 0.00 N ATOM 0 H GLN A 36 -7.251 -12.264 -10.934 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.350 -13.712 -9.393 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.737 -13.287 -12.394 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.682 -14.499 -11.695 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.656 -14.283 -11.032 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.027 -15.332 -12.286 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.971 -15.344 -9.089 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.981 -16.686 -8.506 1.00 0.00 H new ATOM 605 N GLU A 37 -4.312 -11.134 -11.135 1.00 0.00 N ATOM 606 CA GLU A 37 -3.211 -10.206 -11.310 1.00 0.00 C ATOM 607 C GLU A 37 -2.908 -9.507 -10.000 1.00 0.00 C ATOM 608 O GLU A 37 -1.763 -9.221 -9.687 1.00 0.00 O ATOM 609 CB GLU A 37 -3.571 -9.162 -12.359 1.00 0.00 C ATOM 610 CG GLU A 37 -3.670 -9.824 -13.736 1.00 0.00 C ATOM 611 CD GLU A 37 -2.289 -10.266 -14.202 1.00 0.00 C ATOM 612 OE1 GLU A 37 -1.315 -9.758 -13.670 1.00 0.00 O ATOM 613 OE2 GLU A 37 -2.222 -11.108 -15.083 1.00 0.00 O1- ATOM 0 H GLU A 37 -5.162 -10.883 -11.640 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.334 -10.765 -11.637 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.519 -8.689 -12.104 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.817 -8.376 -12.377 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.339 -10.683 -13.688 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.099 -9.126 -14.454 1.00 0.00 H new ATOM 620 N ALA A 38 -3.956 -9.201 -9.254 1.00 0.00 N ATOM 621 CA ALA A 38 -3.791 -8.499 -7.987 1.00 0.00 C ATOM 622 C ALA A 38 -2.984 -9.309 -6.987 1.00 0.00 C ATOM 623 O ALA A 38 -2.095 -8.776 -6.322 1.00 0.00 O ATOM 624 CB ALA A 38 -5.160 -8.185 -7.393 1.00 0.00 C ATOM 0 H ALA A 38 -4.921 -9.423 -9.498 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.245 -7.578 -8.191 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.034 -7.660 -6.446 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.721 -7.556 -8.084 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.705 -9.114 -7.224 1.00 0.00 H new ATOM 630 N SER A 39 -3.299 -10.588 -6.863 1.00 0.00 N ATOM 631 CA SER A 39 -2.588 -11.426 -5.913 1.00 0.00 C ATOM 632 C SER A 39 -1.147 -11.669 -6.346 1.00 0.00 C ATOM 633 O SER A 39 -0.230 -11.629 -5.525 1.00 0.00 O ATOM 634 CB SER A 39 -3.309 -12.765 -5.750 1.00 0.00 C ATOM 635 OG SER A 39 -4.587 -12.541 -5.170 1.00 0.00 O ATOM 0 H SER A 39 -4.028 -11.061 -7.397 1.00 0.00 H new ATOM 0 HA SER A 39 -2.570 -10.900 -4.958 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.417 -13.254 -6.718 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.722 -13.433 -5.119 1.00 0.00 H new ATOM 0 HG SER A 39 -5.053 -13.397 -5.065 1.00 0.00 H new ATOM 641 N GLU A 40 -0.946 -11.931 -7.630 1.00 0.00 N ATOM 642 CA GLU A 40 0.396 -12.192 -8.132 1.00 0.00 C ATOM 643 C GLU A 40 1.206 -10.899 -8.206 1.00 0.00 C ATOM 644 O GLU A 40 2.418 -10.901 -8.008 1.00 0.00 O ATOM 645 CB GLU A 40 0.312 -12.872 -9.515 1.00 0.00 C ATOM 646 CG GLU A 40 0.196 -11.828 -10.642 1.00 0.00 C ATOM 647 CD GLU A 40 1.576 -11.295 -11.032 1.00 0.00 C ATOM 648 OE1 GLU A 40 2.550 -11.995 -10.814 1.00 0.00 O ATOM 649 OE2 GLU A 40 1.635 -10.190 -11.545 1.00 0.00 O1- ATOM 0 H GLU A 40 -1.683 -11.968 -8.334 1.00 0.00 H new ATOM 0 HA GLU A 40 0.908 -12.864 -7.443 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.197 -13.487 -9.675 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.549 -13.539 -9.544 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.285 -12.276 -11.511 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.439 -11.004 -10.317 1.00 0.00 H new ATOM 656 N ALA A 41 0.523 -9.802 -8.500 1.00 0.00 N ATOM 657 CA ALA A 41 1.179 -8.511 -8.611 1.00 0.00 C ATOM 658 C ALA A 41 1.621 -8.022 -7.249 1.00 0.00 C ATOM 659 O ALA A 41 2.715 -7.481 -7.091 1.00 0.00 O ATOM 660 CB ALA A 41 0.239 -7.482 -9.247 1.00 0.00 C ATOM 0 H ALA A 41 -0.483 -9.782 -8.665 1.00 0.00 H new ATOM 0 HA ALA A 41 2.056 -8.631 -9.248 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.748 -6.521 -9.322 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.049 -7.819 -10.243 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.653 -7.373 -8.629 1.00 0.00 H new ATOM 1214 N ALA A 75 -5.820 -7.976 4.983 1.00 0.00 N ATOM 1215 CA ALA A 75 -6.271 -6.634 5.300 1.00 0.00 C ATOM 1216 C ALA A 75 -5.670 -5.601 4.354 1.00 0.00 C ATOM 1217 O ALA A 75 -6.264 -4.548 4.118 1.00 0.00 O ATOM 1218 CB ALA A 75 -5.929 -6.268 6.741 1.00 0.00 C ATOM 0 HA ALA A 75 -7.354 -6.625 5.177 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.278 -5.257 6.952 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.415 -6.969 7.420 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.849 -6.316 6.882 1.00 0.00 H new ATOM 1224 N VAL A 76 -4.490 -5.890 3.809 1.00 0.00 N ATOM 1225 CA VAL A 76 -3.859 -4.954 2.895 1.00 0.00 C ATOM 1226 C VAL A 76 -4.484 -5.136 1.524 1.00 0.00 C ATOM 1227 O VAL A 76 -4.666 -4.176 0.777 1.00 0.00 O ATOM 1228 CB VAL A 76 -2.321 -5.153 2.885 1.00 0.00 C ATOM 1229 CG1 VAL A 76 -1.871 -6.119 1.777 1.00 0.00 C ATOM 1230 CG2 VAL A 76 -1.631 -3.798 2.687 1.00 0.00 C ATOM 0 H VAL A 76 -3.965 -6.747 3.982 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.026 -3.926 3.218 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.038 -5.589 3.843 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.787 -6.228 1.808 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.338 -7.092 1.931 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.168 -5.723 0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.550 -3.938 2.680 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.947 -3.364 1.738 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.905 -3.128 3.502 1.00 0.00 H new ATOM 1240 N LEU A 77 -4.875 -6.376 1.226 1.00 0.00 N ATOM 1241 CA LEU A 77 -5.550 -6.640 -0.036 1.00 0.00 C ATOM 1242 C LEU A 77 -6.915 -6.001 0.018 1.00 0.00 C ATOM 1243 O LEU A 77 -7.406 -5.464 -0.964 1.00 0.00 O ATOM 1244 CB LEU A 77 -5.698 -8.129 -0.319 1.00 0.00 C ATOM 1245 CG LEU A 77 -4.347 -8.742 -0.716 1.00 0.00 C ATOM 1246 CD1 LEU A 77 -4.523 -10.253 -0.855 1.00 0.00 C ATOM 1247 CD2 LEU A 77 -3.860 -8.157 -2.064 1.00 0.00 C ATOM 0 H LEU A 77 -4.739 -7.190 1.825 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.946 -6.222 -0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.087 -8.635 0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.422 -8.282 -1.119 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.606 -8.511 0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.572 -10.706 -1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.855 -10.670 0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.267 -10.463 -1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.901 -8.603 -2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.591 -8.378 -2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.744 -7.077 -1.971 1.00 0.00 H new ATOM 1259 N LYS A 78 -7.506 -6.054 1.196 1.00 0.00 N ATOM 1260 CA LYS A 78 -8.792 -5.469 1.426 1.00 0.00 C ATOM 1261 C LYS A 78 -8.733 -3.992 1.097 1.00 0.00 C ATOM 1262 O LYS A 78 -9.610 -3.457 0.425 1.00 0.00 O ATOM 1263 CB LYS A 78 -9.152 -5.694 2.889 1.00 0.00 C ATOM 1264 CG LYS A 78 -10.370 -4.887 3.256 1.00 0.00 C ATOM 1265 CD LYS A 78 -10.889 -5.336 4.618 1.00 0.00 C ATOM 1266 CE LYS A 78 -12.032 -4.423 5.030 1.00 0.00 C ATOM 1267 NZ LYS A 78 -12.574 -4.861 6.347 1.00 0.00 N1+ ATOM 0 H LYS A 78 -7.099 -6.507 2.015 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.554 -5.924 0.793 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.342 -6.753 3.066 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.314 -5.410 3.525 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.122 -3.826 3.282 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.145 -5.015 2.500 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.230 -6.370 4.570 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.090 -5.298 5.358 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.682 -3.393 5.094 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.819 -4.446 4.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.356 -4.235 6.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.923 -5.838 6.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.822 -4.817 7.064 1.00 0.00 H new ATOM 1281 N SER A 79 -7.670 -3.349 1.541 1.00 0.00 N ATOM 1282 CA SER A 79 -7.483 -1.940 1.250 1.00 0.00 C ATOM 1283 C SER A 79 -7.408 -1.737 -0.256 1.00 0.00 C ATOM 1284 O SER A 79 -8.046 -0.842 -0.808 1.00 0.00 O ATOM 1285 CB SER A 79 -6.209 -1.446 1.920 1.00 0.00 C ATOM 1286 OG SER A 79 -5.902 -0.140 1.455 1.00 0.00 O ATOM 0 H SER A 79 -6.929 -3.774 2.099 1.00 0.00 H new ATOM 0 HA SER A 79 -8.326 -1.369 1.638 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.335 -1.437 3.003 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.384 -2.124 1.701 1.00 0.00 H new ATOM 0 HG SER A 79 -5.082 0.177 1.888 1.00 0.00 H new ATOM 1292 N PHE A 80 -6.638 -2.595 -0.914 1.00 0.00 N ATOM 1293 CA PHE A 80 -6.499 -2.530 -2.354 1.00 0.00 C ATOM 1294 C PHE A 80 -7.853 -2.745 -3.029 1.00 0.00 C ATOM 1295 O PHE A 80 -8.265 -1.949 -3.861 1.00 0.00 O ATOM 1296 CB PHE A 80 -5.501 -3.605 -2.808 1.00 0.00 C ATOM 1297 CG PHE A 80 -5.651 -3.850 -4.288 1.00 0.00 C ATOM 1298 CD1 PHE A 80 -5.288 -2.855 -5.191 1.00 0.00 C ATOM 1299 CD2 PHE A 80 -6.187 -5.061 -4.749 1.00 0.00 C ATOM 1300 CE1 PHE A 80 -5.455 -3.059 -6.558 1.00 0.00 C ATOM 1301 CE2 PHE A 80 -6.351 -5.270 -6.118 1.00 0.00 C ATOM 1302 CZ PHE A 80 -5.989 -4.269 -7.027 1.00 0.00 C ATOM 0 H PHE A 80 -6.103 -3.341 -0.469 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.130 -1.545 -2.640 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.483 -3.286 -2.584 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.674 -4.530 -2.258 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -4.876 -1.924 -4.831 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.472 -5.830 -4.046 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -5.174 -2.286 -7.258 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.757 -6.204 -6.477 1.00 0.00 H new ATOM 0 HZ PHE A 80 -6.120 -4.428 -8.087 1.00 0.00 H new ATOM 1312 N LEU A 81 -8.532 -3.822 -2.669 1.00 0.00 N ATOM 1313 CA LEU A 81 -9.823 -4.115 -3.270 1.00 0.00 C ATOM 1314 C LEU A 81 -10.799 -2.973 -3.006 1.00 0.00 C ATOM 1315 O LEU A 81 -11.478 -2.517 -3.911 1.00 0.00 O ATOM 1316 CB LEU A 81 -10.411 -5.392 -2.664 1.00 0.00 C ATOM 1317 CG LEU A 81 -9.604 -6.629 -3.095 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -10.111 -7.846 -2.303 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -9.760 -6.889 -4.609 1.00 0.00 C ATOM 0 H LEU A 81 -8.217 -4.499 -1.974 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.675 -4.242 -4.342 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.413 -5.315 -1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.449 -5.503 -2.978 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.547 -6.457 -2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.548 -8.732 -2.597 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.975 -7.668 -1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.169 -8.002 -2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.180 -7.769 -4.889 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.811 -7.058 -4.843 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.399 -6.024 -5.166 1.00 0.00 H new ATOM 1331 N GLU A 82 -10.857 -2.510 -1.765 1.00 0.00 N ATOM 1332 CA GLU A 82 -11.764 -1.424 -1.406 1.00 0.00 C ATOM 1333 C GLU A 82 -11.472 -0.176 -2.224 1.00 0.00 C ATOM 1334 O GLU A 82 -12.372 0.422 -2.807 1.00 0.00 O ATOM 1335 CB GLU A 82 -11.577 -1.107 0.075 1.00 0.00 C ATOM 1336 CG GLU A 82 -12.152 -2.245 0.925 1.00 0.00 C ATOM 1337 CD GLU A 82 -13.664 -2.092 1.064 1.00 0.00 C ATOM 1338 OE1 GLU A 82 -14.205 -1.171 0.475 1.00 0.00 O ATOM 1339 OE2 GLU A 82 -14.258 -2.893 1.765 1.00 0.00 O1- ATOM 0 H GLU A 82 -10.292 -2.865 -0.994 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.788 -1.735 -1.610 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.518 -0.974 0.297 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -12.075 -0.169 0.321 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.918 -3.205 0.465 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.687 -2.242 1.911 1.00 0.00 H new ATOM 1346 N SER A 83 -10.207 0.195 -2.275 1.00 0.00 N ATOM 1347 CA SER A 83 -9.791 1.363 -3.040 1.00 0.00 C ATOM 1348 C SER A 83 -10.059 1.159 -4.518 1.00 0.00 C ATOM 1349 O SER A 83 -10.418 2.093 -5.231 1.00 0.00 O ATOM 1350 CB SER A 83 -8.306 1.630 -2.831 1.00 0.00 C ATOM 1351 OG SER A 83 -7.925 2.778 -3.579 1.00 0.00 O ATOM 0 H SER A 83 -9.448 -0.292 -1.798 1.00 0.00 H new ATOM 0 HA SER A 83 -10.367 2.219 -2.688 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.098 1.786 -1.772 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.721 0.766 -3.146 1.00 0.00 H new ATOM 0 HG SER A 83 -6.970 2.953 -3.445 1.00 0.00 H new ATOM 1357 N VAL A 84 -9.853 -0.064 -4.978 1.00 0.00 N ATOM 1358 CA VAL A 84 -10.043 -0.378 -6.378 1.00 0.00 C ATOM 1359 C VAL A 84 -11.472 -0.090 -6.788 1.00 0.00 C ATOM 1360 O VAL A 84 -11.720 0.455 -7.851 1.00 0.00 O ATOM 1361 CB VAL A 84 -9.703 -1.851 -6.637 1.00 0.00 C ATOM 1362 CG1 VAL A 84 -10.158 -2.253 -8.049 1.00 0.00 C ATOM 1363 CG2 VAL A 84 -8.174 -2.069 -6.502 1.00 0.00 C ATOM 0 H VAL A 84 -9.555 -0.851 -4.402 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.377 0.246 -6.973 1.00 0.00 H new ATOM 0 HB VAL A 84 -10.221 -2.469 -5.904 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.913 -3.300 -8.226 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.235 -2.112 -8.138 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -9.649 -1.632 -8.786 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -7.938 -3.117 -6.687 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -7.652 -1.446 -7.228 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -7.855 -1.798 -5.496 1.00 0.00 H new ATOM 1373 N ILE A 85 -12.398 -0.469 -5.935 1.00 0.00 N ATOM 1374 CA ILE A 85 -13.802 -0.254 -6.197 1.00 0.00 C ATOM 1375 C ILE A 85 -14.085 1.225 -6.234 1.00 0.00 C ATOM 1376 O ILE A 85 -14.808 1.711 -7.097 1.00 0.00 O ATOM 1377 CB ILE A 85 -14.602 -0.896 -5.087 1.00 0.00 C ATOM 1378 CG1 ILE A 85 -14.339 -2.398 -5.147 1.00 0.00 C ATOM 1379 CG2 ILE A 85 -16.105 -0.607 -5.274 1.00 0.00 C ATOM 1380 CD1 ILE A 85 -14.933 -3.094 -3.928 1.00 0.00 C ATOM 0 H ILE A 85 -12.200 -0.931 -5.047 1.00 0.00 H new ATOM 0 HA ILE A 85 -14.076 -0.693 -7.156 1.00 0.00 H new ATOM 0 HB ILE A 85 -14.306 -0.493 -4.118 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -14.773 -2.813 -6.057 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -13.266 -2.584 -5.192 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -16.669 -1.076 -4.467 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -16.273 0.470 -5.257 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -16.437 -1.011 -6.231 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -14.736 -4.164 -3.988 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -14.479 -2.692 -3.022 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -16.009 -2.924 -3.901 1.00 0.00 H new ATOM 1392 N ARG A 86 -13.508 1.942 -5.283 1.00 0.00 N ATOM 1393 CA ARG A 86 -13.712 3.361 -5.224 1.00 0.00 C ATOM 1394 C ARG A 86 -13.172 4.007 -6.484 1.00 0.00 C ATOM 1395 O ARG A 86 -13.779 4.922 -7.035 1.00 0.00 O ATOM 1396 CB ARG A 86 -13.007 3.913 -3.989 1.00 0.00 C ATOM 1397 CG ARG A 86 -13.745 3.430 -2.742 1.00 0.00 C ATOM 1398 CD ARG A 86 -13.122 4.063 -1.495 1.00 0.00 C ATOM 1399 NE ARG A 86 -13.808 3.598 -0.296 1.00 0.00 N ATOM 1400 CZ ARG A 86 -13.461 4.039 0.908 1.00 0.00 C ATOM 1401 NH1 ARG A 86 -12.490 4.900 1.034 1.00 0.00 N ATOM 1402 NH2 ARG A 86 -14.090 3.607 1.966 1.00 0.00 N1+ ATOM 0 H ARG A 86 -12.904 1.561 -4.555 1.00 0.00 H new ATOM 0 HA ARG A 86 -14.777 3.584 -5.154 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -11.970 3.579 -3.966 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.991 5.002 -4.019 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -14.800 3.695 -2.807 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.692 2.343 -2.675 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.064 3.808 -1.439 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.185 5.149 -1.560 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.567 2.923 -0.383 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.996 5.236 0.207 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.225 5.238 1.959 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -14.848 2.931 1.868 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.824 3.945 2.891 1.00 0.00 H new ATOM 1416 N ASP A 87 -12.036 3.510 -6.941 1.00 0.00 N ATOM 1417 CA ASP A 87 -11.420 4.029 -8.146 1.00 0.00 C ATOM 1418 C ASP A 87 -12.148 3.555 -9.396 1.00 0.00 C ATOM 1419 O ASP A 87 -12.214 4.251 -10.405 1.00 0.00 O ATOM 1420 CB ASP A 87 -9.966 3.563 -8.200 1.00 0.00 C ATOM 1421 CG ASP A 87 -9.143 4.289 -7.142 1.00 0.00 C ATOM 1422 OD1 ASP A 87 -9.634 5.271 -6.610 1.00 0.00 O ATOM 1423 OD2 ASP A 87 -8.036 3.851 -6.877 1.00 0.00 O1- ATOM 0 H ASP A 87 -11.523 2.749 -6.496 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.474 5.117 -8.118 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.915 2.487 -8.036 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.551 3.755 -9.189 1.00 0.00 H new ATOM 1428 N SER A 88 -12.654 2.347 -9.312 1.00 0.00 N ATOM 1429 CA SER A 88 -13.345 1.713 -10.431 1.00 0.00 C ATOM 1430 C SER A 88 -14.708 2.315 -10.643 1.00 0.00 C ATOM 1431 O SER A 88 -15.107 2.606 -11.762 1.00 0.00 O ATOM 1432 CB SER A 88 -13.482 0.212 -10.199 1.00 0.00 C ATOM 1433 OG SER A 88 -12.188 -0.372 -10.115 1.00 0.00 O ATOM 0 H SER A 88 -12.603 1.770 -8.472 1.00 0.00 H new ATOM 0 HA SER A 88 -12.745 1.885 -11.325 1.00 0.00 H new ATOM 0 HB2 SER A 88 -14.038 0.024 -9.281 1.00 0.00 H new ATOM 0 HB3 SER A 88 -14.047 -0.243 -11.013 1.00 0.00 H new ATOM 0 HG SER A 88 -11.928 -0.456 -9.174 1.00 0.00 H new ATOM 1439 N VAL A 89 -15.406 2.525 -9.551 1.00 0.00 N ATOM 1440 CA VAL A 89 -16.710 3.124 -9.610 1.00 0.00 C ATOM 1441 C VAL A 89 -16.522 4.534 -10.115 1.00 0.00 C ATOM 1442 O VAL A 89 -17.309 5.047 -10.896 1.00 0.00 O ATOM 1443 CB VAL A 89 -17.359 3.104 -8.219 1.00 0.00 C ATOM 1444 CG1 VAL A 89 -18.657 3.905 -8.250 1.00 0.00 C ATOM 1445 CG2 VAL A 89 -17.666 1.656 -7.817 1.00 0.00 C ATOM 0 H VAL A 89 -15.088 2.288 -8.611 1.00 0.00 H new ATOM 0 HA VAL A 89 -17.374 2.575 -10.277 1.00 0.00 H new ATOM 0 HB VAL A 89 -16.675 3.546 -7.495 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -19.117 3.890 -7.262 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -18.442 4.935 -8.535 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -19.340 3.463 -8.975 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -18.127 1.643 -6.829 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -18.349 1.214 -8.542 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -16.740 1.081 -7.793 1.00 0.00 H new ATOM 1455 N THR A 90 -15.437 5.137 -9.663 1.00 0.00 N ATOM 1456 CA THR A 90 -15.092 6.484 -10.054 1.00 0.00 C ATOM 1457 C THR A 90 -14.836 6.598 -11.555 1.00 0.00 C ATOM 1458 O THR A 90 -15.388 7.474 -12.216 1.00 0.00 O ATOM 1459 CB THR A 90 -13.854 6.915 -9.266 1.00 0.00 C ATOM 1460 OG1 THR A 90 -14.195 7.041 -7.894 1.00 0.00 O ATOM 1461 CG2 THR A 90 -13.320 8.249 -9.794 1.00 0.00 C ATOM 0 H THR A 90 -14.775 4.706 -9.018 1.00 0.00 H new ATOM 0 HA THR A 90 -15.933 7.140 -9.829 1.00 0.00 H new ATOM 0 HB THR A 90 -13.075 6.161 -9.384 1.00 0.00 H new ATOM 0 HG1 THR A 90 -13.705 6.371 -7.372 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.439 8.540 -9.222 1.00 0.00 H new ATOM 0 HG22 THR A 90 -13.051 8.143 -10.845 1.00 0.00 H new ATOM 0 HG23 THR A 90 -14.089 9.015 -9.692 1.00 0.00 H new ATOM 1469 N TYR A 91 -14.005 5.708 -12.087 1.00 0.00 N ATOM 1470 CA TYR A 91 -13.694 5.725 -13.512 1.00 0.00 C ATOM 1471 C TYR A 91 -14.883 5.239 -14.312 1.00 0.00 C ATOM 1472 O TYR A 91 -15.153 5.736 -15.405 1.00 0.00 O ATOM 1473 CB TYR A 91 -12.469 4.847 -13.816 1.00 0.00 C ATOM 1474 CG TYR A 91 -11.184 5.591 -13.481 1.00 0.00 C ATOM 1475 CD1 TYR A 91 -10.870 6.778 -14.162 1.00 0.00 C ATOM 1476 CD2 TYR A 91 -10.310 5.104 -12.494 1.00 0.00 C ATOM 1477 CE1 TYR A 91 -9.692 7.471 -13.857 1.00 0.00 C ATOM 1478 CE2 TYR A 91 -9.135 5.803 -12.191 1.00 0.00 C ATOM 1479 CZ TYR A 91 -8.827 6.984 -12.872 1.00 0.00 C ATOM 1480 OH TYR A 91 -7.667 7.669 -12.570 1.00 0.00 O ATOM 0 H TYR A 91 -13.538 4.971 -11.558 1.00 0.00 H new ATOM 0 HA TYR A 91 -13.464 6.752 -13.797 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -12.523 3.924 -13.238 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -12.469 4.564 -14.869 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.538 7.157 -14.922 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.545 4.190 -11.969 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -9.451 8.383 -14.383 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -8.466 5.429 -11.430 1.00 0.00 H new ATOM 0 HH TYR A 91 -7.182 7.195 -11.863 1.00 0.00 H new ATOM 1490 N THR A 92 -15.600 4.268 -13.771 1.00 0.00 N ATOM 1491 CA THR A 92 -16.760 3.761 -14.476 1.00 0.00 C ATOM 1492 C THR A 92 -17.812 4.842 -14.495 1.00 0.00 C ATOM 1493 O THR A 92 -18.356 5.175 -15.541 1.00 0.00 O ATOM 1494 CB THR A 92 -17.305 2.505 -13.800 1.00 0.00 C ATOM 1495 OG1 THR A 92 -17.478 2.767 -12.431 1.00 0.00 O ATOM 1496 CG2 THR A 92 -16.346 1.330 -13.995 1.00 0.00 C ATOM 0 H THR A 92 -15.406 3.827 -12.872 1.00 0.00 H new ATOM 0 HA THR A 92 -16.478 3.490 -15.494 1.00 0.00 H new ATOM 0 HB THR A 92 -18.261 2.238 -14.249 1.00 0.00 H new ATOM 0 HG1 THR A 92 -16.730 2.383 -11.927 1.00 0.00 H new ATOM 0 HG21 THR A 92 -16.752 0.444 -13.506 1.00 0.00 H new ATOM 0 HG22 THR A 92 -16.224 1.133 -15.060 1.00 0.00 H new ATOM 0 HG23 THR A 92 -15.378 1.574 -13.558 1.00 0.00 H new ATOM 1504 N GLU A 93 -18.049 5.441 -13.338 1.00 0.00 N ATOM 1505 CA GLU A 93 -18.996 6.531 -13.273 1.00 0.00 C ATOM 1506 C GLU A 93 -18.513 7.671 -14.153 1.00 0.00 C ATOM 1507 O GLU A 93 -19.311 8.364 -14.781 1.00 0.00 O ATOM 1508 CB GLU A 93 -19.173 7.016 -11.842 1.00 0.00 C ATOM 1509 CG GLU A 93 -20.011 6.006 -11.057 1.00 0.00 C ATOM 1510 CD GLU A 93 -20.074 6.408 -9.590 1.00 0.00 C ATOM 1511 OE1 GLU A 93 -19.298 7.263 -9.195 1.00 0.00 O ATOM 1512 OE2 GLU A 93 -20.896 5.854 -8.879 1.00 0.00 O1- ATOM 0 H GLU A 93 -17.607 5.195 -12.452 1.00 0.00 H new ATOM 0 HA GLU A 93 -19.963 6.175 -13.630 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -18.200 7.143 -11.368 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -19.660 7.991 -11.836 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -21.018 5.956 -11.472 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.577 5.010 -11.151 1.00 0.00 H new ATOM 1519 N HIS A 94 -17.195 7.850 -14.209 1.00 0.00 N ATOM 1520 CA HIS A 94 -16.636 8.905 -15.042 1.00 0.00 C ATOM 1521 C HIS A 94 -17.077 8.660 -16.467 1.00 0.00 C ATOM 1522 O HIS A 94 -17.391 9.584 -17.217 1.00 0.00 O ATOM 1523 CB HIS A 94 -15.109 8.910 -14.961 1.00 0.00 C ATOM 1524 CG HIS A 94 -14.572 10.131 -15.656 1.00 0.00 C ATOM 1525 ND1 HIS A 94 -14.388 10.181 -17.029 1.00 0.00 N ATOM 1526 CD2 HIS A 94 -14.167 11.355 -15.181 1.00 0.00 C ATOM 1527 CE1 HIS A 94 -13.893 11.395 -17.329 1.00 0.00 C ATOM 1528 NE2 HIS A 94 -13.739 12.151 -16.238 1.00 0.00 N ATOM 0 H HIS A 94 -16.510 7.291 -13.700 1.00 0.00 H new ATOM 0 HA HIS A 94 -16.991 9.875 -14.693 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -14.790 8.902 -13.919 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -14.707 8.009 -15.424 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -14.179 11.654 -14.143 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -13.650 11.719 -18.330 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -13.384 13.106 -16.191 1.00 0.00 H new ATOM 1536 N ALA A 95 -17.122 7.386 -16.808 1.00 0.00 N ATOM 1537 CA ALA A 95 -17.557 6.946 -18.128 1.00 0.00 C ATOM 1538 C ALA A 95 -18.992 6.453 -18.027 1.00 0.00 C ATOM 1539 O ALA A 95 -19.456 5.679 -18.855 1.00 0.00 O ATOM 1540 CB ALA A 95 -16.653 5.819 -18.630 1.00 0.00 C ATOM 0 H ALA A 95 -16.859 6.625 -16.182 1.00 0.00 H new ATOM 0 HA ALA A 95 -17.498 7.776 -18.832 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -16.986 5.497 -19.617 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -15.626 6.177 -18.693 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -16.702 4.978 -17.938 1.00 0.00 H new ATOM 1546 N LYS A 96 -19.681 6.917 -16.986 1.00 0.00 N ATOM 1547 CA LYS A 96 -21.069 6.537 -16.722 1.00 0.00 C ATOM 1548 C LYS A 96 -21.295 5.059 -17.025 1.00 0.00 C ATOM 1549 O LYS A 96 -22.379 4.647 -17.437 1.00 0.00 O ATOM 1550 CB LYS A 96 -22.088 7.417 -17.492 1.00 0.00 C ATOM 1551 CG LYS A 96 -21.563 7.861 -18.872 1.00 0.00 C ATOM 1552 CD LYS A 96 -21.650 6.703 -19.909 1.00 0.00 C ATOM 1553 CE LYS A 96 -22.902 6.859 -20.785 1.00 0.00 C ATOM 1554 NZ LYS A 96 -22.889 5.822 -21.855 1.00 0.00 N1+ ATOM 0 H LYS A 96 -19.294 7.567 -16.302 1.00 0.00 H new ATOM 0 HA LYS A 96 -21.243 6.709 -15.660 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -23.017 6.862 -17.622 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -22.324 8.299 -16.896 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -22.142 8.714 -19.227 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -20.529 8.193 -18.781 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -20.758 6.700 -20.536 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -21.678 5.744 -19.391 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -23.800 6.758 -20.176 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -22.928 7.855 -21.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -23.736 5.926 -22.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -22.038 5.939 -22.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -22.884 4.876 -21.422 1.00 0.00 H new ATOM 1568 N ARG A 97 -20.267 4.269 -16.789 1.00 0.00 N ATOM 1569 CA ARG A 97 -20.340 2.825 -17.007 1.00 0.00 C ATOM 1570 C ARG A 97 -20.679 2.117 -15.707 1.00 0.00 C ATOM 1571 O ARG A 97 -20.470 2.645 -14.616 1.00 0.00 O ATOM 1572 CB ARG A 97 -19.002 2.263 -17.543 1.00 0.00 C ATOM 1573 CG ARG A 97 -18.863 2.490 -19.058 1.00 0.00 C ATOM 1574 CD ARG A 97 -17.497 1.980 -19.539 1.00 0.00 C ATOM 1575 NE ARG A 97 -17.407 2.086 -20.991 1.00 0.00 N ATOM 1576 CZ ARG A 97 -16.313 1.701 -21.641 1.00 0.00 C ATOM 1577 NH1 ARG A 97 -15.296 1.220 -20.979 1.00 0.00 N ATOM 1578 NH2 ARG A 97 -16.256 1.804 -22.940 1.00 0.00 N1+ ATOM 0 H ARG A 97 -19.365 4.597 -16.445 1.00 0.00 H new ATOM 0 HA ARG A 97 -21.119 2.647 -17.749 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -18.171 2.741 -17.024 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -18.941 1.196 -17.327 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -19.662 1.971 -19.587 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -18.966 3.551 -19.287 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -16.699 2.559 -19.074 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -17.358 0.943 -19.233 1.00 0.00 H new ATOM 0 HE ARG A 97 -18.196 2.462 -21.516 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -15.341 1.140 -19.963 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -14.457 0.925 -21.478 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -17.051 2.180 -23.457 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -15.417 1.509 -23.439 1.00 0.00 H new ATOM 1592 N LYS A 98 -21.185 0.904 -15.846 1.00 0.00 N ATOM 1593 CA LYS A 98 -21.531 0.070 -14.712 1.00 0.00 C ATOM 1594 C LYS A 98 -20.977 -1.321 -14.994 1.00 0.00 C ATOM 1595 O LYS A 98 -21.699 -2.223 -15.419 1.00 0.00 O ATOM 1596 CB LYS A 98 -23.053 0.030 -14.547 1.00 0.00 C ATOM 1597 CG LYS A 98 -23.712 0.263 -15.916 1.00 0.00 C ATOM 1598 CD LYS A 98 -25.203 -0.056 -15.857 1.00 0.00 C ATOM 1599 CE LYS A 98 -25.976 1.103 -15.218 1.00 0.00 C ATOM 1600 NZ LYS A 98 -25.875 2.309 -16.089 1.00 0.00 N1+ ATOM 0 H LYS A 98 -21.367 0.470 -16.751 1.00 0.00 H new ATOM 0 HA LYS A 98 -21.109 0.462 -13.786 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -23.362 -0.933 -14.139 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -23.375 0.794 -13.839 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -23.568 1.299 -16.223 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -23.231 -0.362 -16.668 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -25.581 -0.242 -16.862 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -25.363 -0.968 -15.282 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -27.021 0.826 -15.083 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -25.573 1.321 -14.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -26.716 2.906 -15.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -25.023 2.849 -15.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -25.816 2.014 -17.085 1.00 0.00 H new ATOM 1614 N THR A 99 -19.675 -1.460 -14.797 1.00 0.00 N ATOM 1615 CA THR A 99 -18.987 -2.709 -15.075 1.00 0.00 C ATOM 1616 C THR A 99 -17.588 -2.690 -14.468 1.00 0.00 C ATOM 1617 O THR A 99 -16.944 -1.642 -14.421 1.00 0.00 O ATOM 1618 CB THR A 99 -18.881 -2.882 -16.592 1.00 0.00 C ATOM 1619 OG1 THR A 99 -20.185 -2.910 -17.157 1.00 0.00 O ATOM 1620 CG2 THR A 99 -18.158 -4.185 -16.910 1.00 0.00 C ATOM 0 H THR A 99 -19.071 -0.718 -14.443 1.00 0.00 H new ATOM 0 HA THR A 99 -19.546 -3.536 -14.637 1.00 0.00 H new ATOM 0 HB THR A 99 -18.320 -2.048 -17.014 1.00 0.00 H new ATOM 0 HG1 THR A 99 -20.833 -3.177 -16.472 1.00 0.00 H new ATOM 0 HG21 THR A 99 -18.084 -4.306 -17.991 1.00 0.00 H new ATOM 0 HG22 THR A 99 -17.157 -4.161 -16.478 1.00 0.00 H new ATOM 0 HG23 THR A 99 -18.715 -5.022 -16.489 1.00 0.00 H new ATOM 1628 N VAL A 100 -17.105 -3.850 -14.027 1.00 0.00 N ATOM 1629 CA VAL A 100 -15.761 -3.941 -13.454 1.00 0.00 C ATOM 1630 C VAL A 100 -14.850 -4.613 -14.470 1.00 0.00 C ATOM 1631 O VAL A 100 -15.120 -5.732 -14.906 1.00 0.00 O ATOM 1632 CB VAL A 100 -15.781 -4.765 -12.164 1.00 0.00 C ATOM 1633 CG1 VAL A 100 -14.390 -4.757 -11.526 1.00 0.00 C ATOM 1634 CG2 VAL A 100 -16.797 -4.156 -11.191 1.00 0.00 C ATOM 0 H VAL A 100 -17.617 -4.732 -14.054 1.00 0.00 H new ATOM 0 HA VAL A 100 -15.399 -2.940 -13.218 1.00 0.00 H new ATOM 0 HB VAL A 100 -16.064 -5.793 -12.392 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -14.407 -5.344 -10.608 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -13.669 -5.189 -12.220 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -14.101 -3.732 -11.295 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -16.815 -4.740 -10.271 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -16.512 -3.129 -10.964 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -17.788 -4.166 -11.646 1.00 0.00 H new ATOM 1644 N THR A 101 -13.780 -3.923 -14.862 1.00 0.00 N ATOM 1645 CA THR A 101 -12.850 -4.468 -15.853 1.00 0.00 C ATOM 1646 C THR A 101 -11.436 -4.488 -15.302 1.00 0.00 C ATOM 1647 O THR A 101 -11.066 -3.645 -14.487 1.00 0.00 O ATOM 1648 CB THR A 101 -12.882 -3.596 -17.111 1.00 0.00 C ATOM 1649 OG1 THR A 101 -12.402 -2.297 -16.793 1.00 0.00 O ATOM 1650 CG2 THR A 101 -14.319 -3.488 -17.632 1.00 0.00 C ATOM 0 H THR A 101 -13.536 -2.996 -14.514 1.00 0.00 H new ATOM 0 HA THR A 101 -13.153 -5.487 -16.093 1.00 0.00 H new ATOM 0 HB THR A 101 -12.253 -4.047 -17.878 1.00 0.00 H new ATOM 0 HG1 THR A 101 -12.419 -1.736 -17.596 1.00 0.00 H new ATOM 0 HG21 THR A 101 -14.336 -2.866 -18.527 1.00 0.00 H new ATOM 0 HG22 THR A 101 -14.694 -4.482 -17.874 1.00 0.00 H new ATOM 0 HG23 THR A 101 -14.951 -3.038 -16.866 1.00 0.00 H new ATOM 1658 N SER A 102 -10.648 -5.445 -15.766 1.00 0.00 N ATOM 1659 CA SER A 102 -9.268 -5.554 -15.321 1.00 0.00 C ATOM 1660 C SER A 102 -8.516 -4.302 -15.706 1.00 0.00 C ATOM 1661 O SER A 102 -7.475 -3.975 -15.144 1.00 0.00 O ATOM 1662 CB SER A 102 -8.582 -6.751 -15.976 1.00 0.00 C ATOM 1663 OG SER A 102 -8.483 -6.522 -17.376 1.00 0.00 O ATOM 0 H SER A 102 -10.936 -6.151 -16.444 1.00 0.00 H new ATOM 0 HA SER A 102 -9.266 -5.685 -14.239 1.00 0.00 H new ATOM 0 HB2 SER A 102 -7.590 -6.897 -15.548 1.00 0.00 H new ATOM 0 HB3 SER A 102 -9.149 -7.661 -15.783 1.00 0.00 H new ATOM 0 HG SER A 102 -7.612 -6.835 -17.698 1.00 0.00 H new ATOM 1669 N LEU A 103 -9.060 -3.617 -16.685 1.00 0.00 N ATOM 1670 CA LEU A 103 -8.461 -2.402 -17.181 1.00 0.00 C ATOM 1671 C LEU A 103 -8.549 -1.301 -16.131 1.00 0.00 C ATOM 1672 O LEU A 103 -7.564 -0.622 -15.843 1.00 0.00 O ATOM 1673 CB LEU A 103 -9.203 -1.997 -18.463 1.00 0.00 C ATOM 1674 CG LEU A 103 -8.489 -2.534 -19.709 1.00 0.00 C ATOM 1675 CD1 LEU A 103 -8.551 -4.065 -19.748 1.00 0.00 C ATOM 1676 CD2 LEU A 103 -9.183 -1.970 -20.944 1.00 0.00 C ATOM 0 H LEU A 103 -9.924 -3.885 -17.157 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.405 -2.561 -17.400 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -10.223 -2.379 -18.432 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -9.271 -0.911 -18.519 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.442 -2.231 -19.684 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -8.039 -4.427 -20.639 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -8.066 -4.472 -18.861 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.592 -4.386 -19.772 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -8.688 -2.342 -21.841 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -10.227 -2.283 -20.949 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.131 -0.881 -20.925 1.00 0.00 H new ATOM 1688 N ASP A 104 -9.725 -1.129 -15.560 1.00 0.00 N ATOM 1689 CA ASP A 104 -9.911 -0.119 -14.544 1.00 0.00 C ATOM 1690 C ASP A 104 -9.080 -0.495 -13.331 1.00 0.00 C ATOM 1691 O ASP A 104 -8.543 0.366 -12.634 1.00 0.00 O ATOM 1692 CB ASP A 104 -11.398 -0.025 -14.188 1.00 0.00 C ATOM 1693 CG ASP A 104 -11.729 1.347 -13.623 1.00 0.00 C ATOM 1694 OD1 ASP A 104 -10.813 2.030 -13.194 1.00 0.00 O ATOM 1695 OD2 ASP A 104 -12.897 1.699 -13.638 1.00 0.00 O1- ATOM 0 H ASP A 104 -10.559 -1.673 -15.782 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.587 0.857 -14.906 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -12.002 -0.214 -15.075 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -11.652 -0.795 -13.459 1.00 0.00 H new ATOM 1700 N VAL A 105 -8.949 -1.797 -13.111 1.00 0.00 N ATOM 1701 CA VAL A 105 -8.143 -2.290 -12.006 1.00 0.00 C ATOM 1702 C VAL A 105 -6.705 -1.873 -12.237 1.00 0.00 C ATOM 1703 O VAL A 105 -6.020 -1.412 -11.328 1.00 0.00 O ATOM 1704 CB VAL A 105 -8.236 -3.812 -11.924 1.00 0.00 C ATOM 1705 CG1 VAL A 105 -7.213 -4.339 -10.905 1.00 0.00 C ATOM 1706 CG2 VAL A 105 -9.652 -4.213 -11.488 1.00 0.00 C ATOM 0 H VAL A 105 -9.387 -2.523 -13.678 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.508 -1.872 -11.068 1.00 0.00 H new ATOM 0 HB VAL A 105 -8.021 -4.242 -12.902 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -7.282 -5.425 -10.849 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -6.208 -4.055 -11.218 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -7.422 -3.911 -9.925 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.721 -5.299 -11.429 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -9.867 -3.782 -10.510 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -10.375 -3.843 -12.215 1.00 0.00 H new ATOM 1716 N VAL A 106 -6.268 -2.019 -13.480 1.00 0.00 N ATOM 1717 CA VAL A 106 -4.924 -1.636 -13.859 1.00 0.00 C ATOM 1718 C VAL A 106 -4.717 -0.147 -13.614 1.00 0.00 C ATOM 1719 O VAL A 106 -3.670 0.267 -13.121 1.00 0.00 O ATOM 1720 CB VAL A 106 -4.677 -2.007 -15.329 1.00 0.00 C ATOM 1721 CG1 VAL A 106 -3.461 -1.256 -15.863 1.00 0.00 C ATOM 1722 CG2 VAL A 106 -4.403 -3.513 -15.420 1.00 0.00 C ATOM 0 H VAL A 106 -6.829 -2.401 -14.241 1.00 0.00 H new ATOM 0 HA VAL A 106 -4.201 -2.176 -13.247 1.00 0.00 H new ATOM 0 HB VAL A 106 -5.554 -1.740 -15.918 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -3.295 -1.527 -16.906 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -3.635 -0.183 -15.790 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.582 -1.522 -15.275 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.226 -3.788 -16.460 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.524 -3.759 -14.825 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -5.264 -4.063 -15.040 1.00 0.00 H new ATOM 1732 N TYR A 107 -5.722 0.647 -13.942 1.00 0.00 N ATOM 1733 CA TYR A 107 -5.628 2.077 -13.723 1.00 0.00 C ATOM 1734 C TYR A 107 -5.476 2.320 -12.233 1.00 0.00 C ATOM 1735 O TYR A 107 -4.696 3.169 -11.799 1.00 0.00 O ATOM 1736 CB TYR A 107 -6.902 2.773 -14.214 1.00 0.00 C ATOM 1737 CG TYR A 107 -7.202 2.479 -15.683 1.00 0.00 C ATOM 1738 CD1 TYR A 107 -6.284 1.818 -16.532 1.00 0.00 C ATOM 1739 CD2 TYR A 107 -8.446 2.875 -16.196 1.00 0.00 C ATOM 1740 CE1 TYR A 107 -6.620 1.572 -17.869 1.00 0.00 C ATOM 1741 CE2 TYR A 107 -8.774 2.624 -17.533 1.00 0.00 C ATOM 1742 CZ TYR A 107 -7.862 1.975 -18.368 1.00 0.00 C ATOM 1743 OH TYR A 107 -8.189 1.727 -19.686 1.00 0.00 O ATOM 0 H TYR A 107 -6.599 0.331 -14.355 1.00 0.00 H new ATOM 0 HA TYR A 107 -4.774 2.476 -14.271 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.746 2.452 -13.603 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -6.800 3.849 -14.076 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -5.324 1.503 -16.149 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -9.155 3.377 -15.555 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.917 1.069 -18.517 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -9.734 2.933 -17.920 1.00 0.00 H new ATOM 0 HH TYR A 107 -9.088 2.070 -19.870 1.00 0.00 H new ATOM 1753 N ALA A 108 -6.225 1.547 -11.452 1.00 0.00 N ATOM 1754 CA ALA A 108 -6.170 1.661 -10.010 1.00 0.00 C ATOM 1755 C ALA A 108 -4.782 1.283 -9.508 1.00 0.00 C ATOM 1756 O ALA A 108 -4.220 1.956 -8.649 1.00 0.00 O ATOM 1757 CB ALA A 108 -7.224 0.758 -9.371 1.00 0.00 C ATOM 0 H ALA A 108 -6.873 0.839 -11.798 1.00 0.00 H new ATOM 0 HA ALA A 108 -6.376 2.694 -9.730 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -7.174 0.851 -8.286 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -8.215 1.055 -9.715 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -7.036 -0.278 -9.655 1.00 0.00 H new ATOM 1763 N LEU A 109 -4.230 0.208 -10.073 1.00 0.00 N ATOM 1764 CA LEU A 109 -2.899 -0.250 -9.696 1.00 0.00 C ATOM 1765 C LEU A 109 -1.844 0.782 -10.080 1.00 0.00 C ATOM 1766 O LEU A 109 -0.865 0.985 -9.361 1.00 0.00 O ATOM 1767 CB LEU A 109 -2.586 -1.610 -10.367 1.00 0.00 C ATOM 1768 CG LEU A 109 -3.202 -2.788 -9.592 1.00 0.00 C ATOM 1769 CD1 LEU A 109 -3.253 -4.029 -10.495 1.00 0.00 C ATOM 1770 CD2 LEU A 109 -2.325 -3.144 -8.379 1.00 0.00 C ATOM 0 H LEU A 109 -4.685 -0.357 -10.790 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.877 -0.379 -8.614 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.968 -1.608 -11.388 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.506 -1.743 -10.431 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.201 -2.496 -9.269 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.690 -4.862 -9.944 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.863 -3.815 -11.373 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.243 -4.292 -10.810 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.772 -3.979 -7.839 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.328 -3.424 -8.720 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.252 -2.281 -7.717 1.00 0.00 H new