USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 628 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 39 ASN : amide:sc= -7.62! C(o=-14!,f=-6.6!) USER MOD Set 1.2: A 42 GLN : amide:sc= -6.26! C(o=-14!,f=-6.6!) USER MOD Single : A 16 CYS SG : rot -90:sc= -0.944 USER MOD Single : A 18 ASN : amide:sc= -0.051 X(o=-0.051,f=-0.098) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -1.08 K(o=-1.1,f=0.18) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.0274 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 150:sc= 0.0875 (180deg=0.0064) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.56) USER MOD Single : A 40 GLN : amide:sc= -6.65! C(o=-6.7!,f=-5.2!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -140:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0395 X(o=-0.04,f=-0.29) USER MOD Single : A 50 ASN : amide:sc= 0.00752 X(o=0.0075,f=0) USER MOD Single : A 51 MET CE :methyl -165:sc= -0.655 (180deg=-1.38) USER MOD Single : A 52 MET CE :methyl -169:sc= -4.13 (180deg=-4.84!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc=-0.00782 USER MOD Single : A 64 LYS NZ :NH3+ -147:sc= -0.362 (180deg=-1.48!) USER MOD Single : A 69 CYS SG : rot 180:sc=-0.00428 USER MOD Single : A 77 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.732) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 11 0.418 7.145 4.921 1.00 0.00 N ATOM 121 CA LEU A 11 1.666 6.454 4.616 1.00 0.00 C ATOM 122 C LEU A 11 1.726 5.103 5.320 1.00 0.00 C ATOM 123 O LEU A 11 2.162 4.109 4.739 1.00 0.00 O ATOM 124 CB LEU A 11 2.862 7.313 5.032 1.00 0.00 C ATOM 125 CG LEU A 11 4.146 7.110 4.227 1.00 0.00 C ATOM 126 CD1 LEU A 11 4.704 5.713 4.456 1.00 0.00 C ATOM 127 CD2 LEU A 11 3.890 7.349 2.747 1.00 0.00 C ATOM 0 HA LEU A 11 1.705 6.284 3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.573 8.362 4.960 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.079 7.114 6.081 1.00 0.00 H new ATOM 0 HG LEU A 11 4.886 7.834 4.568 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.618 5.586 3.875 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.925 5.579 5.515 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.969 4.972 4.142 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.815 7.200 2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.135 6.649 2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.537 8.370 2.599 1.00 0.00 H new ATOM 139 N ARG A 12 1.284 5.074 6.573 1.00 0.00 N ATOM 140 CA ARG A 12 1.287 3.844 7.356 1.00 0.00 C ATOM 141 C ARG A 12 0.562 2.725 6.613 1.00 0.00 C ATOM 142 O ARG A 12 0.778 1.545 6.884 1.00 0.00 O ATOM 143 CB ARG A 12 0.627 4.078 8.716 1.00 0.00 C ATOM 144 CG ARG A 12 1.575 4.636 9.765 1.00 0.00 C ATOM 145 CD ARG A 12 1.181 4.192 11.165 1.00 0.00 C ATOM 146 NE ARG A 12 1.069 2.739 11.267 1.00 0.00 N ATOM 147 CZ ARG A 12 0.675 2.108 12.367 1.00 0.00 C ATOM 148 NH1 ARG A 12 0.357 2.798 13.453 1.00 0.00 N ATOM 149 NH2 ARG A 12 0.599 0.783 12.382 1.00 0.00 N ATOM 0 H ARG A 12 0.919 5.888 7.068 1.00 0.00 H new ATOM 0 HA ARG A 12 2.323 3.543 7.510 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.209 4.766 8.591 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.213 3.136 9.077 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.592 4.306 9.550 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.575 5.725 9.714 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.921 4.550 11.881 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.229 4.649 11.436 1.00 0.00 H new ATOM 0 HE ARG A 12 1.306 2.179 10.449 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.415 3.816 13.445 1.00 0.00 H new ATOM 0 HH12 ARG A 12 0.055 2.311 14.297 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.843 0.249 11.548 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.296 0.299 13.227 1.00 0.00 H new ATOM 163 N GLY A 13 -0.301 3.106 5.675 1.00 0.00 N ATOM 164 CA GLY A 13 -1.045 2.124 4.910 1.00 0.00 C ATOM 165 C GLY A 13 -0.206 0.915 4.547 1.00 0.00 C ATOM 166 O GLY A 13 -0.734 -0.180 4.348 1.00 0.00 O ATOM 0 H GLY A 13 -0.497 4.077 5.432 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.912 1.801 5.486 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.422 2.588 3.998 1.00 0.00 H new ATOM 170 N LEU A 14 1.105 1.110 4.459 1.00 0.00 N ATOM 171 CA LEU A 14 2.020 0.027 4.116 1.00 0.00 C ATOM 172 C LEU A 14 2.385 -0.789 5.352 1.00 0.00 C ATOM 173 O LEU A 14 2.272 -2.014 5.353 1.00 0.00 O ATOM 174 CB LEU A 14 3.287 0.589 3.468 1.00 0.00 C ATOM 175 CG LEU A 14 3.073 1.568 2.313 1.00 0.00 C ATOM 176 CD1 LEU A 14 4.359 2.319 2.005 1.00 0.00 C ATOM 177 CD2 LEU A 14 2.572 0.835 1.078 1.00 0.00 C ATOM 0 H LEU A 14 1.559 2.009 4.621 1.00 0.00 H new ATOM 0 HA LEU A 14 1.517 -0.629 3.406 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.873 1.090 4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.886 -0.246 3.104 1.00 0.00 H new ATOM 0 HG LEU A 14 2.316 2.293 2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.188 3.011 1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.675 2.876 2.887 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.137 1.609 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.425 1.548 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.305 0.087 0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.626 0.344 1.305 1.00 0.00 H new ATOM 189 N GLU A 15 2.822 -0.100 6.402 1.00 0.00 N ATOM 190 CA GLU A 15 3.202 -0.762 7.644 1.00 0.00 C ATOM 191 C GLU A 15 2.044 -1.584 8.199 1.00 0.00 C ATOM 192 O GLU A 15 2.245 -2.672 8.742 1.00 0.00 O ATOM 193 CB GLU A 15 3.651 0.270 8.681 1.00 0.00 C ATOM 194 CG GLU A 15 5.036 0.839 8.413 1.00 0.00 C ATOM 195 CD GLU A 15 5.390 1.976 9.353 1.00 0.00 C ATOM 196 OE1 GLU A 15 5.276 1.786 10.582 1.00 0.00 O ATOM 197 OE2 GLU A 15 5.781 3.054 8.859 1.00 0.00 O ATOM 0 H GLU A 15 2.921 0.915 6.417 1.00 0.00 H new ATOM 0 HA GLU A 15 4.032 -1.435 7.427 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.930 1.087 8.704 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.642 -0.192 9.668 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.777 0.046 8.513 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.086 1.194 7.384 1.00 0.00 H new ATOM 204 N CYS A 16 0.832 -1.059 8.059 1.00 0.00 N ATOM 205 CA CYS A 16 -0.360 -1.744 8.546 1.00 0.00 C ATOM 206 C CYS A 16 -0.329 -3.222 8.173 1.00 0.00 C ATOM 207 O CYS A 16 -0.429 -4.093 9.038 1.00 0.00 O ATOM 208 CB CYS A 16 -1.619 -1.088 7.979 1.00 0.00 C ATOM 209 SG CYS A 16 -3.142 -2.005 8.307 1.00 0.00 S ATOM 0 H CYS A 16 0.649 -0.161 7.612 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.376 -1.663 9.633 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.714 -0.086 8.398 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.502 -0.973 6.901 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.361 -2.844 7.338 1.00 0.00 H new ATOM 215 N ILE A 17 -0.192 -3.497 6.880 1.00 0.00 N ATOM 216 CA ILE A 17 -0.148 -4.870 6.392 1.00 0.00 C ATOM 217 C ILE A 17 1.135 -5.568 6.827 1.00 0.00 C ATOM 218 O ILE A 17 2.216 -4.982 6.788 1.00 0.00 O ATOM 219 CB ILE A 17 -0.254 -4.926 4.857 1.00 0.00 C ATOM 220 CG1 ILE A 17 0.711 -3.924 4.221 1.00 0.00 C ATOM 221 CG2 ILE A 17 -1.683 -4.647 4.414 1.00 0.00 C ATOM 222 CD1 ILE A 17 0.872 -4.104 2.728 1.00 0.00 C ATOM 0 H ILE A 17 -0.110 -2.787 6.152 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.004 -5.386 6.826 1.00 0.00 H new ATOM 0 HB ILE A 17 0.020 -5.927 4.525 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.356 -2.913 4.421 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.687 -4.019 4.698 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.742 -4.690 3.326 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.350 -5.395 4.843 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.983 -3.656 4.755 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.570 -3.360 2.345 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.257 -5.103 2.521 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.095 -3.979 2.240 1.00 0.00 H new ATOM 234 N ASN A 18 1.009 -6.824 7.240 1.00 0.00 N ATOM 235 CA ASN A 18 2.160 -7.605 7.681 1.00 0.00 C ATOM 236 C ASN A 18 3.148 -7.811 6.537 1.00 0.00 C ATOM 237 O ASN A 18 2.779 -7.746 5.364 1.00 0.00 O ATOM 238 CB ASN A 18 1.705 -8.959 8.230 1.00 0.00 C ATOM 239 CG ASN A 18 0.611 -8.823 9.271 1.00 0.00 C ATOM 240 OD1 ASN A 18 -0.572 -8.983 8.969 1.00 0.00 O ATOM 241 ND2 ASN A 18 1.003 -8.528 10.505 1.00 0.00 N ATOM 0 H ASN A 18 0.121 -7.324 7.279 1.00 0.00 H new ATOM 0 HA ASN A 18 2.662 -7.051 8.474 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.346 -9.579 7.408 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.559 -9.475 8.669 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.312 -8.425 11.249 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.995 -8.404 10.709 1.00 0.00 H new ATOM 248 N LYS A 19 4.404 -8.063 6.887 1.00 0.00 N ATOM 249 CA LYS A 19 5.447 -8.282 5.891 1.00 0.00 C ATOM 250 C LYS A 19 5.038 -9.372 4.905 1.00 0.00 C ATOM 251 O LYS A 19 5.592 -9.473 3.811 1.00 0.00 O ATOM 252 CB LYS A 19 6.762 -8.665 6.574 1.00 0.00 C ATOM 253 CG LYS A 19 7.521 -7.479 7.141 1.00 0.00 C ATOM 254 CD LYS A 19 8.387 -6.814 6.083 1.00 0.00 C ATOM 255 CE LYS A 19 9.420 -5.890 6.709 1.00 0.00 C ATOM 256 NZ LYS A 19 8.886 -4.514 6.906 1.00 0.00 N ATOM 0 H LYS A 19 4.725 -8.121 7.853 1.00 0.00 H new ATOM 0 HA LYS A 19 5.588 -7.352 5.340 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.552 -9.369 7.379 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.398 -9.182 5.855 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.815 -6.753 7.544 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.147 -7.809 7.970 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.892 -7.578 5.491 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.756 -6.246 5.399 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.737 -6.297 7.669 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.304 -5.849 6.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.620 -3.915 7.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.607 -4.115 5.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.058 -4.550 7.534 1.00 0.00 H new ATOM 270 N HIS A 20 4.062 -10.184 5.300 1.00 0.00 N ATOM 271 CA HIS A 20 3.576 -11.265 4.450 1.00 0.00 C ATOM 272 C HIS A 20 2.967 -10.714 3.164 1.00 0.00 C ATOM 273 O HIS A 20 3.428 -11.021 2.065 1.00 0.00 O ATOM 274 CB HIS A 20 2.541 -12.106 5.199 1.00 0.00 C ATOM 275 CG HIS A 20 1.595 -12.835 4.295 1.00 0.00 C ATOM 276 ND1 HIS A 20 1.881 -14.065 3.741 1.00 0.00 N ATOM 277 CD2 HIS A 20 0.361 -12.501 3.851 1.00 0.00 C ATOM 278 CE1 HIS A 20 0.864 -14.456 2.994 1.00 0.00 C ATOM 279 NE2 HIS A 20 -0.072 -13.526 3.044 1.00 0.00 N ATOM 0 H HIS A 20 3.593 -10.114 6.203 1.00 0.00 H new ATOM 0 HA HIS A 20 4.425 -11.896 4.187 1.00 0.00 H new ATOM 0 HB2 HIS A 20 3.059 -12.829 5.829 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.969 -11.457 5.863 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.182 -11.598 4.087 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.808 -15.380 2.437 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.970 -13.562 2.562 1.00 0.00 H new ATOM 288 N TYR A 21 1.929 -9.899 3.310 1.00 0.00 N ATOM 289 CA TYR A 21 1.254 -9.307 2.161 1.00 0.00 C ATOM 290 C TYR A 21 2.135 -8.253 1.495 1.00 0.00 C ATOM 291 O TYR A 21 2.229 -8.189 0.269 1.00 0.00 O ATOM 292 CB TYR A 21 -0.074 -8.681 2.588 1.00 0.00 C ATOM 293 CG TYR A 21 -1.214 -9.672 2.662 1.00 0.00 C ATOM 294 CD1 TYR A 21 -1.572 -10.432 1.555 1.00 0.00 C ATOM 295 CD2 TYR A 21 -1.935 -9.846 3.837 1.00 0.00 C ATOM 296 CE1 TYR A 21 -2.613 -11.338 1.618 1.00 0.00 C ATOM 297 CE2 TYR A 21 -2.976 -10.750 3.909 1.00 0.00 C ATOM 298 CZ TYR A 21 -3.312 -11.494 2.796 1.00 0.00 C ATOM 299 OH TYR A 21 -4.349 -12.395 2.864 1.00 0.00 O ATOM 0 H TYR A 21 1.536 -9.633 4.213 1.00 0.00 H new ATOM 0 HA TYR A 21 1.058 -10.100 1.440 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.052 -8.211 3.564 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.336 -7.890 1.885 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.027 -10.312 0.630 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.677 -9.264 4.709 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.878 -11.921 0.749 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.524 -10.874 4.831 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.735 -12.383 3.765 1.00 0.00 H new ATOM 309 N PHE A 22 2.779 -7.428 2.313 1.00 0.00 N ATOM 310 CA PHE A 22 3.652 -6.375 1.806 1.00 0.00 C ATOM 311 C PHE A 22 4.525 -6.895 0.669 1.00 0.00 C ATOM 312 O PHE A 22 4.772 -6.191 -0.310 1.00 0.00 O ATOM 313 CB PHE A 22 4.533 -5.828 2.932 1.00 0.00 C ATOM 314 CG PHE A 22 5.399 -4.676 2.508 1.00 0.00 C ATOM 315 CD1 PHE A 22 4.857 -3.602 1.820 1.00 0.00 C ATOM 316 CD2 PHE A 22 6.752 -4.666 2.800 1.00 0.00 C ATOM 317 CE1 PHE A 22 5.650 -2.539 1.429 1.00 0.00 C ATOM 318 CE2 PHE A 22 7.551 -3.606 2.412 1.00 0.00 C ATOM 319 CZ PHE A 22 7.000 -2.543 1.725 1.00 0.00 C ATOM 0 H PHE A 22 2.713 -7.468 3.330 1.00 0.00 H new ATOM 0 HA PHE A 22 3.025 -5.570 1.421 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.897 -5.510 3.758 1.00 0.00 H new ATOM 0 HB3 PHE A 22 5.168 -6.630 3.309 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.803 -3.595 1.586 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.189 -5.495 3.337 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.216 -1.708 0.894 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.605 -3.610 2.646 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.623 -1.716 1.419 1.00 0.00 H new ATOM 329 N SER A 23 4.991 -8.133 0.806 1.00 0.00 N ATOM 330 CA SER A 23 5.842 -8.746 -0.207 1.00 0.00 C ATOM 331 C SER A 23 5.196 -8.653 -1.586 1.00 0.00 C ATOM 332 O SER A 23 5.844 -8.275 -2.564 1.00 0.00 O ATOM 333 CB SER A 23 6.113 -10.210 0.143 1.00 0.00 C ATOM 334 OG SER A 23 7.064 -10.779 -0.741 1.00 0.00 O ATOM 0 H SER A 23 4.793 -8.731 1.609 1.00 0.00 H new ATOM 0 HA SER A 23 6.787 -8.204 -0.229 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.477 -10.281 1.168 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.183 -10.777 0.095 1.00 0.00 H new ATOM 0 HG SER A 23 7.221 -11.715 -0.495 1.00 0.00 H new ATOM 340 N LEU A 24 3.916 -9.000 -1.659 1.00 0.00 N ATOM 341 CA LEU A 24 3.182 -8.956 -2.917 1.00 0.00 C ATOM 342 C LEU A 24 3.197 -7.551 -3.509 1.00 0.00 C ATOM 343 O LEU A 24 3.622 -7.350 -4.647 1.00 0.00 O ATOM 344 CB LEU A 24 1.738 -9.416 -2.704 1.00 0.00 C ATOM 345 CG LEU A 24 1.545 -10.901 -2.394 1.00 0.00 C ATOM 346 CD1 LEU A 24 1.898 -11.193 -0.943 1.00 0.00 C ATOM 347 CD2 LEU A 24 0.115 -11.327 -2.692 1.00 0.00 C ATOM 0 H LEU A 24 3.365 -9.315 -0.861 1.00 0.00 H new ATOM 0 HA LEU A 24 3.673 -9.631 -3.618 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.310 -8.836 -1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.165 -9.175 -3.600 1.00 0.00 H new ATOM 0 HG LEU A 24 2.215 -11.476 -3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.755 -12.254 -0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.939 -10.926 -0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.253 -10.608 -0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.004 -12.387 -2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.573 -10.745 -2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.104 -11.155 -3.746 1.00 0.00 H new ATOM 359 N PHE A 25 2.733 -6.581 -2.728 1.00 0.00 N ATOM 360 CA PHE A 25 2.696 -5.192 -3.173 1.00 0.00 C ATOM 361 C PHE A 25 3.980 -4.823 -3.911 1.00 0.00 C ATOM 362 O PHE A 25 3.941 -4.266 -5.009 1.00 0.00 O ATOM 363 CB PHE A 25 2.493 -4.257 -1.980 1.00 0.00 C ATOM 364 CG PHE A 25 2.182 -2.841 -2.375 1.00 0.00 C ATOM 365 CD1 PHE A 25 1.114 -2.559 -3.211 1.00 0.00 C ATOM 366 CD2 PHE A 25 2.960 -1.793 -1.910 1.00 0.00 C ATOM 367 CE1 PHE A 25 0.826 -1.257 -3.575 1.00 0.00 C ATOM 368 CE2 PHE A 25 2.676 -0.489 -2.271 1.00 0.00 C ATOM 369 CZ PHE A 25 1.609 -0.221 -3.105 1.00 0.00 C ATOM 0 H PHE A 25 2.377 -6.731 -1.784 1.00 0.00 H new ATOM 0 HA PHE A 25 1.858 -5.079 -3.860 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.681 -4.640 -1.362 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.393 -4.265 -1.365 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.499 -3.366 -3.583 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.797 -1.997 -1.259 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.010 -1.050 -4.226 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.289 0.320 -1.901 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.387 0.797 -3.389 1.00 0.00 H new ATOM 379 N LYS A 26 5.117 -5.137 -3.300 1.00 0.00 N ATOM 380 CA LYS A 26 6.414 -4.839 -3.896 1.00 0.00 C ATOM 381 C LYS A 26 6.557 -5.519 -5.254 1.00 0.00 C ATOM 382 O LYS A 26 7.116 -4.947 -6.190 1.00 0.00 O ATOM 383 CB LYS A 26 7.542 -5.290 -2.966 1.00 0.00 C ATOM 384 CG LYS A 26 7.914 -4.259 -1.915 1.00 0.00 C ATOM 385 CD LYS A 26 8.952 -4.800 -0.945 1.00 0.00 C ATOM 386 CE LYS A 26 8.373 -5.898 -0.066 1.00 0.00 C ATOM 387 NZ LYS A 26 9.379 -6.423 0.898 1.00 0.00 N ATOM 0 H LYS A 26 5.167 -5.598 -2.392 1.00 0.00 H new ATOM 0 HA LYS A 26 6.481 -3.761 -4.040 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.244 -6.213 -2.468 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.424 -5.521 -3.564 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.302 -3.365 -2.403 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.022 -3.961 -1.365 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.804 -5.189 -1.502 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.324 -3.989 -0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.513 -5.510 0.481 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.011 -6.713 -0.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.897 -6.749 1.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.892 -7.218 0.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.052 -5.669 1.143 1.00 0.00 H new ATOM 401 N SER A 27 6.048 -6.744 -5.354 1.00 0.00 N ATOM 402 CA SER A 27 6.122 -7.502 -6.598 1.00 0.00 C ATOM 403 C SER A 27 5.268 -6.852 -7.682 1.00 0.00 C ATOM 404 O SER A 27 5.562 -6.967 -8.872 1.00 0.00 O ATOM 405 CB SER A 27 5.664 -8.943 -6.367 1.00 0.00 C ATOM 406 OG SER A 27 6.074 -9.785 -7.432 1.00 0.00 O ATOM 0 H SER A 27 5.581 -7.232 -4.590 1.00 0.00 H new ATOM 0 HA SER A 27 7.159 -7.506 -6.932 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.075 -9.313 -5.428 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.578 -8.972 -6.273 1.00 0.00 H new ATOM 0 HG SER A 27 5.771 -10.701 -7.260 1.00 0.00 H new ATOM 412 N LEU A 28 4.208 -6.170 -7.262 1.00 0.00 N ATOM 413 CA LEU A 28 3.310 -5.501 -8.196 1.00 0.00 C ATOM 414 C LEU A 28 3.896 -4.170 -8.658 1.00 0.00 C ATOM 415 O LEU A 28 3.722 -3.768 -9.809 1.00 0.00 O ATOM 416 CB LEU A 28 1.945 -5.271 -7.546 1.00 0.00 C ATOM 417 CG LEU A 28 1.241 -6.516 -7.005 1.00 0.00 C ATOM 418 CD1 LEU A 28 0.151 -6.127 -6.019 1.00 0.00 C ATOM 419 CD2 LEU A 28 0.661 -7.339 -8.145 1.00 0.00 C ATOM 0 H LEU A 28 3.950 -6.066 -6.281 1.00 0.00 H new ATOM 0 HA LEU A 28 3.188 -6.145 -9.067 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.070 -4.564 -6.726 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.291 -4.798 -8.279 1.00 0.00 H new ATOM 0 HG LEU A 28 1.977 -7.126 -6.481 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.339 -7.026 -5.645 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.592 -5.581 -5.186 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.583 -5.495 -6.519 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.164 -8.221 -7.741 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.060 -6.737 -8.698 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.463 -7.649 -8.814 1.00 0.00 H new ATOM 431 N LEU A 29 4.594 -3.492 -7.753 1.00 0.00 N ATOM 432 CA LEU A 29 5.210 -2.207 -8.067 1.00 0.00 C ATOM 433 C LEU A 29 6.608 -2.400 -8.645 1.00 0.00 C ATOM 434 O LEU A 29 7.126 -1.531 -9.346 1.00 0.00 O ATOM 435 CB LEU A 29 5.279 -1.333 -6.814 1.00 0.00 C ATOM 436 CG LEU A 29 4.042 -0.483 -6.520 1.00 0.00 C ATOM 437 CD1 LEU A 29 3.761 0.467 -7.674 1.00 0.00 C ATOM 438 CD2 LEU A 29 2.837 -1.370 -6.251 1.00 0.00 C ATOM 0 H LEU A 29 4.747 -3.811 -6.796 1.00 0.00 H new ATOM 0 HA LEU A 29 4.594 -1.709 -8.816 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.465 -1.978 -5.955 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.138 -0.669 -6.905 1.00 0.00 H new ATOM 0 HG LEU A 29 4.237 0.111 -5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.877 1.064 -7.447 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.617 1.126 -7.819 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.587 -0.107 -8.584 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.966 -0.748 -6.044 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.640 -1.991 -7.125 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.040 -2.008 -5.391 1.00 0.00 H new ATOM 450 N ALA A 30 7.213 -3.545 -8.347 1.00 0.00 N ATOM 451 CA ALA A 30 8.549 -3.854 -8.841 1.00 0.00 C ATOM 452 C ALA A 30 8.762 -3.287 -10.240 1.00 0.00 C ATOM 453 O ALA A 30 9.762 -2.619 -10.504 1.00 0.00 O ATOM 454 CB ALA A 30 8.779 -5.358 -8.837 1.00 0.00 C ATOM 0 H ALA A 30 6.799 -4.274 -7.766 1.00 0.00 H new ATOM 0 HA ALA A 30 9.273 -3.386 -8.174 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.781 -5.574 -9.208 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.679 -5.739 -7.821 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.042 -5.840 -9.479 1.00 0.00 H new ATOM 460 N ARG A 31 7.818 -3.561 -11.134 1.00 0.00 N ATOM 461 CA ARG A 31 7.903 -3.079 -12.507 1.00 0.00 C ATOM 462 C ARG A 31 8.118 -1.569 -12.542 1.00 0.00 C ATOM 463 O ARG A 31 9.131 -1.087 -13.049 1.00 0.00 O ATOM 464 CB ARG A 31 6.634 -3.443 -13.279 1.00 0.00 C ATOM 465 CG ARG A 31 5.352 -3.111 -12.531 1.00 0.00 C ATOM 466 CD ARG A 31 4.253 -4.117 -12.836 1.00 0.00 C ATOM 467 NE ARG A 31 3.436 -3.705 -13.975 1.00 0.00 N ATOM 468 CZ ARG A 31 2.535 -4.491 -14.555 1.00 0.00 C ATOM 469 NH1 ARG A 31 2.337 -5.722 -14.105 1.00 0.00 N ATOM 470 NH2 ARG A 31 1.829 -4.045 -15.586 1.00 0.00 N ATOM 0 H ARG A 31 6.985 -4.114 -10.932 1.00 0.00 H new ATOM 0 HA ARG A 31 8.758 -3.561 -12.981 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.635 -2.916 -14.233 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.648 -4.510 -13.504 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.548 -3.098 -11.459 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.018 -2.111 -12.806 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.699 -5.090 -13.043 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.618 -4.237 -11.959 1.00 0.00 H new ATOM 0 HE ARG A 31 3.564 -2.763 -14.345 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.877 -6.068 -13.312 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.645 -6.323 -14.552 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.978 -3.098 -15.934 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.138 -4.649 -16.030 1.00 0.00 H new ATOM 484 N ASP A 32 7.157 -0.828 -12.000 1.00 0.00 N ATOM 485 CA ASP A 32 7.240 0.628 -11.969 1.00 0.00 C ATOM 486 C ASP A 32 8.429 1.086 -11.131 1.00 0.00 C ATOM 487 O ASP A 32 9.355 1.719 -11.641 1.00 0.00 O ATOM 488 CB ASP A 32 5.947 1.221 -11.409 1.00 0.00 C ATOM 489 CG ASP A 32 4.890 1.418 -12.478 1.00 0.00 C ATOM 490 OD1 ASP A 32 4.322 0.408 -12.943 1.00 0.00 O ATOM 491 OD2 ASP A 32 4.630 2.583 -12.849 1.00 0.00 O ATOM 0 H ASP A 32 6.312 -1.211 -11.576 1.00 0.00 H new ATOM 0 HA ASP A 32 7.380 0.982 -12.990 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.556 0.564 -10.632 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.165 2.179 -10.937 1.00 0.00 H new ATOM 496 N LEU A 33 8.398 0.764 -9.842 1.00 0.00 N ATOM 497 CA LEU A 33 9.473 1.143 -8.932 1.00 0.00 C ATOM 498 C LEU A 33 10.820 0.635 -9.439 1.00 0.00 C ATOM 499 O LEU A 33 11.869 1.179 -9.094 1.00 0.00 O ATOM 500 CB LEU A 33 9.202 0.590 -7.532 1.00 0.00 C ATOM 501 CG LEU A 33 8.055 1.248 -6.763 1.00 0.00 C ATOM 502 CD1 LEU A 33 7.966 0.684 -5.353 1.00 0.00 C ATOM 503 CD2 LEU A 33 8.234 2.758 -6.725 1.00 0.00 C ATOM 0 H LEU A 33 7.640 0.241 -9.404 1.00 0.00 H new ATOM 0 HA LEU A 33 9.509 2.231 -8.886 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.991 -0.476 -7.618 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.113 0.688 -6.941 1.00 0.00 H new ATOM 0 HG LEU A 33 7.122 1.027 -7.281 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.145 1.164 -4.820 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.789 -0.390 -5.401 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.901 0.874 -4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.409 3.208 -6.174 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.175 3.001 -6.231 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.247 3.149 -7.743 1.00 0.00 H new ATOM 515 N ASN A 34 10.782 -0.409 -10.260 1.00 0.00 N ATOM 516 CA ASN A 34 12.000 -0.989 -10.816 1.00 0.00 C ATOM 517 C ASN A 34 12.786 -1.732 -9.742 1.00 0.00 C ATOM 518 O ASN A 34 14.019 -1.733 -9.747 1.00 0.00 O ATOM 519 CB ASN A 34 12.871 0.104 -11.439 1.00 0.00 C ATOM 520 CG ASN A 34 13.903 -0.457 -12.399 1.00 0.00 C ATOM 521 OD1 ASN A 34 15.058 -0.670 -12.032 1.00 0.00 O ATOM 522 ND2 ASN A 34 13.488 -0.700 -13.637 1.00 0.00 N ATOM 0 H ASN A 34 9.922 -0.871 -10.555 1.00 0.00 H new ATOM 0 HA ASN A 34 11.715 -1.701 -11.590 1.00 0.00 H new ATOM 0 HB2 ASN A 34 12.235 0.814 -11.967 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.377 0.657 -10.648 1.00 0.00 H new ATOM 0 HD21 ASN A 34 14.137 -1.079 -14.327 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.521 -0.508 -13.898 1.00 0.00 H new ATOM 529 N LEU A 35 12.069 -2.365 -8.821 1.00 0.00 N ATOM 530 CA LEU A 35 12.699 -3.115 -7.739 1.00 0.00 C ATOM 531 C LEU A 35 13.314 -4.410 -8.261 1.00 0.00 C ATOM 532 O LEU A 35 13.078 -4.804 -9.403 1.00 0.00 O ATOM 533 CB LEU A 35 11.677 -3.426 -6.644 1.00 0.00 C ATOM 534 CG LEU A 35 10.769 -2.269 -6.226 1.00 0.00 C ATOM 535 CD1 LEU A 35 9.608 -2.779 -5.387 1.00 0.00 C ATOM 536 CD2 LEU A 35 11.562 -1.218 -5.461 1.00 0.00 C ATOM 0 H LEU A 35 11.049 -2.374 -8.801 1.00 0.00 H new ATOM 0 HA LEU A 35 13.495 -2.500 -7.319 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.049 -4.250 -6.984 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.214 -3.777 -5.763 1.00 0.00 H new ATOM 0 HG LEU A 35 10.364 -1.806 -7.126 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.972 -1.942 -5.098 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.025 -3.494 -5.968 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.993 -3.268 -4.492 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.900 -0.402 -5.171 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.995 -1.668 -4.568 1.00 0.00 H new ATOM 0 HD23 LEU A 35 12.359 -0.831 -6.095 1.00 0.00 H new ATOM 548 N GLU A 36 14.100 -5.068 -7.415 1.00 0.00 N ATOM 549 CA GLU A 36 14.746 -6.321 -7.791 1.00 0.00 C ATOM 550 C GLU A 36 13.943 -7.519 -7.294 1.00 0.00 C ATOM 551 O GLU A 36 14.051 -7.913 -6.132 1.00 0.00 O ATOM 552 CB GLU A 36 16.167 -6.376 -7.227 1.00 0.00 C ATOM 553 CG GLU A 36 17.157 -5.506 -7.984 1.00 0.00 C ATOM 554 CD GLU A 36 18.389 -5.174 -7.164 1.00 0.00 C ATOM 555 OE1 GLU A 36 19.276 -6.043 -7.047 1.00 0.00 O ATOM 556 OE2 GLU A 36 18.463 -4.042 -6.639 1.00 0.00 O ATOM 0 H GLU A 36 14.305 -4.755 -6.466 1.00 0.00 H new ATOM 0 HA GLU A 36 14.792 -6.364 -8.879 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.147 -6.064 -6.183 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.516 -7.408 -7.245 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.460 -6.018 -8.897 1.00 0.00 H new ATOM 0 HG3 GLU A 36 16.666 -4.581 -8.285 1.00 0.00 H new ATOM 563 N ARG A 37 13.136 -8.092 -8.180 1.00 0.00 N ATOM 564 CA ARG A 37 12.312 -9.244 -7.831 1.00 0.00 C ATOM 565 C ARG A 37 13.043 -10.158 -6.851 1.00 0.00 C ATOM 566 O ARG A 37 12.419 -10.821 -6.024 1.00 0.00 O ATOM 567 CB ARG A 37 11.934 -10.027 -9.090 1.00 0.00 C ATOM 568 CG ARG A 37 11.102 -9.225 -10.078 1.00 0.00 C ATOM 569 CD ARG A 37 10.611 -10.094 -11.225 1.00 0.00 C ATOM 570 NE ARG A 37 9.460 -9.504 -11.905 1.00 0.00 N ATOM 571 CZ ARG A 37 9.557 -8.536 -12.810 1.00 0.00 C ATOM 572 NH1 ARG A 37 10.747 -8.053 -13.142 1.00 0.00 N ATOM 573 NH2 ARG A 37 8.465 -8.050 -13.384 1.00 0.00 N ATOM 0 H ARG A 37 13.035 -7.778 -9.145 1.00 0.00 H new ATOM 0 HA ARG A 37 11.404 -8.878 -7.352 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.845 -10.365 -9.585 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.379 -10.919 -8.800 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.249 -8.784 -9.563 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.697 -8.401 -10.473 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.420 -10.240 -11.941 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.341 -11.079 -10.844 1.00 0.00 H new ATOM 0 HE ARG A 37 8.531 -9.855 -11.672 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.589 -8.425 -12.702 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.820 -7.310 -13.837 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.548 -8.419 -13.131 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.542 -7.307 -14.078 1.00 0.00 H new ATOM 587 N ASP A 38 14.367 -10.186 -6.952 1.00 0.00 N ATOM 588 CA ASP A 38 15.183 -11.018 -6.074 1.00 0.00 C ATOM 589 C ASP A 38 15.588 -10.249 -4.820 1.00 0.00 C ATOM 590 O ASP A 38 15.420 -10.735 -3.702 1.00 0.00 O ATOM 591 CB ASP A 38 16.430 -11.505 -6.814 1.00 0.00 C ATOM 592 CG ASP A 38 17.080 -12.693 -6.131 1.00 0.00 C ATOM 593 OD1 ASP A 38 17.120 -12.712 -4.884 1.00 0.00 O ATOM 594 OD2 ASP A 38 17.547 -13.605 -6.845 1.00 0.00 O ATOM 0 H ASP A 38 14.898 -9.643 -7.632 1.00 0.00 H new ATOM 0 HA ASP A 38 14.588 -11.880 -5.773 1.00 0.00 H new ATOM 0 HB2 ASP A 38 16.160 -11.779 -7.834 1.00 0.00 H new ATOM 0 HB3 ASP A 38 17.150 -10.690 -6.882 1.00 0.00 H new ATOM 599 N ASN A 39 16.123 -9.048 -5.014 1.00 0.00 N ATOM 600 CA ASN A 39 16.554 -8.215 -3.899 1.00 0.00 C ATOM 601 C ASN A 39 15.420 -7.312 -3.425 1.00 0.00 C ATOM 602 O ASN A 39 15.636 -6.144 -3.102 1.00 0.00 O ATOM 603 CB ASN A 39 17.760 -7.365 -4.305 1.00 0.00 C ATOM 604 CG ASN A 39 18.686 -7.080 -3.138 1.00 0.00 C ATOM 605 OD1 ASN A 39 19.865 -7.433 -3.167 1.00 0.00 O ATOM 606 ND2 ASN A 39 18.154 -6.437 -2.105 1.00 0.00 N ATOM 0 H ASN A 39 16.268 -8.630 -5.933 1.00 0.00 H new ATOM 0 HA ASN A 39 16.841 -8.872 -3.078 1.00 0.00 H new ATOM 0 HB2 ASN A 39 18.316 -7.879 -5.089 1.00 0.00 H new ATOM 0 HB3 ASN A 39 17.411 -6.423 -4.727 1.00 0.00 H new ATOM 0 HD21 ASN A 39 18.728 -6.216 -1.291 1.00 0.00 H new ATOM 0 HD22 ASN A 39 17.171 -6.164 -2.125 1.00 0.00 H new ATOM 613 N GLN A 40 14.210 -7.862 -3.384 1.00 0.00 N ATOM 614 CA GLN A 40 13.041 -7.106 -2.949 1.00 0.00 C ATOM 615 C GLN A 40 12.879 -7.179 -1.435 1.00 0.00 C ATOM 616 O GLN A 40 12.161 -6.376 -0.840 1.00 0.00 O ATOM 617 CB GLN A 40 11.781 -7.636 -3.636 1.00 0.00 C ATOM 618 CG GLN A 40 11.411 -6.877 -4.900 1.00 0.00 C ATOM 619 CD GLN A 40 10.348 -7.585 -5.717 1.00 0.00 C ATOM 620 OE1 GLN A 40 9.747 -8.559 -5.263 1.00 0.00 O ATOM 621 NE2 GLN A 40 10.111 -7.098 -6.928 1.00 0.00 N ATOM 0 H GLN A 40 14.014 -8.828 -3.647 1.00 0.00 H new ATOM 0 HA GLN A 40 13.188 -6.063 -3.230 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.927 -8.687 -3.883 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.947 -7.586 -2.935 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.054 -5.883 -4.631 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.303 -6.741 -5.512 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.633 -6.289 -7.263 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.406 -7.533 -7.524 1.00 0.00 H new ATOM 630 N GLU A 41 13.551 -8.147 -0.818 1.00 0.00 N ATOM 631 CA GLU A 41 13.479 -8.323 0.628 1.00 0.00 C ATOM 632 C GLU A 41 14.109 -7.138 1.353 1.00 0.00 C ATOM 633 O GLU A 41 13.565 -6.642 2.339 1.00 0.00 O ATOM 634 CB GLU A 41 14.179 -9.619 1.041 1.00 0.00 C ATOM 635 CG GLU A 41 13.905 -10.028 2.478 1.00 0.00 C ATOM 636 CD GLU A 41 12.441 -10.333 2.729 1.00 0.00 C ATOM 637 OE1 GLU A 41 11.838 -11.058 1.910 1.00 0.00 O ATOM 638 OE2 GLU A 41 11.899 -9.847 3.743 1.00 0.00 O ATOM 0 H GLU A 41 14.150 -8.820 -1.296 1.00 0.00 H new ATOM 0 HA GLU A 41 12.428 -8.381 0.909 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.860 -10.422 0.377 1.00 0.00 H new ATOM 0 HB3 GLU A 41 15.254 -9.501 0.905 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.502 -10.907 2.722 1.00 0.00 H new ATOM 0 HG3 GLU A 41 14.226 -9.229 3.147 1.00 0.00 H new ATOM 645 N GLN A 42 15.258 -6.691 0.856 1.00 0.00 N ATOM 646 CA GLN A 42 15.962 -5.565 1.458 1.00 0.00 C ATOM 647 C GLN A 42 15.040 -4.359 1.601 1.00 0.00 C ATOM 648 O GLN A 42 15.067 -3.660 2.614 1.00 0.00 O ATOM 649 CB GLN A 42 17.184 -5.191 0.616 1.00 0.00 C ATOM 650 CG GLN A 42 16.876 -4.201 -0.495 1.00 0.00 C ATOM 651 CD GLN A 42 18.070 -3.940 -1.391 1.00 0.00 C ATOM 652 OE1 GLN A 42 19.175 -3.674 -0.913 1.00 0.00 O ATOM 653 NE2 GLN A 42 17.858 -4.016 -2.700 1.00 0.00 N ATOM 0 H GLN A 42 15.720 -7.091 0.039 1.00 0.00 H new ATOM 0 HA GLN A 42 16.293 -5.866 2.452 1.00 0.00 H new ATOM 0 HB2 GLN A 42 17.948 -4.767 1.268 1.00 0.00 H new ATOM 0 HB3 GLN A 42 17.605 -6.096 0.178 1.00 0.00 H new ATOM 0 HG2 GLN A 42 16.051 -4.582 -1.097 1.00 0.00 H new ATOM 0 HG3 GLN A 42 16.543 -3.260 -0.056 1.00 0.00 H new ATOM 0 HE21 GLN A 42 16.928 -4.239 -3.054 1.00 0.00 H new ATOM 0 HE22 GLN A 42 18.626 -3.851 -3.351 1.00 0.00 H new ATOM 662 N TYR A 43 14.226 -4.120 0.579 1.00 0.00 N ATOM 663 CA TYR A 43 13.297 -2.996 0.589 1.00 0.00 C ATOM 664 C TYR A 43 12.216 -3.192 1.647 1.00 0.00 C ATOM 665 O TYR A 43 11.686 -4.291 1.816 1.00 0.00 O ATOM 666 CB TYR A 43 12.653 -2.826 -0.788 1.00 0.00 C ATOM 667 CG TYR A 43 13.626 -2.395 -1.862 1.00 0.00 C ATOM 668 CD1 TYR A 43 14.352 -1.217 -1.736 1.00 0.00 C ATOM 669 CD2 TYR A 43 13.818 -3.164 -3.003 1.00 0.00 C ATOM 670 CE1 TYR A 43 15.242 -0.818 -2.715 1.00 0.00 C ATOM 671 CE2 TYR A 43 14.707 -2.774 -3.986 1.00 0.00 C ATOM 672 CZ TYR A 43 15.416 -1.600 -3.838 1.00 0.00 C ATOM 673 OH TYR A 43 16.301 -1.207 -4.816 1.00 0.00 O ATOM 0 H TYR A 43 14.190 -4.689 -0.267 1.00 0.00 H new ATOM 0 HA TYR A 43 13.860 -2.095 0.833 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.193 -3.769 -1.084 1.00 0.00 H new ATOM 0 HB3 TYR A 43 11.853 -2.089 -0.717 1.00 0.00 H new ATOM 0 HD1 TYR A 43 14.218 -0.603 -0.858 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.263 -4.082 -3.124 1.00 0.00 H new ATOM 0 HE1 TYR A 43 15.798 0.101 -2.602 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.846 -3.385 -4.866 1.00 0.00 H new ATOM 0 HH TYR A 43 16.306 -1.869 -5.538 1.00 0.00 H new ATOM 683 N THR A 44 11.892 -2.117 2.359 1.00 0.00 N ATOM 684 CA THR A 44 10.875 -2.169 3.402 1.00 0.00 C ATOM 685 C THR A 44 9.806 -1.106 3.181 1.00 0.00 C ATOM 686 O THR A 44 9.969 -0.207 2.354 1.00 0.00 O ATOM 687 CB THR A 44 11.493 -1.976 4.800 1.00 0.00 C ATOM 688 OG1 THR A 44 12.071 -0.670 4.904 1.00 0.00 O ATOM 689 CG2 THR A 44 12.555 -3.030 5.073 1.00 0.00 C ATOM 0 H THR A 44 12.319 -1.200 2.232 1.00 0.00 H new ATOM 0 HA THR A 44 10.418 -3.157 3.348 1.00 0.00 H new ATOM 0 HB THR A 44 10.701 -2.082 5.541 1.00 0.00 H new ATOM 0 HG1 THR A 44 12.460 -0.555 5.796 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.977 -2.873 6.066 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.105 -4.022 5.023 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.345 -2.952 4.327 1.00 0.00 H new ATOM 697 N THR A 45 8.709 -1.212 3.925 1.00 0.00 N ATOM 698 CA THR A 45 7.612 -0.259 3.809 1.00 0.00 C ATOM 699 C THR A 45 8.130 1.174 3.768 1.00 0.00 C ATOM 700 O THR A 45 7.476 2.065 3.224 1.00 0.00 O ATOM 701 CB THR A 45 6.619 -0.401 4.978 1.00 0.00 C ATOM 702 OG1 THR A 45 7.292 -0.176 6.222 1.00 0.00 O ATOM 703 CG2 THR A 45 5.982 -1.783 4.983 1.00 0.00 C ATOM 0 H THR A 45 8.557 -1.948 4.614 1.00 0.00 H new ATOM 0 HA THR A 45 7.097 -0.482 2.875 1.00 0.00 H new ATOM 0 HB THR A 45 5.833 0.343 4.850 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.964 -0.812 6.891 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.285 -1.859 5.817 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.446 -1.940 4.047 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.758 -2.541 5.088 1.00 0.00 H new ATOM 711 N ILE A 46 9.307 1.390 4.345 1.00 0.00 N ATOM 712 CA ILE A 46 9.913 2.715 4.373 1.00 0.00 C ATOM 713 C ILE A 46 10.507 3.076 3.016 1.00 0.00 C ATOM 714 O ILE A 46 10.039 4.000 2.350 1.00 0.00 O ATOM 715 CB ILE A 46 11.016 2.807 5.445 1.00 0.00 C ATOM 716 CG1 ILE A 46 10.400 2.784 6.845 1.00 0.00 C ATOM 717 CG2 ILE A 46 11.843 4.068 5.245 1.00 0.00 C ATOM 718 CD1 ILE A 46 9.418 3.908 7.092 1.00 0.00 C ATOM 0 H ILE A 46 9.860 0.664 4.800 1.00 0.00 H new ATOM 0 HA ILE A 46 9.119 3.420 4.619 1.00 0.00 H new ATOM 0 HB ILE A 46 11.674 1.944 5.344 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.893 1.831 6.995 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.198 2.841 7.585 1.00 0.00 H new ATOM 0 HG21 ILE A 46 12.618 4.120 6.009 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.307 4.046 4.259 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.197 4.943 5.323 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.021 3.829 8.104 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.925 4.866 6.975 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.600 3.840 6.375 1.00 0.00 H new ATOM 730 N GLN A 47 11.537 2.340 2.612 1.00 0.00 N ATOM 731 CA GLN A 47 12.193 2.583 1.333 1.00 0.00 C ATOM 732 C GLN A 47 11.173 2.640 0.200 1.00 0.00 C ATOM 733 O GLN A 47 11.156 3.590 -0.585 1.00 0.00 O ATOM 734 CB GLN A 47 13.226 1.490 1.050 1.00 0.00 C ATOM 735 CG GLN A 47 14.310 1.390 2.110 1.00 0.00 C ATOM 736 CD GLN A 47 15.624 0.878 1.555 1.00 0.00 C ATOM 737 OE1 GLN A 47 16.104 1.353 0.526 1.00 0.00 O ATOM 738 NE2 GLN A 47 16.214 -0.099 2.235 1.00 0.00 N ATOM 0 H GLN A 47 11.935 1.571 3.151 1.00 0.00 H new ATOM 0 HA GLN A 47 12.700 3.546 1.390 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.715 0.530 0.972 1.00 0.00 H new ATOM 0 HB3 GLN A 47 13.691 1.683 0.083 1.00 0.00 H new ATOM 0 HG2 GLN A 47 14.467 2.372 2.557 1.00 0.00 H new ATOM 0 HG3 GLN A 47 13.973 0.727 2.907 1.00 0.00 H new ATOM 0 HE21 GLN A 47 15.781 -0.463 3.084 1.00 0.00 H new ATOM 0 HE22 GLN A 47 17.100 -0.485 1.909 1.00 0.00 H new ATOM 747 N ILE A 48 10.327 1.619 0.120 1.00 0.00 N ATOM 748 CA ILE A 48 9.304 1.555 -0.916 1.00 0.00 C ATOM 749 C ILE A 48 8.424 2.800 -0.899 1.00 0.00 C ATOM 750 O ILE A 48 8.110 3.366 -1.945 1.00 0.00 O ATOM 751 CB ILE A 48 8.414 0.309 -0.752 1.00 0.00 C ATOM 752 CG1 ILE A 48 9.257 -0.964 -0.852 1.00 0.00 C ATOM 753 CG2 ILE A 48 7.312 0.304 -1.800 1.00 0.00 C ATOM 754 CD1 ILE A 48 9.995 -1.098 -2.166 1.00 0.00 C ATOM 0 H ILE A 48 10.330 0.825 0.760 1.00 0.00 H new ATOM 0 HA ILE A 48 9.826 1.496 -1.871 1.00 0.00 H new ATOM 0 HB ILE A 48 7.951 0.339 0.234 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.979 -0.977 -0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.609 -1.830 -0.718 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.691 -0.583 -1.671 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.697 1.197 -1.686 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.756 0.294 -2.795 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.572 -2.023 -2.167 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.277 -1.117 -2.986 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.668 -0.250 -2.293 1.00 0.00 H new ATOM 766 N ALA A 49 8.029 3.222 0.298 1.00 0.00 N ATOM 767 CA ALA A 49 7.189 4.403 0.453 1.00 0.00 C ATOM 768 C ALA A 49 7.799 5.608 -0.255 1.00 0.00 C ATOM 769 O ALA A 49 7.213 6.151 -1.191 1.00 0.00 O ATOM 770 CB ALA A 49 6.973 4.709 1.928 1.00 0.00 C ATOM 0 H ALA A 49 8.277 2.763 1.174 1.00 0.00 H new ATOM 0 HA ALA A 49 6.224 4.194 -0.008 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.344 5.594 2.028 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.485 3.861 2.408 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.935 4.892 2.406 1.00 0.00 H new ATOM 776 N ASN A 50 8.977 6.021 0.199 1.00 0.00 N ATOM 777 CA ASN A 50 9.666 7.164 -0.391 1.00 0.00 C ATOM 778 C ASN A 50 9.683 7.062 -1.913 1.00 0.00 C ATOM 779 O ASN A 50 9.329 8.011 -2.612 1.00 0.00 O ATOM 780 CB ASN A 50 11.098 7.253 0.141 1.00 0.00 C ATOM 781 CG ASN A 50 11.150 7.706 1.587 1.00 0.00 C ATOM 782 OD1 ASN A 50 10.970 8.887 1.885 1.00 0.00 O ATOM 783 ND2 ASN A 50 11.400 6.768 2.493 1.00 0.00 N ATOM 0 H ASN A 50 9.475 5.582 0.973 1.00 0.00 H new ATOM 0 HA ASN A 50 9.124 8.067 -0.111 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.577 6.278 0.051 1.00 0.00 H new ATOM 0 HB3 ASN A 50 11.669 7.947 -0.475 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.449 7.014 3.482 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.543 5.801 2.200 1.00 0.00 H new ATOM 790 N MET A 51 10.095 5.905 -2.418 1.00 0.00 N ATOM 791 CA MET A 51 10.154 5.678 -3.858 1.00 0.00 C ATOM 792 C MET A 51 8.822 6.017 -4.519 1.00 0.00 C ATOM 793 O MET A 51 8.786 6.538 -5.633 1.00 0.00 O ATOM 794 CB MET A 51 10.527 4.224 -4.152 1.00 0.00 C ATOM 795 CG MET A 51 12.027 3.980 -4.206 1.00 0.00 C ATOM 796 SD MET A 51 12.465 2.564 -5.231 1.00 0.00 S ATOM 797 CE MET A 51 12.895 1.358 -3.978 1.00 0.00 C ATOM 0 H MET A 51 10.393 5.110 -1.853 1.00 0.00 H new ATOM 0 HA MET A 51 10.921 6.333 -4.272 1.00 0.00 H new ATOM 0 HB2 MET A 51 10.090 3.583 -3.386 1.00 0.00 H new ATOM 0 HB3 MET A 51 10.085 3.929 -5.104 1.00 0.00 H new ATOM 0 HG2 MET A 51 12.522 4.871 -4.593 1.00 0.00 H new ATOM 0 HG3 MET A 51 12.402 3.821 -3.195 1.00 0.00 H new ATOM 0 HE1 MET A 51 13.435 0.531 -4.439 1.00 0.00 H new ATOM 0 HE2 MET A 51 13.526 1.827 -3.223 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.986 0.981 -3.508 1.00 0.00 H new ATOM 807 N MET A 52 7.730 5.718 -3.823 1.00 0.00 N ATOM 808 CA MET A 52 6.395 5.993 -4.343 1.00 0.00 C ATOM 809 C MET A 52 6.073 7.482 -4.255 1.00 0.00 C ATOM 810 O MET A 52 5.474 8.050 -5.168 1.00 0.00 O ATOM 811 CB MET A 52 5.348 5.187 -3.570 1.00 0.00 C ATOM 812 CG MET A 52 5.393 3.696 -3.861 1.00 0.00 C ATOM 813 SD MET A 52 3.920 2.831 -3.284 1.00 0.00 S ATOM 814 CE MET A 52 2.921 2.833 -4.771 1.00 0.00 C ATOM 0 H MET A 52 7.743 5.286 -2.899 1.00 0.00 H new ATOM 0 HA MET A 52 6.372 5.696 -5.391 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.496 5.345 -2.502 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.356 5.567 -3.814 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.503 3.542 -4.935 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.273 3.263 -3.386 1.00 0.00 H new ATOM 0 HE1 MET A 52 1.908 2.512 -4.529 1.00 0.00 H new ATOM 0 HE2 MET A 52 2.892 3.839 -5.189 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.354 2.149 -5.501 1.00 0.00 H new ATOM 824 N GLU A 53 6.475 8.107 -3.153 1.00 0.00 N ATOM 825 CA GLU A 53 6.228 9.529 -2.948 1.00 0.00 C ATOM 826 C GLU A 53 6.653 10.337 -4.171 1.00 0.00 C ATOM 827 O GLU A 53 5.951 11.254 -4.597 1.00 0.00 O ATOM 828 CB GLU A 53 6.975 10.026 -1.710 1.00 0.00 C ATOM 829 CG GLU A 53 6.208 9.826 -0.414 1.00 0.00 C ATOM 830 CD GLU A 53 6.932 10.402 0.788 1.00 0.00 C ATOM 831 OE1 GLU A 53 7.921 9.784 1.236 1.00 0.00 O ATOM 832 OE2 GLU A 53 6.510 11.468 1.280 1.00 0.00 O ATOM 0 H GLU A 53 6.973 7.651 -2.389 1.00 0.00 H new ATOM 0 HA GLU A 53 5.157 9.667 -2.797 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.931 9.507 -1.640 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.196 11.086 -1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.227 10.294 -0.501 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.040 8.761 -0.256 1.00 0.00 H new ATOM 839 N GLU A 54 7.806 9.987 -4.732 1.00 0.00 N ATOM 840 CA GLU A 54 8.325 10.681 -5.905 1.00 0.00 C ATOM 841 C GLU A 54 7.729 10.105 -7.186 1.00 0.00 C ATOM 842 O GLU A 54 7.329 10.844 -8.086 1.00 0.00 O ATOM 843 CB GLU A 54 9.852 10.581 -5.951 1.00 0.00 C ATOM 844 CG GLU A 54 10.388 9.245 -5.465 1.00 0.00 C ATOM 845 CD GLU A 54 11.858 9.054 -5.787 1.00 0.00 C ATOM 846 OE1 GLU A 54 12.692 9.767 -5.191 1.00 0.00 O ATOM 847 OE2 GLU A 54 12.173 8.194 -6.635 1.00 0.00 O ATOM 0 H GLU A 54 8.398 9.228 -4.394 1.00 0.00 H new ATOM 0 HA GLU A 54 8.038 11.730 -5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.188 10.748 -6.974 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.279 11.378 -5.342 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.243 9.170 -4.387 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.812 8.439 -5.921 1.00 0.00 H new ATOM 854 N LYS A 55 7.671 8.780 -7.261 1.00 0.00 N ATOM 855 CA LYS A 55 7.124 8.102 -8.430 1.00 0.00 C ATOM 856 C LYS A 55 5.708 8.588 -8.727 1.00 0.00 C ATOM 857 O LYS A 55 5.452 9.179 -9.776 1.00 0.00 O ATOM 858 CB LYS A 55 7.119 6.587 -8.211 1.00 0.00 C ATOM 859 CG LYS A 55 6.717 5.796 -9.444 1.00 0.00 C ATOM 860 CD LYS A 55 7.822 5.787 -10.487 1.00 0.00 C ATOM 861 CE LYS A 55 7.692 4.599 -11.427 1.00 0.00 C ATOM 862 NZ LYS A 55 8.442 4.813 -12.696 1.00 0.00 N ATOM 0 H LYS A 55 7.997 8.153 -6.525 1.00 0.00 H new ATOM 0 HA LYS A 55 7.758 8.337 -9.285 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.113 6.271 -7.895 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.434 6.348 -7.397 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.477 4.772 -9.158 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.813 6.227 -9.875 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.788 6.712 -11.062 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.792 5.755 -9.991 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.063 3.702 -10.932 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.639 4.427 -11.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.329 3.982 -13.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.071 5.655 -13.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.451 4.952 -12.484 1.00 0.00 H new ATOM 876 N PHE A 56 4.794 8.338 -7.796 1.00 0.00 N ATOM 877 CA PHE A 56 3.405 8.750 -7.958 1.00 0.00 C ATOM 878 C PHE A 56 3.059 9.883 -6.997 1.00 0.00 C ATOM 879 O PHE A 56 2.527 9.667 -5.907 1.00 0.00 O ATOM 880 CB PHE A 56 2.468 7.564 -7.725 1.00 0.00 C ATOM 881 CG PHE A 56 3.065 6.242 -8.116 1.00 0.00 C ATOM 882 CD1 PHE A 56 3.785 5.494 -7.201 1.00 0.00 C ATOM 883 CD2 PHE A 56 2.905 5.748 -9.401 1.00 0.00 C ATOM 884 CE1 PHE A 56 4.335 4.277 -7.558 1.00 0.00 C ATOM 885 CE2 PHE A 56 3.452 4.533 -9.764 1.00 0.00 C ATOM 886 CZ PHE A 56 4.169 3.797 -8.841 1.00 0.00 C ATOM 0 H PHE A 56 4.990 7.852 -6.921 1.00 0.00 H new ATOM 0 HA PHE A 56 3.276 9.110 -8.979 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.192 7.531 -6.671 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.550 7.720 -8.291 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.919 5.866 -6.196 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.346 6.320 -10.127 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.894 3.703 -6.834 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.319 4.159 -10.768 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.599 2.847 -9.123 1.00 0.00 H new ATOM 896 N PRO A 57 3.368 11.122 -7.408 1.00 0.00 N ATOM 897 CA PRO A 57 3.098 12.315 -6.599 1.00 0.00 C ATOM 898 C PRO A 57 1.607 12.617 -6.489 1.00 0.00 C ATOM 899 O PRO A 57 1.202 13.536 -5.779 1.00 0.00 O ATOM 900 CB PRO A 57 3.816 13.431 -7.362 1.00 0.00 C ATOM 901 CG PRO A 57 3.871 12.950 -8.771 1.00 0.00 C ATOM 902 CD PRO A 57 4.003 11.455 -8.693 1.00 0.00 C ATOM 0 HA PRO A 57 3.439 12.196 -5.571 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.275 14.374 -7.286 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.816 13.604 -6.963 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.971 13.234 -9.316 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.716 13.389 -9.301 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.503 10.964 -9.527 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.047 11.142 -8.718 1.00 0.00 H new ATOM 910 N ALA A 58 0.797 11.838 -7.198 1.00 0.00 N ATOM 911 CA ALA A 58 -0.649 12.021 -7.178 1.00 0.00 C ATOM 912 C ALA A 58 -1.254 11.469 -5.892 1.00 0.00 C ATOM 913 O ALA A 58 -1.952 12.180 -5.168 1.00 0.00 O ATOM 914 CB ALA A 58 -1.282 11.354 -8.390 1.00 0.00 C ATOM 0 H ALA A 58 1.117 11.074 -7.793 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.856 13.091 -7.216 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.362 11.499 -8.362 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.880 11.798 -9.301 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.058 10.287 -8.377 1.00 0.00 H new ATOM 920 N ASP A 59 -0.985 10.198 -5.615 1.00 0.00 N ATOM 921 CA ASP A 59 -1.503 9.551 -4.415 1.00 0.00 C ATOM 922 C ASP A 59 -0.367 9.150 -3.480 1.00 0.00 C ATOM 923 O ASP A 59 -0.601 8.741 -2.343 1.00 0.00 O ATOM 924 CB ASP A 59 -2.330 8.321 -4.790 1.00 0.00 C ATOM 925 CG ASP A 59 -3.002 8.465 -6.142 1.00 0.00 C ATOM 926 OD1 ASP A 59 -2.284 8.673 -7.143 1.00 0.00 O ATOM 927 OD2 ASP A 59 -4.246 8.368 -6.199 1.00 0.00 O ATOM 0 H ASP A 59 -0.411 9.595 -6.205 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.142 10.264 -3.895 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.685 7.442 -4.800 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.089 8.151 -4.027 1.00 0.00 H new ATOM 932 N SER A 60 0.864 9.267 -3.967 1.00 0.00 N ATOM 933 CA SER A 60 2.036 8.912 -3.178 1.00 0.00 C ATOM 934 C SER A 60 2.033 7.425 -2.838 1.00 0.00 C ATOM 935 O SER A 60 2.581 7.008 -1.819 1.00 0.00 O ATOM 936 CB SER A 60 2.081 9.740 -1.891 1.00 0.00 C ATOM 937 OG SER A 60 1.611 11.058 -2.116 1.00 0.00 O ATOM 0 H SER A 60 1.075 9.605 -4.906 1.00 0.00 H new ATOM 0 HA SER A 60 2.923 9.129 -3.774 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.473 9.260 -1.124 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.103 9.774 -1.512 1.00 0.00 H new ATOM 0 HG SER A 60 1.648 11.566 -1.279 1.00 0.00 H new ATOM 943 N GLY A 61 1.409 6.629 -3.701 1.00 0.00 N ATOM 944 CA GLY A 61 1.343 5.197 -3.476 1.00 0.00 C ATOM 945 C GLY A 61 0.138 4.793 -2.651 1.00 0.00 C ATOM 946 O GLY A 61 0.010 3.636 -2.249 1.00 0.00 O ATOM 0 H GLY A 61 0.948 6.951 -4.552 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.310 4.683 -4.437 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.251 4.870 -2.970 1.00 0.00 H new ATOM 950 N LEU A 62 -0.749 5.749 -2.396 1.00 0.00 N ATOM 951 CA LEU A 62 -1.951 5.487 -1.612 1.00 0.00 C ATOM 952 C LEU A 62 -2.963 4.681 -2.419 1.00 0.00 C ATOM 953 O LEU A 62 -3.560 3.731 -1.913 1.00 0.00 O ATOM 954 CB LEU A 62 -2.581 6.804 -1.153 1.00 0.00 C ATOM 955 CG LEU A 62 -4.006 6.712 -0.606 1.00 0.00 C ATOM 956 CD1 LEU A 62 -4.051 5.807 0.615 1.00 0.00 C ATOM 957 CD2 LEU A 62 -4.537 8.097 -0.266 1.00 0.00 C ATOM 0 H LEU A 62 -0.658 6.712 -2.721 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.664 4.903 -0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.945 7.239 -0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.580 7.497 -1.995 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.644 6.280 -1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.073 5.753 0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.713 4.808 0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.400 6.210 1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.552 8.012 0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.898 8.557 0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.542 8.715 -1.164 1.00 0.00 H new ATOM 969 N GLY A 63 -3.150 5.065 -3.677 1.00 0.00 N ATOM 970 CA GLY A 63 -4.089 4.365 -4.535 1.00 0.00 C ATOM 971 C GLY A 63 -3.628 2.961 -4.874 1.00 0.00 C ATOM 972 O GLY A 63 -4.373 1.996 -4.697 1.00 0.00 O ATOM 0 H GLY A 63 -2.668 5.848 -4.118 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.060 4.316 -4.042 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.227 4.931 -5.456 1.00 0.00 H new ATOM 976 N LYS A 64 -2.400 2.845 -5.364 1.00 0.00 N ATOM 977 CA LYS A 64 -1.840 1.548 -5.730 1.00 0.00 C ATOM 978 C LYS A 64 -1.972 0.555 -4.580 1.00 0.00 C ATOM 979 O LYS A 64 -2.137 -0.646 -4.800 1.00 0.00 O ATOM 980 CB LYS A 64 -0.368 1.697 -6.122 1.00 0.00 C ATOM 981 CG LYS A 64 0.131 0.596 -7.041 1.00 0.00 C ATOM 982 CD LYS A 64 -0.281 0.844 -8.483 1.00 0.00 C ATOM 983 CE LYS A 64 0.708 1.753 -9.197 1.00 0.00 C ATOM 984 NZ LYS A 64 0.381 3.192 -9.000 1.00 0.00 N ATOM 0 H LYS A 64 -1.772 3.634 -5.518 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.400 1.166 -6.583 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.227 2.660 -6.613 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.241 1.708 -5.218 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.217 0.532 -6.978 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.264 -0.364 -6.709 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.350 -0.107 -9.011 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.273 1.294 -8.507 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.714 1.556 -8.828 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.708 1.523 -10.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.647 3.728 -9.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.640 3.296 -8.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.907 3.559 -8.181 1.00 0.00 H new ATOM 998 N LEU A 65 -1.902 1.063 -3.354 1.00 0.00 N ATOM 999 CA LEU A 65 -2.016 0.219 -2.169 1.00 0.00 C ATOM 1000 C LEU A 65 -3.459 -0.222 -1.952 1.00 0.00 C ATOM 1001 O LEU A 65 -3.737 -1.411 -1.791 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.508 0.968 -0.936 1.00 0.00 C ATOM 1003 CG LEU A 65 -1.464 0.166 0.365 1.00 0.00 C ATOM 1004 CD1 LEU A 65 -2.861 0.015 0.947 1.00 0.00 C ATOM 1005 CD2 LEU A 65 -0.833 -1.198 0.129 1.00 0.00 C ATOM 0 H LEU A 65 -1.767 2.054 -3.155 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.404 -0.669 -2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.504 1.336 -1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.141 1.842 -0.780 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.850 0.709 1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.810 -0.559 1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.278 1.001 1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.499 -0.506 0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.810 -1.755 1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.420 -1.748 -0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.184 -1.069 -0.242 1.00 0.00 H new ATOM 1017 N ILE A 66 -4.374 0.742 -1.952 1.00 0.00 N ATOM 1018 CA ILE A 66 -5.789 0.452 -1.757 1.00 0.00 C ATOM 1019 C ILE A 66 -6.226 -0.740 -2.601 1.00 0.00 C ATOM 1020 O ILE A 66 -6.721 -1.737 -2.076 1.00 0.00 O ATOM 1021 CB ILE A 66 -6.666 1.667 -2.111 1.00 0.00 C ATOM 1022 CG1 ILE A 66 -6.562 2.734 -1.020 1.00 0.00 C ATOM 1023 CG2 ILE A 66 -8.113 1.237 -2.303 1.00 0.00 C ATOM 1024 CD1 ILE A 66 -6.926 4.123 -1.497 1.00 0.00 C ATOM 0 H ILE A 66 -4.160 1.730 -2.085 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.921 0.215 -0.701 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.307 2.095 -3.047 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -7.215 2.460 -0.192 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.544 2.747 -0.632 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.721 2.107 -2.553 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.172 0.509 -3.112 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.484 0.787 -1.382 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.830 4.828 -0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.257 4.417 -2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -7.954 4.126 -1.858 1.00 0.00 H new ATOM 1036 N GLU A 67 -6.039 -0.631 -3.913 1.00 0.00 N ATOM 1037 CA GLU A 67 -6.414 -1.701 -4.830 1.00 0.00 C ATOM 1038 C GLU A 67 -5.851 -3.040 -4.362 1.00 0.00 C ATOM 1039 O GLU A 67 -6.553 -4.051 -4.352 1.00 0.00 O ATOM 1040 CB GLU A 67 -5.914 -1.391 -6.242 1.00 0.00 C ATOM 1041 CG GLU A 67 -6.595 -0.192 -6.880 1.00 0.00 C ATOM 1042 CD GLU A 67 -8.025 -0.482 -7.289 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -8.304 -1.630 -7.695 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -8.866 0.437 -7.205 1.00 0.00 O ATOM 0 H GLU A 67 -5.630 0.187 -4.364 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.502 -1.768 -4.844 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.839 -1.211 -6.206 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.070 -2.265 -6.874 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.584 0.643 -6.179 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.027 0.120 -7.756 1.00 0.00 H new ATOM 1051 N PHE A 68 -4.580 -3.038 -3.975 1.00 0.00 N ATOM 1052 CA PHE A 68 -3.922 -4.252 -3.507 1.00 0.00 C ATOM 1053 C PHE A 68 -4.678 -4.863 -2.331 1.00 0.00 C ATOM 1054 O PHE A 68 -4.683 -6.081 -2.147 1.00 0.00 O ATOM 1055 CB PHE A 68 -2.478 -3.951 -3.100 1.00 0.00 C ATOM 1056 CG PHE A 68 -1.795 -5.101 -2.416 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -1.377 -6.206 -3.140 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -1.572 -5.077 -1.049 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -0.749 -7.265 -2.514 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -0.944 -6.133 -0.417 1.00 0.00 C ATOM 1061 CZ PHE A 68 -0.533 -7.230 -1.150 1.00 0.00 C ATOM 0 H PHE A 68 -3.985 -2.209 -3.976 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.918 -4.971 -4.326 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.908 -3.677 -3.988 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.469 -3.087 -2.436 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.544 -6.240 -4.206 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.893 -4.223 -0.471 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.427 -8.120 -3.090 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.774 -6.101 0.649 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.044 -8.058 -0.658 1.00 0.00 H new ATOM 1071 N CYS A 69 -5.314 -4.008 -1.537 1.00 0.00 N ATOM 1072 CA CYS A 69 -6.072 -4.461 -0.377 1.00 0.00 C ATOM 1073 C CYS A 69 -7.413 -5.053 -0.801 1.00 0.00 C ATOM 1074 O CYS A 69 -7.970 -5.907 -0.114 1.00 0.00 O ATOM 1075 CB CYS A 69 -6.297 -3.302 0.595 1.00 0.00 C ATOM 1076 SG CYS A 69 -4.846 -2.880 1.588 1.00 0.00 S ATOM 0 H CYS A 69 -5.319 -2.998 -1.676 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.494 -5.238 0.123 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -6.606 -2.423 0.030 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.120 -3.557 1.263 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.134 -1.888 2.377 1.00 0.00 H new ATOM 1082 N GLU A 70 -7.925 -4.590 -1.938 1.00 0.00 N ATOM 1083 CA GLU A 70 -9.202 -5.072 -2.451 1.00 0.00 C ATOM 1084 C GLU A 70 -9.117 -6.551 -2.818 1.00 0.00 C ATOM 1085 O GLU A 70 -9.921 -7.361 -2.356 1.00 0.00 O ATOM 1086 CB GLU A 70 -9.626 -4.256 -3.674 1.00 0.00 C ATOM 1087 CG GLU A 70 -9.944 -2.804 -3.356 1.00 0.00 C ATOM 1088 CD GLU A 70 -10.492 -2.051 -4.554 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -11.222 -2.667 -5.357 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -10.188 -0.848 -4.688 1.00 0.00 O ATOM 0 H GLU A 70 -7.476 -3.883 -2.520 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.949 -4.952 -1.666 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.830 -4.290 -4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.503 -4.721 -4.125 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.670 -2.764 -2.544 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.041 -2.307 -3.001 1.00 0.00 H new ATOM 1097 N GLU A 71 -8.140 -6.893 -3.650 1.00 0.00 N ATOM 1098 CA GLU A 71 -7.951 -8.275 -4.079 1.00 0.00 C ATOM 1099 C GLU A 71 -8.072 -9.233 -2.897 1.00 0.00 C ATOM 1100 O GLU A 71 -8.558 -10.354 -3.040 1.00 0.00 O ATOM 1101 CB GLU A 71 -6.586 -8.442 -4.750 1.00 0.00 C ATOM 1102 CG GLU A 71 -5.464 -8.759 -3.775 1.00 0.00 C ATOM 1103 CD GLU A 71 -4.121 -8.909 -4.461 1.00 0.00 C ATOM 1104 OE1 GLU A 71 -3.740 -7.998 -5.227 1.00 0.00 O ATOM 1105 OE2 GLU A 71 -3.449 -9.937 -4.231 1.00 0.00 O ATOM 0 H GLU A 71 -7.467 -6.234 -4.041 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.733 -8.515 -4.800 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.649 -9.240 -5.490 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.341 -7.527 -5.288 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.401 -7.966 -3.030 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.700 -9.680 -3.242 1.00 0.00 H new ATOM 1112 N VAL A 72 -7.623 -8.782 -1.730 1.00 0.00 N ATOM 1113 CA VAL A 72 -7.679 -9.598 -0.523 1.00 0.00 C ATOM 1114 C VAL A 72 -8.850 -9.188 0.363 1.00 0.00 C ATOM 1115 O VAL A 72 -9.009 -8.021 0.723 1.00 0.00 O ATOM 1116 CB VAL A 72 -6.374 -9.492 0.288 1.00 0.00 C ATOM 1117 CG1 VAL A 72 -6.421 -10.412 1.499 1.00 0.00 C ATOM 1118 CG2 VAL A 72 -5.175 -9.815 -0.590 1.00 0.00 C ATOM 0 H VAL A 72 -7.217 -7.856 -1.595 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.814 -10.631 -0.845 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.270 -8.467 0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.490 -10.323 2.060 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.258 -10.130 2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.548 -11.443 1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.261 -9.735 -0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.270 -10.830 -0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.133 -9.112 -1.422 1.00 0.00 H new ATOM 1128 N PRO A 73 -9.690 -10.168 0.724 1.00 0.00 N ATOM 1129 CA PRO A 73 -10.862 -9.934 1.575 1.00 0.00 C ATOM 1130 C PRO A 73 -10.477 -9.599 3.012 1.00 0.00 C ATOM 1131 O PRO A 73 -11.212 -8.908 3.716 1.00 0.00 O ATOM 1132 CB PRO A 73 -11.614 -11.265 1.519 1.00 0.00 C ATOM 1133 CG PRO A 73 -10.566 -12.279 1.208 1.00 0.00 C ATOM 1134 CD PRO A 73 -9.562 -11.581 0.333 1.00 0.00 C ATOM 0 HA PRO A 73 -11.450 -9.083 1.233 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -12.106 -11.482 2.467 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.390 -11.250 0.753 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -10.098 -12.649 2.120 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.996 -13.141 0.698 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.552 -11.955 0.503 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.781 -11.726 -0.725 1.00 0.00 H new ATOM 1142 N ALA A 74 -9.321 -10.095 3.441 1.00 0.00 N ATOM 1143 CA ALA A 74 -8.838 -9.846 4.794 1.00 0.00 C ATOM 1144 C ALA A 74 -8.222 -8.456 4.910 1.00 0.00 C ATOM 1145 O ALA A 74 -7.950 -7.977 6.012 1.00 0.00 O ATOM 1146 CB ALA A 74 -7.827 -10.910 5.196 1.00 0.00 C ATOM 0 H ALA A 74 -8.702 -10.671 2.871 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.689 -9.894 5.473 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.474 -10.713 6.208 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.299 -11.892 5.161 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.983 -10.889 4.507 1.00 0.00 H new ATOM 1152 N LEU A 75 -8.004 -7.814 3.768 1.00 0.00 N ATOM 1153 CA LEU A 75 -7.419 -6.477 3.742 1.00 0.00 C ATOM 1154 C LEU A 75 -8.456 -5.437 3.329 1.00 0.00 C ATOM 1155 O LEU A 75 -8.232 -4.235 3.469 1.00 0.00 O ATOM 1156 CB LEU A 75 -6.230 -6.439 2.780 1.00 0.00 C ATOM 1157 CG LEU A 75 -5.037 -7.319 3.152 1.00 0.00 C ATOM 1158 CD1 LEU A 75 -3.947 -7.214 2.097 1.00 0.00 C ATOM 1159 CD2 LEU A 75 -4.496 -6.934 4.521 1.00 0.00 C ATOM 0 H LEU A 75 -8.223 -8.197 2.848 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.073 -6.238 4.748 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.579 -6.735 1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.885 -5.408 2.701 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.374 -8.355 3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.106 -7.847 2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.340 -7.540 1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.613 -6.179 2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.647 -7.571 4.769 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.176 -5.892 4.506 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.277 -7.062 5.270 1.00 0.00 H new ATOM 1171 N ARG A 76 -9.591 -5.909 2.823 1.00 0.00 N ATOM 1172 CA ARG A 76 -10.662 -5.020 2.391 1.00 0.00 C ATOM 1173 C ARG A 76 -11.178 -4.183 3.559 1.00 0.00 C ATOM 1174 O ARG A 76 -11.892 -3.199 3.364 1.00 0.00 O ATOM 1175 CB ARG A 76 -11.810 -5.827 1.783 1.00 0.00 C ATOM 1176 CG ARG A 76 -11.666 -6.058 0.287 1.00 0.00 C ATOM 1177 CD ARG A 76 -12.811 -6.896 -0.260 1.00 0.00 C ATOM 1178 NE ARG A 76 -14.101 -6.229 -0.105 1.00 0.00 N ATOM 1179 CZ ARG A 76 -15.238 -6.705 -0.599 1.00 0.00 C ATOM 1180 NH1 ARG A 76 -15.245 -7.845 -1.277 1.00 0.00 N ATOM 1181 NH2 ARG A 76 -16.372 -6.040 -0.417 1.00 0.00 N ATOM 0 H ARG A 76 -9.792 -6.902 2.702 1.00 0.00 H new ATOM 0 HA ARG A 76 -10.259 -4.348 1.634 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.872 -6.792 2.287 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -12.749 -5.307 1.973 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.637 -5.098 -0.229 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.719 -6.558 0.084 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.635 -7.105 -1.315 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -12.835 -7.856 0.255 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.130 -5.350 0.411 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.375 -8.359 -1.420 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -16.120 -8.208 -1.655 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -16.371 -5.162 0.103 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -17.245 -6.407 -0.797 1.00 0.00 H new ATOM 1195 N LYS A 77 -10.812 -4.582 4.773 1.00 0.00 N ATOM 1196 CA LYS A 77 -11.237 -3.870 5.972 1.00 0.00 C ATOM 1197 C LYS A 77 -10.457 -2.568 6.136 1.00 0.00 C ATOM 1198 O LYS A 77 -10.939 -1.621 6.758 1.00 0.00 O ATOM 1199 CB LYS A 77 -11.044 -4.752 7.209 1.00 0.00 C ATOM 1200 CG LYS A 77 -11.995 -4.421 8.345 1.00 0.00 C ATOM 1201 CD LYS A 77 -12.066 -5.551 9.358 1.00 0.00 C ATOM 1202 CE LYS A 77 -10.885 -5.516 10.317 1.00 0.00 C ATOM 1203 NZ LYS A 77 -9.711 -6.256 9.776 1.00 0.00 N ATOM 0 H LYS A 77 -10.222 -5.395 4.952 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.295 -3.629 5.866 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.179 -5.796 6.925 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.018 -4.648 7.563 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.668 -3.507 8.840 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.990 -4.228 7.944 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.996 -5.478 9.922 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.084 -6.508 8.836 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.604 -4.481 10.510 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.180 -5.950 11.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.185 -6.693 10.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.038 -6.997 9.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.089 -5.596 9.267 1.00 0.00 H new ATOM 1217 N ARG A 78 -9.253 -2.530 5.576 1.00 0.00 N ATOM 1218 CA ARG A 78 -8.409 -1.344 5.660 1.00 0.00 C ATOM 1219 C ARG A 78 -8.638 -0.427 4.462 1.00 0.00 C ATOM 1220 O ARG A 78 -8.734 0.791 4.609 1.00 0.00 O ATOM 1221 CB ARG A 78 -6.936 -1.746 5.734 1.00 0.00 C ATOM 1222 CG ARG A 78 -6.532 -2.337 7.076 1.00 0.00 C ATOM 1223 CD ARG A 78 -6.373 -1.258 8.135 1.00 0.00 C ATOM 1224 NE ARG A 78 -6.084 -1.822 9.452 1.00 0.00 N ATOM 1225 CZ ARG A 78 -5.799 -1.084 10.520 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -5.765 0.238 10.427 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -5.547 -1.670 11.683 1.00 0.00 N ATOM 0 H ARG A 78 -8.840 -3.306 5.059 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.677 -0.801 6.567 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.727 -2.472 4.949 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.319 -0.871 5.531 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.284 -3.057 7.399 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.595 -2.882 6.967 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.569 -0.582 7.846 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.285 -0.664 8.187 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.102 -2.836 9.557 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.958 0.692 9.534 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.546 0.802 11.248 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.572 -2.687 11.758 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.328 -1.104 12.503 1.00 0.00 H new ATOM 1241 N ALA A 79 -8.723 -1.022 3.276 1.00 0.00 N ATOM 1242 CA ALA A 79 -8.941 -0.260 2.054 1.00 0.00 C ATOM 1243 C ALA A 79 -10.044 0.776 2.242 1.00 0.00 C ATOM 1244 O ALA A 79 -9.884 1.939 1.874 1.00 0.00 O ATOM 1245 CB ALA A 79 -9.284 -1.195 0.902 1.00 0.00 C ATOM 0 H ALA A 79 -8.644 -2.029 3.137 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.018 0.269 1.816 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.444 -0.612 -0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.463 -1.894 0.744 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.191 -1.750 1.141 1.00 0.00 H new ATOM 1251 N GLU A 80 -11.163 0.346 2.816 1.00 0.00 N ATOM 1252 CA GLU A 80 -12.292 1.237 3.051 1.00 0.00 C ATOM 1253 C GLU A 80 -11.904 2.369 3.998 1.00 0.00 C ATOM 1254 O GLU A 80 -12.400 3.490 3.878 1.00 0.00 O ATOM 1255 CB GLU A 80 -13.475 0.457 3.629 1.00 0.00 C ATOM 1256 CG GLU A 80 -13.187 -0.169 4.984 1.00 0.00 C ATOM 1257 CD GLU A 80 -14.445 -0.645 5.685 1.00 0.00 C ATOM 1258 OE1 GLU A 80 -15.206 -1.425 5.075 1.00 0.00 O ATOM 1259 OE2 GLU A 80 -14.667 -0.237 6.844 1.00 0.00 O ATOM 0 H GLU A 80 -11.312 -0.614 3.127 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.584 1.670 2.095 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -14.330 1.126 3.722 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.759 -0.328 2.928 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.507 -1.011 4.854 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -12.677 0.558 5.615 1.00 0.00 H new ATOM 1266 N ILE A 81 -11.016 2.068 4.938 1.00 0.00 N ATOM 1267 CA ILE A 81 -10.560 3.058 5.905 1.00 0.00 C ATOM 1268 C ILE A 81 -9.645 4.086 5.249 1.00 0.00 C ATOM 1269 O ILE A 81 -9.752 5.286 5.508 1.00 0.00 O ATOM 1270 CB ILE A 81 -9.814 2.398 7.079 1.00 0.00 C ATOM 1271 CG1 ILE A 81 -10.723 1.391 7.788 1.00 0.00 C ATOM 1272 CG2 ILE A 81 -9.324 3.456 8.058 1.00 0.00 C ATOM 1273 CD1 ILE A 81 -10.002 0.543 8.812 1.00 0.00 C ATOM 0 H ILE A 81 -10.597 1.145 5.051 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.450 3.558 6.287 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.948 1.865 6.686 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.534 1.929 8.279 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -11.179 0.738 7.044 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.799 2.974 8.882 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.646 4.139 7.546 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -10.176 4.014 8.447 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -10.707 -0.147 9.274 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.209 -0.022 8.323 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -9.569 1.187 9.578 1.00 0.00 H new ATOM 1285 N LEU A 82 -8.745 3.609 4.397 1.00 0.00 N ATOM 1286 CA LEU A 82 -7.809 4.487 3.700 1.00 0.00 C ATOM 1287 C LEU A 82 -8.527 5.316 2.640 1.00 0.00 C ATOM 1288 O LEU A 82 -8.345 6.530 2.557 1.00 0.00 O ATOM 1289 CB LEU A 82 -6.694 3.664 3.053 1.00 0.00 C ATOM 1290 CG LEU A 82 -5.881 2.776 3.995 1.00 0.00 C ATOM 1291 CD1 LEU A 82 -5.150 1.695 3.212 1.00 0.00 C ATOM 1292 CD2 LEU A 82 -4.898 3.610 4.801 1.00 0.00 C ATOM 0 H LEU A 82 -8.643 2.620 4.171 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.372 5.167 4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.136 3.032 2.283 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.010 4.348 2.550 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.568 2.292 4.689 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.577 1.073 3.899 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.874 1.077 2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.475 2.160 2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.329 2.960 5.466 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.216 4.124 4.124 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.444 4.345 5.392 1.00 0.00 H new ATOM 1304 N LYS A 83 -9.346 4.651 1.831 1.00 0.00 N ATOM 1305 CA LYS A 83 -10.095 5.325 0.778 1.00 0.00 C ATOM 1306 C LYS A 83 -10.919 6.475 1.347 1.00 0.00 C ATOM 1307 O LYS A 83 -10.721 7.635 0.983 1.00 0.00 O ATOM 1308 CB LYS A 83 -11.012 4.332 0.060 1.00 0.00 C ATOM 1309 CG LYS A 83 -10.271 3.168 -0.573 1.00 0.00 C ATOM 1310 CD LYS A 83 -11.126 1.911 -0.601 1.00 0.00 C ATOM 1311 CE LYS A 83 -12.137 1.951 -1.737 1.00 0.00 C ATOM 1312 NZ LYS A 83 -13.375 1.193 -1.403 1.00 0.00 N ATOM 0 H LYS A 83 -9.507 3.645 1.885 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.381 5.733 0.063 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -11.741 3.944 0.771 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -11.571 4.860 -0.713 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.977 3.432 -1.589 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.354 2.973 -0.016 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.485 1.036 -0.713 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.649 1.804 0.349 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.394 2.987 -1.959 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.688 1.534 -2.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.039 1.244 -2.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.134 0.199 -1.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.818 1.606 -0.558 1.00 0.00 H new ATOM 1326 N LYS A 84 -11.844 6.147 2.243 1.00 0.00 N ATOM 1327 CA LYS A 84 -12.697 7.153 2.866 1.00 0.00 C ATOM 1328 C LYS A 84 -11.930 8.451 3.096 1.00 0.00 C ATOM 1329 O LYS A 84 -12.337 9.514 2.630 1.00 0.00 O ATOM 1330 CB LYS A 84 -13.247 6.632 4.195 1.00 0.00 C ATOM 1331 CG LYS A 84 -14.553 7.287 4.612 1.00 0.00 C ATOM 1332 CD LYS A 84 -15.715 6.806 3.761 1.00 0.00 C ATOM 1333 CE LYS A 84 -16.338 5.541 4.331 1.00 0.00 C ATOM 1334 NZ LYS A 84 -17.492 5.074 3.515 1.00 0.00 N ATOM 0 H LYS A 84 -12.022 5.192 2.554 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.527 7.357 2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.398 5.555 4.119 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -12.503 6.795 4.975 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -14.753 7.066 5.661 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.462 8.370 4.526 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -16.471 7.589 3.699 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -15.369 6.616 2.745 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -15.585 4.755 4.378 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -16.668 5.728 5.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -17.888 4.210 3.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -18.222 5.814 3.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -17.173 4.871 2.546 1.00 0.00 H new ATOM 1348 N GLU A 85 -10.816 8.356 3.816 1.00 0.00 N ATOM 1349 CA GLU A 85 -9.992 9.524 4.106 1.00 0.00 C ATOM 1350 C GLU A 85 -9.539 10.203 2.816 1.00 0.00 C ATOM 1351 O GLU A 85 -9.666 11.417 2.665 1.00 0.00 O ATOM 1352 CB GLU A 85 -8.774 9.122 4.940 1.00 0.00 C ATOM 1353 CG GLU A 85 -9.089 8.902 6.410 1.00 0.00 C ATOM 1354 CD GLU A 85 -9.734 10.113 7.055 1.00 0.00 C ATOM 1355 OE1 GLU A 85 -8.994 11.029 7.471 1.00 0.00 O ATOM 1356 OE2 GLU A 85 -10.979 10.145 7.146 1.00 0.00 O ATOM 0 H GLU A 85 -10.464 7.483 4.209 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.595 10.231 4.676 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.348 8.208 4.528 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.012 9.897 4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.753 8.044 6.511 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -8.170 8.658 6.942 1.00 0.00 H new