USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 871 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 21 TYR OH : rot 156:sc= 1.03 USER MOD Set 1.2: A 114 ASN :FLIP amide:sc= -2.61! C(o=-4.4!,f=-1.6!) USER MOD Single : A 11 LYS NZ :NH3+ 163:sc= -0.0241 (180deg=-0.203) USER MOD Single : A 14 LYS NZ :NH3+ 170:sc= -0.0606 (180deg=-0.121) USER MOD Single : A 17 CYS SG : rot -122:sc= -3.36 USER MOD Single : A 22 ASN :FLIP amide:sc= -2.43 F(o=-3.1!,f=-2.4) USER MOD Single : A 35 THR OG1 : rot -70:sc= -1.07 USER MOD Single : A 38 TYR OH : rot -150:sc= -0.885 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0571 USER MOD Single : A 48 GLN : amide:sc= -2.63 X(o=-2.6,f=-3.1!) USER MOD Single : A 52 TYR OH : rot -20:sc= -0.0501 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.568 F(o=-1.5,f=-0.57) USER MOD Single : A 54 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-0.022) USER MOD Single : A 57 GLN : amide:sc= -1.24 X(o=-1.2,f=-0.78) USER MOD Single : A 58 GLN : amide:sc= -1.96 K(o=-2,f=-6.8!) USER MOD Single : A 59 CYS SG : rot 126:sc= -0.618 USER MOD Single : A 60 THR OG1 : rot -110:sc= -2.32! USER MOD Single : A 87 THR OG1 : rot -89:sc= 1.31 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.133 K(o=-0.13,f=-1.8!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 80:sc= 1.07 USER MOD Single : A 103 THR OG1 : rot 100:sc= 1.07 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 33:sc= 0.689 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N LYS A 11 -10.340 9.167 8.199 1.00 0.00 N ATOM 117 CA LYS A 11 -9.099 9.698 8.748 1.00 0.00 C ATOM 118 C LYS A 11 -8.000 8.639 8.733 1.00 0.00 C ATOM 119 O LYS A 11 -8.221 7.509 8.298 1.00 0.00 O ATOM 120 CB LYS A 11 -9.321 10.196 10.178 1.00 0.00 C ATOM 121 CG LYS A 11 -10.391 11.268 10.289 1.00 0.00 C ATOM 122 CD LYS A 11 -10.106 12.224 11.435 1.00 0.00 C ATOM 123 CE LYS A 11 -9.175 13.348 11.005 1.00 0.00 C ATOM 124 NZ LYS A 11 -9.854 14.316 10.101 1.00 0.00 N ATOM 0 HA LYS A 11 -8.784 10.534 8.123 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.598 9.351 10.809 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.382 10.590 10.567 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.447 11.826 9.354 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.363 10.799 10.439 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.043 12.645 11.800 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.658 11.676 12.264 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.807 13.872 11.887 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.306 12.926 10.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.304 15.198 10.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.926 13.908 9.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.808 14.519 10.463 1.00 0.00 H new ATOM 138 N ILE A 12 -6.819 9.013 9.212 1.00 0.00 N ATOM 139 CA ILE A 12 -5.687 8.094 9.255 1.00 0.00 C ATOM 140 C ILE A 12 -4.888 8.265 10.543 1.00 0.00 C ATOM 141 O ILE A 12 -4.880 9.341 11.141 1.00 0.00 O ATOM 142 CB ILE A 12 -4.749 8.299 8.051 1.00 0.00 C ATOM 143 CG1 ILE A 12 -3.488 7.449 8.209 1.00 0.00 C ATOM 144 CG2 ILE A 12 -4.389 9.769 7.904 1.00 0.00 C ATOM 145 CD1 ILE A 12 -2.561 7.513 7.014 1.00 0.00 C ATOM 0 H ILE A 12 -6.620 9.945 9.576 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.098 7.085 9.217 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.268 7.981 7.147 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.947 7.778 9.096 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.778 6.412 8.379 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.726 9.897 7.049 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.297 10.352 7.750 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.886 10.113 8.808 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.688 6.886 7.197 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.085 7.156 6.127 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.241 8.543 6.856 1.00 0.00 H new ATOM 157 N ASP A 13 -4.216 7.199 10.962 1.00 0.00 N ATOM 158 CA ASP A 13 -3.411 7.232 12.176 1.00 0.00 C ATOM 159 C ASP A 13 -1.981 7.668 11.870 1.00 0.00 C ATOM 160 O ASP A 13 -1.020 7.075 12.361 1.00 0.00 O ATOM 161 CB ASP A 13 -3.405 5.858 12.849 1.00 0.00 C ATOM 162 CG ASP A 13 -4.503 5.717 13.884 1.00 0.00 C ATOM 163 OD1 ASP A 13 -5.672 6.006 13.555 1.00 0.00 O ATOM 164 OD2 ASP A 13 -4.192 5.316 15.026 1.00 0.00 O ATOM 0 H ASP A 13 -4.213 6.301 10.478 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.856 7.959 12.856 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.523 5.084 12.090 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.438 5.693 13.324 1.00 0.00 H new ATOM 169 N LYS A 14 -1.847 8.706 11.052 1.00 0.00 N ATOM 170 CA LYS A 14 -0.535 9.222 10.678 1.00 0.00 C ATOM 171 C LYS A 14 0.507 8.876 11.736 1.00 0.00 C ATOM 172 O LYS A 14 1.609 8.433 11.413 1.00 0.00 O ATOM 173 CB LYS A 14 -0.597 10.739 10.485 1.00 0.00 C ATOM 174 CG LYS A 14 -0.866 11.160 9.050 1.00 0.00 C ATOM 175 CD LYS A 14 -1.653 12.458 8.988 1.00 0.00 C ATOM 176 CE LYS A 14 -0.751 13.666 9.187 1.00 0.00 C ATOM 177 NZ LYS A 14 0.099 13.926 7.992 1.00 0.00 N ATOM 0 H LYS A 14 -2.631 9.207 10.635 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.242 8.754 9.738 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.378 11.147 11.127 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.346 11.177 10.813 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.080 11.281 8.522 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.419 10.373 8.537 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.157 12.534 8.024 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.429 12.452 9.754 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.361 14.544 9.397 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.115 13.505 10.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.572 14.846 8.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.815 13.177 7.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.496 13.937 7.139 1.00 0.00 H new ATOM 191 N GLU A 15 0.151 9.079 13.001 1.00 0.00 N ATOM 192 CA GLU A 15 1.057 8.787 14.106 1.00 0.00 C ATOM 193 C GLU A 15 1.517 7.332 14.062 1.00 0.00 C ATOM 194 O GLU A 15 2.712 7.050 13.970 1.00 0.00 O ATOM 195 CB GLU A 15 0.376 9.077 15.443 1.00 0.00 C ATOM 196 CG GLU A 15 -0.660 10.187 15.371 1.00 0.00 C ATOM 197 CD GLU A 15 -0.785 10.955 16.673 1.00 0.00 C ATOM 198 OE1 GLU A 15 -0.626 10.335 17.745 1.00 0.00 O ATOM 199 OE2 GLU A 15 -1.042 12.175 16.619 1.00 0.00 O ATOM 0 H GLU A 15 -0.758 9.444 13.286 1.00 0.00 H new ATOM 0 HA GLU A 15 1.931 9.430 14.005 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.104 8.166 15.802 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.135 9.347 16.177 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.392 10.877 14.571 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.628 9.759 15.112 1.00 0.00 H new ATOM 206 N ALA A 16 0.559 6.413 14.129 1.00 0.00 N ATOM 207 CA ALA A 16 0.865 4.988 14.096 1.00 0.00 C ATOM 208 C ALA A 16 1.397 4.572 12.729 1.00 0.00 C ATOM 209 O ALA A 16 2.225 3.666 12.624 1.00 0.00 O ATOM 210 CB ALA A 16 -0.372 4.175 14.452 1.00 0.00 C ATOM 0 H ALA A 16 -0.435 6.630 14.206 1.00 0.00 H new ATOM 0 HA ALA A 16 1.642 4.791 14.835 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.130 3.113 14.424 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.708 4.444 15.453 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.165 4.386 13.734 1.00 0.00 H new ATOM 216 N CYS A 17 0.918 5.239 11.684 1.00 0.00 N ATOM 217 CA CYS A 17 1.346 4.937 10.323 1.00 0.00 C ATOM 218 C CYS A 17 2.830 5.237 10.140 1.00 0.00 C ATOM 219 O CYS A 17 3.605 4.365 9.743 1.00 0.00 O ATOM 220 CB CYS A 17 0.524 5.744 9.317 1.00 0.00 C ATOM 221 SG CYS A 17 -1.265 5.604 9.545 1.00 0.00 S ATOM 0 H CYS A 17 0.233 5.992 11.754 1.00 0.00 H new ATOM 0 HA CYS A 17 1.184 3.874 10.146 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.808 6.794 9.391 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.778 5.415 8.309 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.808 5.153 8.453 1.00 0.00 H new ATOM 227 N ARG A 18 3.219 6.473 10.430 1.00 0.00 N ATOM 228 CA ARG A 18 4.611 6.888 10.295 1.00 0.00 C ATOM 229 C ARG A 18 5.552 5.809 10.821 1.00 0.00 C ATOM 230 O ARG A 18 6.591 5.533 10.222 1.00 0.00 O ATOM 231 CB ARG A 18 4.849 8.199 11.047 1.00 0.00 C ATOM 232 CG ARG A 18 6.315 8.588 11.144 1.00 0.00 C ATOM 233 CD ARG A 18 6.530 9.705 12.153 1.00 0.00 C ATOM 234 NE ARG A 18 6.022 10.985 11.669 1.00 0.00 N ATOM 235 CZ ARG A 18 6.222 12.139 12.295 1.00 0.00 C ATOM 236 NH1 ARG A 18 6.916 12.173 13.424 1.00 0.00 N ATOM 237 NH2 ARG A 18 5.727 13.263 11.792 1.00 0.00 N ATOM 0 H ARG A 18 2.591 7.206 10.760 1.00 0.00 H new ATOM 0 HA ARG A 18 4.818 7.042 9.236 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.302 8.999 10.548 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.438 8.111 12.053 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.905 7.718 11.432 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.673 8.907 10.165 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.034 9.449 13.089 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.594 9.796 12.371 1.00 0.00 H new ATOM 0 HE ARG A 18 5.484 10.994 10.803 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.298 11.311 13.814 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.068 13.061 13.903 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.192 13.241 10.924 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.881 14.149 12.274 1.00 0.00 H new ATOM 251 N ALA A 19 5.183 5.204 11.945 1.00 0.00 N ATOM 252 CA ALA A 19 5.994 4.155 12.550 1.00 0.00 C ATOM 253 C ALA A 19 6.152 2.969 11.605 1.00 0.00 C ATOM 254 O ALA A 19 7.263 2.496 11.367 1.00 0.00 O ATOM 255 CB ALA A 19 5.378 3.705 13.867 1.00 0.00 C ATOM 0 H ALA A 19 4.327 5.423 12.455 1.00 0.00 H new ATOM 0 HA ALA A 19 6.985 4.564 12.746 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.994 2.921 14.308 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.323 4.552 14.551 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.375 3.319 13.686 1.00 0.00 H new ATOM 261 N ALA A 20 5.033 2.492 11.070 1.00 0.00 N ATOM 262 CA ALA A 20 5.048 1.361 10.150 1.00 0.00 C ATOM 263 C ALA A 20 5.754 1.723 8.848 1.00 0.00 C ATOM 264 O ALA A 20 6.501 0.917 8.292 1.00 0.00 O ATOM 265 CB ALA A 20 3.629 0.890 9.870 1.00 0.00 C ATOM 0 H ALA A 20 4.105 2.871 11.258 1.00 0.00 H new ATOM 0 HA ALA A 20 5.602 0.549 10.620 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.655 0.045 9.182 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.157 0.583 10.803 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.057 1.704 9.424 1.00 0.00 H new ATOM 271 N TYR A 21 5.512 2.937 8.367 1.00 0.00 N ATOM 272 CA TYR A 21 6.123 3.403 7.128 1.00 0.00 C ATOM 273 C TYR A 21 7.627 3.598 7.301 1.00 0.00 C ATOM 274 O TYR A 21 8.369 3.685 6.324 1.00 0.00 O ATOM 275 CB TYR A 21 5.476 4.714 6.678 1.00 0.00 C ATOM 276 CG TYR A 21 6.415 5.622 5.916 1.00 0.00 C ATOM 277 CD1 TYR A 21 7.242 6.517 6.584 1.00 0.00 C ATOM 278 CD2 TYR A 21 6.474 5.586 4.529 1.00 0.00 C ATOM 279 CE1 TYR A 21 8.100 7.349 5.891 1.00 0.00 C ATOM 280 CE2 TYR A 21 7.330 6.414 3.828 1.00 0.00 C ATOM 281 CZ TYR A 21 8.141 7.294 4.514 1.00 0.00 C ATOM 282 OH TYR A 21 8.994 8.120 3.819 1.00 0.00 O ATOM 0 H TYR A 21 4.897 3.616 8.816 1.00 0.00 H new ATOM 0 HA TYR A 21 5.959 2.643 6.364 1.00 0.00 H new ATOM 0 HB2 TYR A 21 4.614 4.487 6.050 1.00 0.00 H new ATOM 0 HB3 TYR A 21 5.102 5.244 7.554 1.00 0.00 H new ATOM 0 HD1 TYR A 21 7.214 6.563 7.663 1.00 0.00 H new ATOM 0 HD2 TYR A 21 5.840 4.899 3.989 1.00 0.00 H new ATOM 0 HE1 TYR A 21 8.736 8.039 6.425 1.00 0.00 H new ATOM 0 HE2 TYR A 21 7.364 6.372 2.749 1.00 0.00 H new ATOM 0 HH TYR A 21 9.194 7.723 2.945 1.00 0.00 H new ATOM 292 N ASN A 22 8.068 3.665 8.553 1.00 0.00 N ATOM 293 CA ASN A 22 9.482 3.849 8.856 1.00 0.00 C ATOM 294 C ASN A 22 10.170 2.506 9.079 1.00 0.00 C ATOM 295 O ASN A 22 11.278 2.276 8.595 1.00 0.00 O ATOM 296 CB ASN A 22 9.649 4.732 10.094 1.00 0.00 C ATOM 297 CG ASN A 22 9.443 6.203 9.788 1.00 0.00 C ATOM 298 OD1 ASN A 22 8.861 6.928 10.736 1.00 0.00 O flip ATOM 299 ND2 ASN A 22 9.803 6.681 8.712 1.00 0.00 N flip ATOM 0 H ASN A 22 7.466 3.595 9.374 1.00 0.00 H new ATOM 0 HA ASN A 22 9.950 4.339 8.002 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.937 4.420 10.858 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.646 4.586 10.509 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.246 6.086 8.012 1.00 0.00 H new ATOM 0 HD22 ASN A 22 9.658 7.672 8.520 1.00 0.00 H new ATOM 306 N LEU A 23 9.505 1.622 9.815 1.00 0.00 N ATOM 307 CA LEU A 23 10.051 0.300 10.102 1.00 0.00 C ATOM 308 C LEU A 23 10.543 -0.374 8.825 1.00 0.00 C ATOM 309 O LEU A 23 11.331 -1.320 8.873 1.00 0.00 O ATOM 310 CB LEU A 23 8.995 -0.574 10.781 1.00 0.00 C ATOM 311 CG LEU A 23 9.017 -0.546 12.310 1.00 0.00 C ATOM 312 CD1 LEU A 23 10.276 -1.212 12.839 1.00 0.00 C ATOM 313 CD2 LEU A 23 8.916 0.886 12.816 1.00 0.00 C ATOM 0 H LEU A 23 8.587 1.797 10.224 1.00 0.00 H new ATOM 0 HA LEU A 23 10.899 0.422 10.776 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.009 -0.256 10.441 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.130 -1.604 10.450 1.00 0.00 H new ATOM 0 HG LEU A 23 8.156 -1.104 12.678 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.273 -1.182 13.929 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.307 -2.249 12.505 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.152 -0.683 12.464 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.933 0.889 13.906 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.758 1.466 12.438 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.984 1.331 12.467 1.00 0.00 H new ATOM 325 N VAL A 24 10.073 0.118 7.684 1.00 0.00 N ATOM 326 CA VAL A 24 10.464 -0.436 6.393 1.00 0.00 C ATOM 327 C VAL A 24 11.442 0.487 5.673 1.00 0.00 C ATOM 328 O VAL A 24 12.384 0.027 5.027 1.00 0.00 O ATOM 329 CB VAL A 24 9.240 -0.674 5.490 1.00 0.00 C ATOM 330 CG1 VAL A 24 8.312 0.532 5.520 1.00 0.00 C ATOM 331 CG2 VAL A 24 9.680 -0.982 4.067 1.00 0.00 C ATOM 0 H VAL A 24 9.420 0.900 7.627 1.00 0.00 H new ATOM 0 HA VAL A 24 10.950 -1.391 6.592 1.00 0.00 H new ATOM 0 HB VAL A 24 8.691 -1.535 5.871 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.452 0.346 4.876 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.970 0.703 6.541 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.848 1.412 5.165 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.802 -1.148 3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.252 -0.142 3.673 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.301 -1.878 4.064 1.00 0.00 H new ATOM 341 N ARG A 25 11.212 1.790 5.790 1.00 0.00 N ATOM 342 CA ARG A 25 12.073 2.778 5.150 1.00 0.00 C ATOM 343 C ARG A 25 13.469 2.761 5.764 1.00 0.00 C ATOM 344 O ARG A 25 14.457 3.060 5.091 1.00 0.00 O ATOM 345 CB ARG A 25 11.464 4.176 5.279 1.00 0.00 C ATOM 346 CG ARG A 25 12.487 5.260 5.579 1.00 0.00 C ATOM 347 CD ARG A 25 11.870 6.647 5.488 1.00 0.00 C ATOM 348 NE ARG A 25 12.849 7.656 5.088 1.00 0.00 N ATOM 349 CZ ARG A 25 13.778 8.141 5.903 1.00 0.00 C ATOM 350 NH1 ARG A 25 13.856 7.712 7.155 1.00 0.00 N ATOM 351 NH2 ARG A 25 14.633 9.056 5.466 1.00 0.00 N ATOM 0 H ARG A 25 10.437 2.187 6.322 1.00 0.00 H new ATOM 0 HA ARG A 25 12.156 2.521 4.094 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.945 4.424 4.353 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.715 4.165 6.071 1.00 0.00 H new ATOM 0 HG2 ARG A 25 12.898 5.108 6.577 1.00 0.00 H new ATOM 0 HG3 ARG A 25 13.317 5.183 4.877 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.050 6.633 4.770 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.444 6.918 6.454 1.00 0.00 H new ATOM 0 HE ARG A 25 12.817 8.007 4.131 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.201 7.007 7.494 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.571 8.086 7.779 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.577 9.388 4.503 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.346 9.428 6.093 1.00 0.00 H new ATOM 365 N ASP A 26 13.544 2.411 7.043 1.00 0.00 N ATOM 366 CA ASP A 26 14.820 2.355 7.747 1.00 0.00 C ATOM 367 C ASP A 26 15.714 1.263 7.166 1.00 0.00 C ATOM 368 O ASP A 26 15.233 0.333 6.518 1.00 0.00 O ATOM 369 CB ASP A 26 14.593 2.105 9.239 1.00 0.00 C ATOM 370 CG ASP A 26 15.892 2.014 10.014 1.00 0.00 C ATOM 371 OD1 ASP A 26 16.738 2.919 9.863 1.00 0.00 O ATOM 372 OD2 ASP A 26 16.063 1.037 10.773 1.00 0.00 O ATOM 0 H ASP A 26 12.736 2.162 7.614 1.00 0.00 H new ATOM 0 HA ASP A 26 15.320 3.315 7.619 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.983 2.909 9.651 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.031 1.180 9.368 1.00 0.00 H new ATOM 417 N VAL A 31 12.129 -5.478 8.692 1.00 0.00 N ATOM 418 CA VAL A 31 10.869 -5.231 8.003 1.00 0.00 C ATOM 419 C VAL A 31 11.108 -4.662 6.608 1.00 0.00 C ATOM 420 O VAL A 31 11.861 -3.703 6.439 1.00 0.00 O ATOM 421 CB VAL A 31 9.977 -4.258 8.795 1.00 0.00 C ATOM 422 CG1 VAL A 31 8.652 -4.043 8.078 1.00 0.00 C ATOM 423 CG2 VAL A 31 9.750 -4.775 10.208 1.00 0.00 C ATOM 0 HA VAL A 31 10.361 -6.192 7.919 1.00 0.00 H new ATOM 0 HB VAL A 31 10.487 -3.297 8.861 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.035 -3.352 8.653 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.837 -3.626 7.088 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.133 -4.996 7.979 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.117 -4.075 10.754 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.261 -5.748 10.165 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.708 -4.872 10.718 1.00 0.00 H new ATOM 433 N ILE A 32 10.463 -5.261 5.613 1.00 0.00 N ATOM 434 CA ILE A 32 10.605 -4.812 4.233 1.00 0.00 C ATOM 435 C ILE A 32 9.261 -4.384 3.654 1.00 0.00 C ATOM 436 O ILE A 32 9.205 -3.680 2.645 1.00 0.00 O ATOM 437 CB ILE A 32 11.208 -5.915 3.342 1.00 0.00 C ATOM 438 CG1 ILE A 32 10.131 -6.925 2.944 1.00 0.00 C ATOM 439 CG2 ILE A 32 12.355 -6.609 4.061 1.00 0.00 C ATOM 440 CD1 ILE A 32 10.599 -7.936 1.921 1.00 0.00 C ATOM 0 H ILE A 32 9.838 -6.057 5.736 1.00 0.00 H new ATOM 0 HA ILE A 32 11.281 -3.957 4.246 1.00 0.00 H new ATOM 0 HB ILE A 32 11.600 -5.455 2.435 1.00 0.00 H new ATOM 0 HG12 ILE A 32 9.792 -7.453 3.836 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.271 -6.388 2.545 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.770 -7.385 3.419 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.130 -5.880 4.297 1.00 0.00 H new ATOM 0 HG23 ILE A 32 11.987 -7.059 4.983 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.784 -8.620 1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.911 -7.418 1.014 1.00 0.00 H new ATOM 0 HD13 ILE A 32 11.440 -8.499 2.325 1.00 0.00 H new ATOM 452 N TRP A 33 8.182 -4.812 4.298 1.00 0.00 N ATOM 453 CA TRP A 33 6.838 -4.471 3.847 1.00 0.00 C ATOM 454 C TRP A 33 5.934 -4.141 5.031 1.00 0.00 C ATOM 455 O TRP A 33 6.263 -4.442 6.178 1.00 0.00 O ATOM 456 CB TRP A 33 6.239 -5.626 3.041 1.00 0.00 C ATOM 457 CG TRP A 33 6.060 -6.879 3.842 1.00 0.00 C ATOM 458 CD1 TRP A 33 6.875 -7.975 3.845 1.00 0.00 C ATOM 459 CD2 TRP A 33 4.995 -7.167 4.755 1.00 0.00 C ATOM 460 NE1 TRP A 33 6.382 -8.926 4.705 1.00 0.00 N ATOM 461 CE2 TRP A 33 5.230 -8.454 5.277 1.00 0.00 C ATOM 462 CE3 TRP A 33 3.868 -6.462 5.185 1.00 0.00 C ATOM 463 CZ2 TRP A 33 4.377 -9.048 6.204 1.00 0.00 C ATOM 464 CZ3 TRP A 33 3.023 -7.052 6.105 1.00 0.00 C ATOM 465 CH2 TRP A 33 3.281 -8.335 6.607 1.00 0.00 C ATOM 0 H TRP A 33 8.211 -5.396 5.134 1.00 0.00 H new ATOM 0 HA TRP A 33 6.909 -3.590 3.209 1.00 0.00 H new ATOM 0 HB2 TRP A 33 5.273 -5.318 2.641 1.00 0.00 H new ATOM 0 HB3 TRP A 33 6.884 -5.838 2.188 1.00 0.00 H new ATOM 0 HD1 TRP A 33 7.775 -8.079 3.257 1.00 0.00 H new ATOM 0 HE1 TRP A 33 6.805 -9.836 4.888 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.661 -5.473 4.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 4.574 -10.037 6.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 2.149 -6.516 6.443 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.602 -8.769 7.326 1.00 0.00 H new ATOM 476 N VAL A 34 4.794 -3.520 4.743 1.00 0.00 N ATOM 477 CA VAL A 34 3.843 -3.149 5.784 1.00 0.00 C ATOM 478 C VAL A 34 2.459 -2.895 5.199 1.00 0.00 C ATOM 479 O VAL A 34 2.327 -2.410 4.075 1.00 0.00 O ATOM 480 CB VAL A 34 4.304 -1.891 6.545 1.00 0.00 C ATOM 481 CG1 VAL A 34 4.285 -0.677 5.630 1.00 0.00 C ATOM 482 CG2 VAL A 34 3.433 -1.661 7.771 1.00 0.00 C ATOM 0 H VAL A 34 4.507 -3.264 3.798 1.00 0.00 H new ATOM 0 HA VAL A 34 3.793 -3.987 6.479 1.00 0.00 H new ATOM 0 HB VAL A 34 5.329 -2.046 6.881 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.614 0.202 6.185 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.956 -0.846 4.787 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.272 -0.515 5.261 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.773 -0.769 8.296 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.397 -1.527 7.461 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.505 -2.522 8.435 1.00 0.00 H new ATOM 492 N THR A 35 1.426 -3.226 5.968 1.00 0.00 N ATOM 493 CA THR A 35 0.051 -3.035 5.526 1.00 0.00 C ATOM 494 C THR A 35 -0.683 -2.047 6.425 1.00 0.00 C ATOM 495 O THR A 35 -0.332 -1.875 7.592 1.00 0.00 O ATOM 496 CB THR A 35 -0.723 -4.366 5.506 1.00 0.00 C ATOM 497 OG1 THR A 35 -0.362 -5.159 6.643 1.00 0.00 O ATOM 498 CG2 THR A 35 -0.436 -5.140 4.228 1.00 0.00 C ATOM 0 H THR A 35 1.517 -3.628 6.901 1.00 0.00 H new ATOM 0 HA THR A 35 0.098 -2.635 4.513 1.00 0.00 H new ATOM 0 HB THR A 35 -1.789 -4.142 5.544 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.558 -5.480 6.539 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.994 -6.076 4.237 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.739 -4.545 3.366 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.631 -5.354 4.164 1.00 0.00 H new ATOM 506 N PHE A 36 -1.705 -1.399 5.874 1.00 0.00 N ATOM 507 CA PHE A 36 -2.489 -0.427 6.627 1.00 0.00 C ATOM 508 C PHE A 36 -3.982 -0.697 6.475 1.00 0.00 C ATOM 509 O PHE A 36 -4.601 -0.292 5.490 1.00 0.00 O ATOM 510 CB PHE A 36 -2.167 0.994 6.157 1.00 0.00 C ATOM 511 CG PHE A 36 -0.695 1.296 6.130 1.00 0.00 C ATOM 512 CD1 PHE A 36 -0.057 1.800 7.251 1.00 0.00 C ATOM 513 CD2 PHE A 36 0.049 1.076 4.982 1.00 0.00 C ATOM 514 CE1 PHE A 36 1.296 2.079 7.229 1.00 0.00 C ATOM 515 CE2 PHE A 36 1.403 1.353 4.954 1.00 0.00 C ATOM 516 CZ PHE A 36 2.027 1.857 6.079 1.00 0.00 C ATOM 0 H PHE A 36 -2.009 -1.530 4.909 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.225 -0.523 7.680 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.578 1.140 5.158 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.664 1.707 6.814 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.624 1.977 8.153 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.434 0.684 4.099 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.781 2.470 8.111 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.973 1.176 4.054 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.084 2.077 6.059 1.00 0.00 H new ATOM 526 N ARG A 37 -4.556 -1.387 7.455 1.00 0.00 N ATOM 527 CA ARG A 37 -5.977 -1.714 7.430 1.00 0.00 C ATOM 528 C ARG A 37 -6.780 -0.712 8.255 1.00 0.00 C ATOM 529 O ARG A 37 -6.213 0.134 8.947 1.00 0.00 O ATOM 530 CB ARG A 37 -6.206 -3.129 7.964 1.00 0.00 C ATOM 531 CG ARG A 37 -5.723 -3.327 9.392 1.00 0.00 C ATOM 532 CD ARG A 37 -5.435 -4.791 9.686 1.00 0.00 C ATOM 533 NE ARG A 37 -6.607 -5.484 10.213 1.00 0.00 N ATOM 534 CZ ARG A 37 -6.637 -6.788 10.468 1.00 0.00 C ATOM 535 NH1 ARG A 37 -5.565 -7.535 10.245 1.00 0.00 N ATOM 536 NH2 ARG A 37 -7.741 -7.346 10.948 1.00 0.00 N ATOM 0 H ARG A 37 -4.059 -1.731 8.277 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.318 -1.663 6.396 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.270 -3.359 7.914 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.695 -3.840 7.315 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.821 -2.738 9.557 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.477 -2.957 10.087 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.102 -5.285 8.773 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.618 -4.863 10.404 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.449 -4.938 10.395 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.714 -7.109 9.877 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.591 -8.536 10.442 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.568 -6.774 11.122 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.763 -8.347 11.143 1.00 0.00 H new ATOM 550 N TYR A 38 -8.102 -0.813 8.174 1.00 0.00 N ATOM 551 CA TYR A 38 -8.983 0.086 8.909 1.00 0.00 C ATOM 552 C TYR A 38 -9.426 -0.542 10.227 1.00 0.00 C ATOM 553 O TYR A 38 -9.641 -1.752 10.310 1.00 0.00 O ATOM 554 CB TYR A 38 -10.208 0.438 8.064 1.00 0.00 C ATOM 555 CG TYR A 38 -9.863 1.024 6.713 1.00 0.00 C ATOM 556 CD1 TYR A 38 -9.510 0.203 5.648 1.00 0.00 C ATOM 557 CD2 TYR A 38 -9.890 2.397 6.500 1.00 0.00 C ATOM 558 CE1 TYR A 38 -9.193 0.733 4.412 1.00 0.00 C ATOM 559 CE2 TYR A 38 -9.576 2.935 5.268 1.00 0.00 C ATOM 560 CZ TYR A 38 -9.228 2.100 4.227 1.00 0.00 C ATOM 561 OH TYR A 38 -8.914 2.632 2.998 1.00 0.00 O ATOM 0 H TYR A 38 -8.587 -1.508 7.607 1.00 0.00 H new ATOM 0 HA TYR A 38 -8.427 0.997 9.129 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -10.809 -0.460 7.919 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -10.825 1.149 8.613 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.483 -0.867 5.789 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -10.161 3.055 7.313 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.919 0.081 3.595 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -9.603 4.004 5.120 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.524 3.523 3.117 1.00 0.00 H new ATOM 571 N ASP A 39 -9.559 0.288 11.255 1.00 0.00 N ATOM 572 CA ASP A 39 -9.977 -0.184 12.570 1.00 0.00 C ATOM 573 C ASP A 39 -11.386 0.300 12.899 1.00 0.00 C ATOM 574 O ASP A 39 -11.846 0.179 14.033 1.00 0.00 O ATOM 575 CB ASP A 39 -8.996 0.293 13.643 1.00 0.00 C ATOM 576 CG ASP A 39 -9.086 -0.527 14.915 1.00 0.00 C ATOM 577 OD1 ASP A 39 -10.150 -0.497 15.566 1.00 0.00 O ATOM 578 OD2 ASP A 39 -8.089 -1.197 15.260 1.00 0.00 O ATOM 0 H ASP A 39 -9.383 1.291 11.203 1.00 0.00 H new ATOM 0 HA ASP A 39 -9.982 -1.274 12.553 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.980 0.241 13.251 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.195 1.339 13.874 1.00 0.00 H new ATOM 583 N GLY A 40 -12.066 0.852 11.898 1.00 0.00 N ATOM 584 CA GLY A 40 -13.414 1.348 12.102 1.00 0.00 C ATOM 585 C GLY A 40 -13.711 2.578 11.268 1.00 0.00 C ATOM 586 O GLY A 40 -14.304 2.481 10.194 1.00 0.00 O ATOM 0 H GLY A 40 -11.707 0.964 10.950 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.128 0.563 11.853 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.555 1.585 13.157 1.00 0.00 H new ATOM 590 N ALA A 41 -13.300 3.741 11.765 1.00 0.00 N ATOM 591 CA ALA A 41 -13.526 4.996 11.058 1.00 0.00 C ATOM 592 C ALA A 41 -12.206 5.689 10.735 1.00 0.00 C ATOM 593 O ALA A 41 -12.188 6.834 10.282 1.00 0.00 O ATOM 594 CB ALA A 41 -14.418 5.913 11.881 1.00 0.00 C ATOM 0 H ALA A 41 -12.809 3.840 12.654 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.027 4.769 10.117 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -14.578 6.846 11.341 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.377 5.426 12.056 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.939 6.125 12.837 1.00 0.00 H new ATOM 600 N THR A 42 -11.102 4.988 10.971 1.00 0.00 N ATOM 601 CA THR A 42 -9.777 5.536 10.707 1.00 0.00 C ATOM 602 C THR A 42 -8.796 4.439 10.311 1.00 0.00 C ATOM 603 O THR A 42 -8.878 3.313 10.803 1.00 0.00 O ATOM 604 CB THR A 42 -9.224 6.284 11.936 1.00 0.00 C ATOM 605 OG1 THR A 42 -10.223 7.160 12.468 1.00 0.00 O ATOM 606 CG2 THR A 42 -7.984 7.085 11.569 1.00 0.00 C ATOM 0 H THR A 42 -11.099 4.039 11.345 1.00 0.00 H new ATOM 0 HA THR A 42 -9.885 6.238 9.880 1.00 0.00 H new ATOM 0 HB THR A 42 -8.951 5.546 12.690 1.00 0.00 H new ATOM 0 HG1 THR A 42 -9.864 7.630 13.249 1.00 0.00 H new ATOM 0 HG21 THR A 42 -7.612 7.604 12.452 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.214 6.412 11.192 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.236 7.814 10.799 1.00 0.00 H new ATOM 614 N ILE A 43 -7.871 4.774 9.419 1.00 0.00 N ATOM 615 CA ILE A 43 -6.873 3.816 8.958 1.00 0.00 C ATOM 616 C ILE A 43 -5.806 3.578 10.021 1.00 0.00 C ATOM 617 O ILE A 43 -5.495 4.467 10.813 1.00 0.00 O ATOM 618 CB ILE A 43 -6.192 4.292 7.660 1.00 0.00 C ATOM 619 CG1 ILE A 43 -7.242 4.586 6.586 1.00 0.00 C ATOM 620 CG2 ILE A 43 -5.201 3.248 7.169 1.00 0.00 C ATOM 621 CD1 ILE A 43 -6.820 5.661 5.609 1.00 0.00 C ATOM 0 H ILE A 43 -7.791 5.701 9.001 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.400 2.883 8.761 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.646 5.212 7.869 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -7.454 3.669 6.036 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.170 4.890 7.070 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.728 3.598 6.252 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.439 3.084 7.930 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.725 2.313 6.973 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.611 5.818 4.876 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.635 6.590 6.148 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.909 5.351 5.098 1.00 0.00 H new ATOM 633 N VAL A 44 -5.247 2.372 10.031 1.00 0.00 N ATOM 634 CA VAL A 44 -4.212 2.017 10.995 1.00 0.00 C ATOM 635 C VAL A 44 -3.371 0.850 10.494 1.00 0.00 C ATOM 636 O VAL A 44 -3.857 -0.049 9.805 1.00 0.00 O ATOM 637 CB VAL A 44 -4.820 1.649 12.361 1.00 0.00 C ATOM 638 CG1 VAL A 44 -5.698 2.778 12.878 1.00 0.00 C ATOM 639 CG2 VAL A 44 -5.611 0.352 12.260 1.00 0.00 C ATOM 0 H VAL A 44 -5.493 1.624 9.382 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.576 2.894 11.113 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.007 1.499 13.071 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.118 2.499 13.844 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.100 3.682 12.990 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.506 2.963 12.171 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.034 0.107 13.234 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.416 0.472 11.535 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.950 -0.453 11.938 1.00 0.00 H new ATOM 649 N PRO A 45 -2.076 0.859 10.845 1.00 0.00 N ATOM 650 CA PRO A 45 -1.138 -0.193 10.442 1.00 0.00 C ATOM 651 C PRO A 45 -1.652 -1.588 10.782 1.00 0.00 C ATOM 652 O PRO A 45 -1.897 -1.904 11.946 1.00 0.00 O ATOM 653 CB PRO A 45 0.121 0.124 11.253 1.00 0.00 C ATOM 654 CG PRO A 45 0.036 1.584 11.526 1.00 0.00 C ATOM 655 CD PRO A 45 -1.428 1.898 11.663 1.00 0.00 C ATOM 0 HA PRO A 45 -0.976 -0.203 9.364 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.151 -0.451 12.179 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.024 -0.123 10.695 1.00 0.00 H new ATOM 0 HG2 PRO A 45 0.577 1.842 12.436 1.00 0.00 H new ATOM 0 HG3 PRO A 45 0.484 2.159 10.715 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.753 1.853 12.702 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.660 2.899 11.300 1.00 0.00 H new ATOM 663 N GLY A 46 -1.813 -2.420 9.757 1.00 0.00 N ATOM 664 CA GLY A 46 -2.297 -3.772 9.968 1.00 0.00 C ATOM 665 C GLY A 46 -1.172 -4.758 10.211 1.00 0.00 C ATOM 666 O GLY A 46 -0.690 -4.896 11.336 1.00 0.00 O ATOM 0 H GLY A 46 -1.617 -2.182 8.785 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.976 -3.783 10.820 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.872 -4.089 9.098 1.00 0.00 H new ATOM 670 N ASP A 47 -0.753 -5.448 9.157 1.00 0.00 N ATOM 671 CA ASP A 47 0.322 -6.428 9.261 1.00 0.00 C ATOM 672 C ASP A 47 1.666 -5.801 8.901 1.00 0.00 C ATOM 673 O ASP A 47 1.719 -4.711 8.333 1.00 0.00 O ATOM 674 CB ASP A 47 0.042 -7.623 8.348 1.00 0.00 C ATOM 675 CG ASP A 47 -1.141 -8.446 8.819 1.00 0.00 C ATOM 676 OD1 ASP A 47 -2.288 -8.073 8.494 1.00 0.00 O ATOM 677 OD2 ASP A 47 -0.921 -9.462 9.512 1.00 0.00 O ATOM 0 H ASP A 47 -1.142 -5.347 8.219 1.00 0.00 H new ATOM 0 HA ASP A 47 0.367 -6.773 10.294 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.147 -7.267 7.335 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.927 -8.257 8.303 1.00 0.00 H new ATOM 682 N GLN A 48 2.746 -6.498 9.236 1.00 0.00 N ATOM 683 CA GLN A 48 4.090 -6.008 8.950 1.00 0.00 C ATOM 684 C GLN A 48 5.122 -7.118 9.120 1.00 0.00 C ATOM 685 O GLN A 48 5.030 -7.930 10.040 1.00 0.00 O ATOM 686 CB GLN A 48 4.432 -4.832 9.865 1.00 0.00 C ATOM 687 CG GLN A 48 5.721 -4.120 9.485 1.00 0.00 C ATOM 688 CD GLN A 48 6.161 -3.112 10.528 1.00 0.00 C ATOM 689 OE1 GLN A 48 7.039 -3.391 11.345 1.00 0.00 O ATOM 690 NE2 GLN A 48 5.552 -1.933 10.506 1.00 0.00 N ATOM 0 H GLN A 48 2.718 -7.403 9.705 1.00 0.00 H new ATOM 0 HA GLN A 48 4.114 -5.671 7.914 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.611 -4.115 9.844 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.514 -5.192 10.890 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.511 -4.858 9.343 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.583 -3.612 8.530 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.830 -1.745 9.811 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.806 -1.215 11.184 1.00 0.00 H new ATOM 699 N GLY A 49 6.105 -7.148 8.225 1.00 0.00 N ATOM 700 CA GLY A 49 7.140 -8.162 8.293 1.00 0.00 C ATOM 701 C GLY A 49 8.145 -8.044 7.165 1.00 0.00 C ATOM 702 O GLY A 49 7.992 -7.207 6.275 1.00 0.00 O ATOM 0 H GLY A 49 6.203 -6.488 7.454 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.660 -8.082 9.248 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.679 -9.149 8.262 1.00 0.00 H new ATOM 706 N ALA A 50 9.174 -8.884 7.199 1.00 0.00 N ATOM 707 CA ALA A 50 10.207 -8.869 6.172 1.00 0.00 C ATOM 708 C ALA A 50 9.913 -9.897 5.085 1.00 0.00 C ATOM 709 O ALA A 50 10.349 -9.749 3.943 1.00 0.00 O ATOM 710 CB ALA A 50 11.572 -9.128 6.790 1.00 0.00 C ATOM 0 H ALA A 50 9.314 -9.584 7.928 1.00 0.00 H new ATOM 0 HA ALA A 50 10.212 -7.881 5.711 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.333 -9.114 6.010 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.791 -8.354 7.525 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.571 -10.102 7.278 1.00 0.00 H new ATOM 716 N ASP A 51 9.173 -10.939 5.447 1.00 0.00 N ATOM 717 CA ASP A 51 8.821 -11.992 4.501 1.00 0.00 C ATOM 718 C ASP A 51 7.672 -11.552 3.600 1.00 0.00 C ATOM 719 O ASP A 51 6.527 -11.453 4.040 1.00 0.00 O ATOM 720 CB ASP A 51 8.437 -13.270 5.249 1.00 0.00 C ATOM 721 CG ASP A 51 9.634 -14.156 5.534 1.00 0.00 C ATOM 722 OD1 ASP A 51 10.483 -14.315 4.631 1.00 0.00 O ATOM 723 OD2 ASP A 51 9.724 -14.688 6.659 1.00 0.00 O ATOM 0 H ASP A 51 8.805 -11.077 6.388 1.00 0.00 H new ATOM 0 HA ASP A 51 9.692 -12.192 3.877 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.952 -13.006 6.189 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.708 -13.827 4.660 1.00 0.00 H new ATOM 728 N TYR A 52 7.986 -11.288 2.337 1.00 0.00 N ATOM 729 CA TYR A 52 6.982 -10.854 1.373 1.00 0.00 C ATOM 730 C TYR A 52 5.830 -11.852 1.300 1.00 0.00 C ATOM 731 O TYR A 52 4.702 -11.490 0.970 1.00 0.00 O ATOM 732 CB TYR A 52 7.611 -10.681 -0.010 1.00 0.00 C ATOM 733 CG TYR A 52 6.847 -9.737 -0.910 1.00 0.00 C ATOM 734 CD1 TYR A 52 5.592 -10.078 -1.402 1.00 0.00 C ATOM 735 CD2 TYR A 52 7.378 -8.504 -1.267 1.00 0.00 C ATOM 736 CE1 TYR A 52 4.891 -9.219 -2.225 1.00 0.00 C ATOM 737 CE2 TYR A 52 6.683 -7.638 -2.089 1.00 0.00 C ATOM 738 CZ TYR A 52 5.440 -8.000 -2.566 1.00 0.00 C ATOM 739 OH TYR A 52 4.744 -7.141 -3.384 1.00 0.00 O ATOM 0 H TYR A 52 8.929 -11.367 1.956 1.00 0.00 H new ATOM 0 HA TYR A 52 6.587 -9.894 1.706 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.630 -10.312 0.107 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.678 -11.656 -0.494 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.158 -11.031 -1.136 1.00 0.00 H new ATOM 0 HD2 TYR A 52 8.351 -8.217 -0.896 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.918 -9.500 -2.600 1.00 0.00 H new ATOM 0 HE2 TYR A 52 7.110 -6.683 -2.357 1.00 0.00 H new ATOM 0 HH TYR A 52 4.066 -7.642 -3.884 1.00 0.00 H new ATOM 749 N GLN A 53 6.127 -13.110 1.611 1.00 0.00 N ATOM 750 CA GLN A 53 5.117 -14.162 1.581 1.00 0.00 C ATOM 751 C GLN A 53 4.128 -14.000 2.729 1.00 0.00 C ATOM 752 O GLN A 53 3.018 -14.531 2.686 1.00 0.00 O ATOM 753 CB GLN A 53 5.781 -15.538 1.652 1.00 0.00 C ATOM 754 CG GLN A 53 6.590 -15.888 0.414 1.00 0.00 C ATOM 755 CD GLN A 53 5.734 -15.988 -0.834 1.00 0.00 C ATOM 756 OE1 GLN A 53 5.381 -14.841 -1.403 1.00 0.00 O flip ATOM 757 NE2 GLN A 53 5.393 -17.083 -1.280 1.00 0.00 N flip ATOM 0 H GLN A 53 7.057 -13.425 1.886 1.00 0.00 H new ATOM 0 HA GLN A 53 4.570 -14.079 0.642 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.434 -15.572 2.524 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.012 -16.296 1.799 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.360 -15.132 0.262 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.102 -16.836 0.576 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.687 -17.939 -0.810 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.816 -17.134 -2.120 1.00 0.00 H new ATOM 766 N HIS A 54 4.539 -13.265 3.759 1.00 0.00 N ATOM 767 CA HIS A 54 3.688 -13.034 4.921 1.00 0.00 C ATOM 768 C HIS A 54 2.671 -11.931 4.639 1.00 0.00 C ATOM 769 O HIS A 54 1.598 -11.895 5.240 1.00 0.00 O ATOM 770 CB HIS A 54 4.538 -12.662 6.136 1.00 0.00 C ATOM 771 CG HIS A 54 4.980 -13.845 6.942 1.00 0.00 C ATOM 772 ND1 HIS A 54 5.576 -13.731 8.181 1.00 0.00 N ATOM 773 CD2 HIS A 54 4.907 -15.171 6.683 1.00 0.00 C ATOM 774 CE1 HIS A 54 5.852 -14.936 8.647 1.00 0.00 C ATOM 775 NE2 HIS A 54 5.456 -15.827 7.757 1.00 0.00 N ATOM 0 H HIS A 54 5.455 -12.820 3.812 1.00 0.00 H new ATOM 0 HA HIS A 54 3.148 -13.956 5.134 1.00 0.00 H new ATOM 0 HB2 HIS A 54 5.417 -12.113 5.800 1.00 0.00 H new ATOM 0 HB3 HIS A 54 3.967 -11.989 6.776 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.494 -15.628 5.796 1.00 0.00 H new ATOM 0 HE1 HIS A 54 6.322 -15.155 9.595 1.00 0.00 H new ATOM 0 HE2 HIS A 54 5.544 -16.839 7.852 1.00 0.00 H new ATOM 784 N PHE A 55 3.019 -11.033 3.723 1.00 0.00 N ATOM 785 CA PHE A 55 2.138 -9.929 3.364 1.00 0.00 C ATOM 786 C PHE A 55 1.024 -10.401 2.434 1.00 0.00 C ATOM 787 O PHE A 55 -0.124 -9.974 2.557 1.00 0.00 O ATOM 788 CB PHE A 55 2.936 -8.808 2.694 1.00 0.00 C ATOM 789 CG PHE A 55 2.199 -8.134 1.573 1.00 0.00 C ATOM 790 CD1 PHE A 55 1.066 -7.377 1.828 1.00 0.00 C ATOM 791 CD2 PHE A 55 2.637 -8.257 0.265 1.00 0.00 C ATOM 792 CE1 PHE A 55 0.385 -6.757 0.798 1.00 0.00 C ATOM 793 CE2 PHE A 55 1.960 -7.637 -0.769 1.00 0.00 C ATOM 794 CZ PHE A 55 0.833 -6.885 -0.503 1.00 0.00 C ATOM 0 H PHE A 55 3.904 -11.049 3.217 1.00 0.00 H new ATOM 0 HA PHE A 55 1.686 -9.547 4.279 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.200 -8.063 3.444 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.870 -9.218 2.309 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.712 -7.271 2.843 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.518 -8.844 0.050 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.498 -6.172 1.010 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.313 -7.741 -1.784 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.303 -6.399 -1.309 1.00 0.00 H new ATOM 804 N ILE A 56 1.373 -11.284 1.505 1.00 0.00 N ATOM 805 CA ILE A 56 0.403 -11.816 0.554 1.00 0.00 C ATOM 806 C ILE A 56 -0.576 -12.762 1.240 1.00 0.00 C ATOM 807 O ILE A 56 -1.635 -13.074 0.697 1.00 0.00 O ATOM 808 CB ILE A 56 1.098 -12.561 -0.600 1.00 0.00 C ATOM 809 CG1 ILE A 56 2.024 -11.612 -1.364 1.00 0.00 C ATOM 810 CG2 ILE A 56 0.064 -13.167 -1.537 1.00 0.00 C ATOM 811 CD1 ILE A 56 2.926 -12.316 -2.354 1.00 0.00 C ATOM 0 H ILE A 56 2.319 -11.646 1.390 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.143 -10.964 0.148 1.00 0.00 H new ATOM 0 HB ILE A 56 1.700 -13.368 -0.182 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.420 -10.876 -1.895 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.639 -11.064 -0.650 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.570 -13.690 -2.348 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.560 -13.870 -0.985 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.561 -12.375 -1.951 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.554 -11.582 -2.859 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.556 -13.032 -1.827 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.318 -12.841 -3.091 1.00 0.00 H new ATOM 823 N GLN A 57 -0.215 -13.214 2.436 1.00 0.00 N ATOM 824 CA GLN A 57 -1.063 -14.125 3.196 1.00 0.00 C ATOM 825 C GLN A 57 -2.086 -13.354 4.023 1.00 0.00 C ATOM 826 O GLN A 57 -2.835 -13.941 4.805 1.00 0.00 O ATOM 827 CB GLN A 57 -0.210 -15.007 4.110 1.00 0.00 C ATOM 828 CG GLN A 57 0.392 -16.212 3.405 1.00 0.00 C ATOM 829 CD GLN A 57 -0.581 -16.874 2.448 1.00 0.00 C ATOM 830 OE1 GLN A 57 -1.320 -17.782 2.826 1.00 0.00 O ATOM 831 NE2 GLN A 57 -0.585 -16.419 1.199 1.00 0.00 N ATOM 0 H GLN A 57 0.659 -12.965 2.900 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.598 -14.758 2.489 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.594 -14.406 4.534 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.823 -15.352 4.943 1.00 0.00 H new ATOM 0 HG2 GLN A 57 1.281 -15.901 2.856 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.716 -16.940 4.149 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.045 -15.664 0.929 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.218 -16.825 0.510 1.00 0.00 H new ATOM 840 N GLN A 58 -2.110 -12.037 3.847 1.00 0.00 N ATOM 841 CA GLN A 58 -3.041 -11.186 4.579 1.00 0.00 C ATOM 842 C GLN A 58 -4.103 -10.612 3.646 1.00 0.00 C ATOM 843 O GLN A 58 -5.239 -10.374 4.056 1.00 0.00 O ATOM 844 CB GLN A 58 -2.287 -10.050 5.273 1.00 0.00 C ATOM 845 CG GLN A 58 -0.912 -10.452 5.778 1.00 0.00 C ATOM 846 CD GLN A 58 -0.959 -11.106 7.145 1.00 0.00 C ATOM 847 OE1 GLN A 58 -1.918 -10.932 7.897 1.00 0.00 O ATOM 848 NE2 GLN A 58 0.079 -11.865 7.476 1.00 0.00 N ATOM 0 H GLN A 58 -1.496 -11.536 3.205 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.538 -11.797 5.332 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.180 -9.218 4.577 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.882 -9.690 6.112 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.455 -11.139 5.066 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.274 -9.569 5.824 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.854 -11.983 6.823 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.102 -12.330 8.383 1.00 0.00 H new ATOM 857 N CYS A 59 -3.724 -10.391 2.392 1.00 0.00 N ATOM 858 CA CYS A 59 -4.644 -9.843 1.401 1.00 0.00 C ATOM 859 C CYS A 59 -5.567 -10.930 0.858 1.00 0.00 C ATOM 860 O CYS A 59 -5.114 -11.887 0.228 1.00 0.00 O ATOM 861 CB CYS A 59 -3.866 -9.198 0.254 1.00 0.00 C ATOM 862 SG CYS A 59 -2.648 -7.972 0.788 1.00 0.00 S ATOM 0 H CYS A 59 -2.787 -10.583 2.037 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.254 -9.083 1.888 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.357 -9.979 -0.310 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.571 -8.722 -0.427 1.00 0.00 H new ATOM 0 HG CYS A 59 -1.483 -8.274 0.296 1.00 0.00 H new ATOM 868 N THR A 60 -6.864 -10.776 1.106 1.00 0.00 N ATOM 869 CA THR A 60 -7.850 -11.744 0.645 1.00 0.00 C ATOM 870 C THR A 60 -9.034 -11.050 -0.019 1.00 0.00 C ATOM 871 O THR A 60 -9.111 -9.821 -0.043 1.00 0.00 O ATOM 872 CB THR A 60 -8.366 -12.617 1.804 1.00 0.00 C ATOM 873 OG1 THR A 60 -9.251 -11.857 2.634 1.00 0.00 O ATOM 874 CG2 THR A 60 -7.210 -13.146 2.640 1.00 0.00 C ATOM 0 H THR A 60 -7.256 -9.989 1.624 1.00 0.00 H new ATOM 0 HA THR A 60 -7.349 -12.381 -0.085 1.00 0.00 H new ATOM 0 HB THR A 60 -8.904 -13.464 1.379 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.823 -11.686 3.499 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.599 -13.760 3.452 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.553 -13.749 2.013 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.648 -12.309 3.055 1.00 0.00 H new ATOM 882 N ASP A 61 -9.954 -11.843 -0.556 1.00 0.00 N ATOM 883 CA ASP A 61 -11.136 -11.304 -1.219 1.00 0.00 C ATOM 884 C ASP A 61 -12.164 -10.829 -0.196 1.00 0.00 C ATOM 885 O ASP A 61 -13.258 -10.396 -0.556 1.00 0.00 O ATOM 886 CB ASP A 61 -11.758 -12.358 -2.135 1.00 0.00 C ATOM 887 CG ASP A 61 -10.793 -12.844 -3.199 1.00 0.00 C ATOM 888 OD1 ASP A 61 -10.549 -12.093 -4.166 1.00 0.00 O ATOM 889 OD2 ASP A 61 -10.281 -13.975 -3.062 1.00 0.00 O ATOM 0 H ASP A 61 -9.904 -12.862 -0.545 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.827 -10.449 -1.820 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.090 -13.206 -1.535 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.643 -11.941 -2.615 1.00 0.00 H new ATOM 894 N ASP A 62 -11.805 -10.916 1.080 1.00 0.00 N ATOM 895 CA ASP A 62 -12.696 -10.496 2.155 1.00 0.00 C ATOM 896 C ASP A 62 -12.055 -9.394 2.992 1.00 0.00 C ATOM 897 O ASP A 62 -12.453 -9.155 4.132 1.00 0.00 O ATOM 898 CB ASP A 62 -13.052 -11.688 3.046 1.00 0.00 C ATOM 899 CG ASP A 62 -11.834 -12.298 3.710 1.00 0.00 C ATOM 900 OD1 ASP A 62 -11.226 -11.625 4.568 1.00 0.00 O ATOM 901 OD2 ASP A 62 -11.488 -13.450 3.372 1.00 0.00 O ATOM 0 H ASP A 62 -10.903 -11.274 1.395 1.00 0.00 H new ATOM 0 HA ASP A 62 -13.608 -10.103 1.705 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -13.758 -11.367 3.812 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -13.555 -12.448 2.448 1.00 0.00 H new ATOM 906 N VAL A 63 -11.060 -8.725 2.418 1.00 0.00 N ATOM 907 CA VAL A 63 -10.364 -7.647 3.111 1.00 0.00 C ATOM 908 C VAL A 63 -9.689 -6.703 2.122 1.00 0.00 C ATOM 909 O VAL A 63 -9.344 -7.099 1.008 1.00 0.00 O ATOM 910 CB VAL A 63 -9.304 -8.197 4.083 1.00 0.00 C ATOM 911 CG1 VAL A 63 -8.242 -8.981 3.328 1.00 0.00 C ATOM 912 CG2 VAL A 63 -8.675 -7.065 4.882 1.00 0.00 C ATOM 0 H VAL A 63 -10.718 -8.910 1.475 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.116 -7.098 3.678 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.794 -8.875 4.781 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.502 -9.362 4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.709 -9.816 2.805 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.753 -8.328 2.605 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.928 -7.472 5.564 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.198 -6.360 4.201 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.447 -6.551 5.455 1.00 0.00 H new ATOM 922 N ARG A 64 -9.503 -5.454 2.536 1.00 0.00 N ATOM 923 CA ARG A 64 -8.870 -4.454 1.686 1.00 0.00 C ATOM 924 C ARG A 64 -8.053 -3.471 2.519 1.00 0.00 C ATOM 925 O ARG A 64 -8.549 -2.906 3.494 1.00 0.00 O ATOM 926 CB ARG A 64 -9.925 -3.699 0.877 1.00 0.00 C ATOM 927 CG ARG A 64 -10.960 -2.991 1.736 1.00 0.00 C ATOM 928 CD ARG A 64 -12.154 -3.890 2.024 1.00 0.00 C ATOM 929 NE ARG A 64 -12.974 -3.376 3.117 1.00 0.00 N ATOM 930 CZ ARG A 64 -12.917 -3.841 4.360 1.00 0.00 C ATOM 931 NH1 ARG A 64 -12.081 -4.823 4.667 1.00 0.00 N ATOM 932 NH2 ARG A 64 -13.696 -3.321 5.301 1.00 0.00 N ATOM 0 H ARG A 64 -9.782 -5.111 3.455 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.198 -4.970 1.001 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.428 -2.965 0.243 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.433 -4.400 0.215 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.503 -2.679 2.675 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.298 -2.087 1.230 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.764 -3.982 1.125 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.802 -4.891 2.274 1.00 0.00 H new ATOM 0 HE ARG A 64 -13.626 -2.618 2.915 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.479 -5.224 3.948 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.040 -5.178 5.622 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -14.339 -2.564 5.070 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.651 -3.679 6.255 1.00 0.00 H new ATOM 946 N LEU A 65 -6.799 -3.271 2.130 1.00 0.00 N ATOM 947 CA LEU A 65 -5.912 -2.357 2.840 1.00 0.00 C ATOM 948 C LEU A 65 -4.663 -2.061 2.019 1.00 0.00 C ATOM 949 O LEU A 65 -4.336 -2.789 1.080 1.00 0.00 O ATOM 950 CB LEU A 65 -5.518 -2.948 4.197 1.00 0.00 C ATOM 951 CG LEU A 65 -4.915 -4.351 4.140 1.00 0.00 C ATOM 952 CD1 LEU A 65 -5.940 -5.352 3.630 1.00 0.00 C ATOM 953 CD2 LEU A 65 -3.673 -4.363 3.261 1.00 0.00 C ATOM 0 H LEU A 65 -6.373 -3.731 1.325 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.448 -1.421 3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.800 -2.280 4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.401 -2.974 4.835 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.624 -4.641 5.149 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.493 -6.345 3.596 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.801 -5.364 4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.262 -5.065 2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.257 -5.370 3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.939 -4.051 2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.932 -3.676 3.669 1.00 0.00 H new ATOM 965 N PHE A 66 -3.966 -0.988 2.378 1.00 0.00 N ATOM 966 CA PHE A 66 -2.751 -0.594 1.672 1.00 0.00 C ATOM 967 C PHE A 66 -1.564 -1.440 2.121 1.00 0.00 C ATOM 968 O PHE A 66 -1.553 -1.978 3.227 1.00 0.00 O ATOM 969 CB PHE A 66 -2.455 0.888 1.912 1.00 0.00 C ATOM 970 CG PHE A 66 -3.648 1.778 1.708 1.00 0.00 C ATOM 971 CD1 PHE A 66 -4.607 1.912 2.700 1.00 0.00 C ATOM 972 CD2 PHE A 66 -3.810 2.481 0.525 1.00 0.00 C ATOM 973 CE1 PHE A 66 -5.706 2.729 2.514 1.00 0.00 C ATOM 974 CE2 PHE A 66 -4.907 3.301 0.333 1.00 0.00 C ATOM 975 CZ PHE A 66 -5.855 3.426 1.330 1.00 0.00 C ATOM 0 H PHE A 66 -4.221 -0.376 3.153 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.910 -0.758 0.606 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.086 1.016 2.929 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.657 1.204 1.241 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.494 1.372 3.628 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.071 2.387 -0.257 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.448 2.823 3.293 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.022 3.842 -0.594 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.711 4.068 1.184 1.00 0.00 H new ATOM 985 N ALA A 67 -0.564 -1.553 1.252 1.00 0.00 N ATOM 986 CA ALA A 67 0.629 -2.333 1.558 1.00 0.00 C ATOM 987 C ALA A 67 1.882 -1.653 1.016 1.00 0.00 C ATOM 988 O ALA A 67 2.132 -1.660 -0.190 1.00 0.00 O ATOM 989 CB ALA A 67 0.501 -3.739 0.991 1.00 0.00 C ATOM 0 H ALA A 67 -0.557 -1.114 0.331 1.00 0.00 H new ATOM 0 HA ALA A 67 0.723 -2.399 2.642 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.399 -4.310 1.227 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.367 -4.231 1.430 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.379 -3.685 -0.091 1.00 0.00 H new ATOM 995 N PHE A 68 2.667 -1.066 1.914 1.00 0.00 N ATOM 996 CA PHE A 68 3.894 -0.380 1.525 1.00 0.00 C ATOM 997 C PHE A 68 5.090 -1.324 1.595 1.00 0.00 C ATOM 998 O PHE A 68 5.501 -1.744 2.677 1.00 0.00 O ATOM 999 CB PHE A 68 4.133 0.833 2.426 1.00 0.00 C ATOM 1000 CG PHE A 68 5.435 1.531 2.158 1.00 0.00 C ATOM 1001 CD1 PHE A 68 6.628 1.003 2.623 1.00 0.00 C ATOM 1002 CD2 PHE A 68 5.466 2.717 1.440 1.00 0.00 C ATOM 1003 CE1 PHE A 68 7.828 1.644 2.378 1.00 0.00 C ATOM 1004 CE2 PHE A 68 6.663 3.361 1.192 1.00 0.00 C ATOM 1005 CZ PHE A 68 7.846 2.825 1.663 1.00 0.00 C ATOM 0 H PHE A 68 2.475 -1.052 2.916 1.00 0.00 H new ATOM 0 HA PHE A 68 3.781 -0.042 0.495 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.316 1.542 2.292 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.109 0.512 3.467 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.621 0.080 3.183 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.544 3.142 1.071 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.751 1.221 2.746 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.674 4.283 0.630 1.00 0.00 H new ATOM 0 HZ PHE A 68 8.782 3.328 1.472 1.00 0.00 H new ATOM 1015 N VAL A 69 5.644 -1.655 0.433 1.00 0.00 N ATOM 1016 CA VAL A 69 6.794 -2.549 0.361 1.00 0.00 C ATOM 1017 C VAL A 69 8.017 -1.828 -0.195 1.00 0.00 C ATOM 1018 O VAL A 69 7.894 -0.924 -1.022 1.00 0.00 O ATOM 1019 CB VAL A 69 6.494 -3.780 -0.515 1.00 0.00 C ATOM 1020 CG1 VAL A 69 7.707 -4.694 -0.585 1.00 0.00 C ATOM 1021 CG2 VAL A 69 5.282 -4.529 0.017 1.00 0.00 C ATOM 0 H VAL A 69 5.315 -1.317 -0.472 1.00 0.00 H new ATOM 0 HA VAL A 69 7.003 -2.879 1.379 1.00 0.00 H new ATOM 0 HB VAL A 69 6.267 -3.439 -1.525 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.476 -5.558 -1.208 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.548 -4.150 -1.016 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.968 -5.030 0.419 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.084 -5.396 -0.614 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.477 -4.860 1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.414 -3.869 0.009 1.00 0.00 H new ATOM 1031 N ARG A 70 9.197 -2.235 0.262 1.00 0.00 N ATOM 1032 CA ARG A 70 10.442 -1.627 -0.189 1.00 0.00 C ATOM 1033 C ARG A 70 10.949 -2.307 -1.458 1.00 0.00 C ATOM 1034 O ARG A 70 11.061 -3.532 -1.516 1.00 0.00 O ATOM 1035 CB ARG A 70 11.504 -1.715 0.908 1.00 0.00 C ATOM 1036 CG ARG A 70 12.913 -1.419 0.419 1.00 0.00 C ATOM 1037 CD ARG A 70 13.941 -1.628 1.519 1.00 0.00 C ATOM 1038 NE ARG A 70 15.250 -1.992 0.983 1.00 0.00 N ATOM 1039 CZ ARG A 70 16.318 -2.212 1.741 1.00 0.00 C ATOM 1040 NH1 ARG A 70 16.233 -2.107 3.059 1.00 0.00 N ATOM 1041 NH2 ARG A 70 17.475 -2.539 1.179 1.00 0.00 N ATOM 0 H ARG A 70 9.316 -2.984 0.945 1.00 0.00 H new ATOM 0 HA ARG A 70 10.246 -0.578 -0.412 1.00 0.00 H new ATOM 0 HB2 ARG A 70 11.250 -1.015 1.704 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.482 -2.714 1.343 1.00 0.00 H new ATOM 0 HG2 ARG A 70 13.148 -2.064 -0.427 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.966 -0.391 0.061 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.032 -0.716 2.108 1.00 0.00 H new ATOM 0 HD3 ARG A 70 13.595 -2.411 2.194 1.00 0.00 H new ATOM 0 HE ARG A 70 15.349 -2.082 -0.028 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.345 -1.857 3.494 1.00 0.00 H new ATOM 0 HH12 ARG A 70 17.055 -2.277 3.638 1.00 0.00 H new ATOM 0 HH21 ARG A 70 17.544 -2.621 0.165 1.00 0.00 H new ATOM 0 HH22 ARG A 70 18.295 -2.708 1.761 1.00 0.00 H new ATOM 1239 N PHE A 83 10.137 1.942 -3.174 1.00 0.00 N ATOM 1240 CA PHE A 83 8.960 1.448 -2.468 1.00 0.00 C ATOM 1241 C PHE A 83 7.716 1.553 -3.344 1.00 0.00 C ATOM 1242 O PHE A 83 7.800 1.906 -4.520 1.00 0.00 O ATOM 1243 CB PHE A 83 8.752 2.232 -1.170 1.00 0.00 C ATOM 1244 CG PHE A 83 9.994 2.348 -0.333 1.00 0.00 C ATOM 1245 CD1 PHE A 83 10.928 3.339 -0.590 1.00 0.00 C ATOM 1246 CD2 PHE A 83 10.227 1.466 0.709 1.00 0.00 C ATOM 1247 CE1 PHE A 83 12.072 3.448 0.179 1.00 0.00 C ATOM 1248 CE2 PHE A 83 11.369 1.572 1.482 1.00 0.00 C ATOM 1249 CZ PHE A 83 12.292 2.562 1.215 1.00 0.00 C ATOM 0 HA PHE A 83 9.125 0.398 -2.228 1.00 0.00 H new ATOM 0 HB2 PHE A 83 8.393 3.232 -1.413 1.00 0.00 H new ATOM 0 HB3 PHE A 83 7.972 1.747 -0.583 1.00 0.00 H new ATOM 0 HD1 PHE A 83 10.761 4.034 -1.400 1.00 0.00 H new ATOM 0 HD2 PHE A 83 9.509 0.687 0.920 1.00 0.00 H new ATOM 0 HE1 PHE A 83 12.792 4.225 -0.030 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.538 0.880 2.294 1.00 0.00 H new ATOM 0 HZ PHE A 83 13.186 2.644 1.816 1.00 0.00 H new ATOM 1259 N ALA A 84 6.562 1.243 -2.763 1.00 0.00 N ATOM 1260 CA ALA A 84 5.300 1.304 -3.490 1.00 0.00 C ATOM 1261 C ALA A 84 4.125 0.965 -2.578 1.00 0.00 C ATOM 1262 O ALA A 84 4.148 -0.038 -1.867 1.00 0.00 O ATOM 1263 CB ALA A 84 5.333 0.362 -4.684 1.00 0.00 C ATOM 0 H ALA A 84 6.475 0.947 -1.791 1.00 0.00 H new ATOM 0 HA ALA A 84 5.165 2.324 -3.850 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.384 0.418 -5.218 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.143 0.651 -5.353 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.495 -0.659 -4.338 1.00 0.00 H new ATOM 1269 N LEU A 85 3.099 1.809 -2.605 1.00 0.00 N ATOM 1270 CA LEU A 85 1.914 1.599 -1.780 1.00 0.00 C ATOM 1271 C LEU A 85 0.897 0.721 -2.501 1.00 0.00 C ATOM 1272 O LEU A 85 0.019 1.220 -3.205 1.00 0.00 O ATOM 1273 CB LEU A 85 1.278 2.942 -1.414 1.00 0.00 C ATOM 1274 CG LEU A 85 0.455 2.939 -0.126 1.00 0.00 C ATOM 1275 CD1 LEU A 85 1.324 2.562 1.062 1.00 0.00 C ATOM 1276 CD2 LEU A 85 -0.193 4.297 0.095 1.00 0.00 C ATOM 0 H LEU A 85 3.064 2.645 -3.189 1.00 0.00 H new ATOM 0 HA LEU A 85 2.223 1.090 -0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.068 3.687 -1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.636 3.259 -2.236 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.334 2.193 -0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.721 2.565 1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.741 1.567 0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.135 3.283 1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.775 4.277 1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.581 5.061 0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.850 4.528 -0.744 1.00 0.00 H new ATOM 1288 N ILE A 86 1.024 -0.589 -2.322 1.00 0.00 N ATOM 1289 CA ILE A 86 0.117 -1.538 -2.956 1.00 0.00 C ATOM 1290 C ILE A 86 -1.241 -1.546 -2.262 1.00 0.00 C ATOM 1291 O ILE A 86 -1.393 -2.103 -1.174 1.00 0.00 O ATOM 1292 CB ILE A 86 0.696 -2.966 -2.944 1.00 0.00 C ATOM 1293 CG1 ILE A 86 1.963 -3.032 -3.798 1.00 0.00 C ATOM 1294 CG2 ILE A 86 -0.341 -3.960 -3.446 1.00 0.00 C ATOM 1295 CD1 ILE A 86 2.970 -4.048 -3.305 1.00 0.00 C ATOM 0 H ILE A 86 1.746 -1.018 -1.743 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.007 -1.215 -3.990 1.00 0.00 H new ATOM 0 HB ILE A 86 0.958 -3.229 -1.919 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.688 -3.274 -4.825 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.431 -2.048 -3.817 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.081 -4.965 -3.432 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.219 -3.927 -2.801 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.629 -3.702 -4.465 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.843 -4.041 -3.957 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.274 -3.796 -2.289 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.519 -5.040 -3.313 1.00 0.00 H new ATOM 1307 N THR A 87 -2.229 -0.924 -2.900 1.00 0.00 N ATOM 1308 CA THR A 87 -3.575 -0.861 -2.344 1.00 0.00 C ATOM 1309 C THR A 87 -4.372 -2.114 -2.689 1.00 0.00 C ATOM 1310 O THR A 87 -4.852 -2.267 -3.812 1.00 0.00 O ATOM 1311 CB THR A 87 -4.336 0.376 -2.860 1.00 0.00 C ATOM 1312 OG1 THR A 87 -3.751 1.569 -2.326 1.00 0.00 O ATOM 1313 CG2 THR A 87 -5.805 0.307 -2.470 1.00 0.00 C ATOM 0 H THR A 87 -2.122 -0.458 -3.801 1.00 0.00 H new ATOM 0 HA THR A 87 -3.468 -0.789 -1.262 1.00 0.00 H new ATOM 0 HB THR A 87 -4.265 0.393 -3.948 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.174 1.786 -1.469 1.00 0.00 H new ATOM 0 HG21 THR A 87 -6.323 1.190 -2.844 1.00 0.00 H new ATOM 0 HG22 THR A 87 -6.254 -0.587 -2.902 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.892 0.269 -1.384 1.00 0.00 H new ATOM 1321 N TRP A 88 -4.510 -3.007 -1.715 1.00 0.00 N ATOM 1322 CA TRP A 88 -5.251 -4.247 -1.916 1.00 0.00 C ATOM 1323 C TRP A 88 -6.742 -4.036 -1.682 1.00 0.00 C ATOM 1324 O TRP A 88 -7.139 -3.280 -0.794 1.00 0.00 O ATOM 1325 CB TRP A 88 -4.725 -5.336 -0.981 1.00 0.00 C ATOM 1326 CG TRP A 88 -5.575 -6.571 -0.968 1.00 0.00 C ATOM 1327 CD1 TRP A 88 -6.322 -7.040 0.074 1.00 0.00 C ATOM 1328 CD2 TRP A 88 -5.763 -7.493 -2.047 1.00 0.00 C ATOM 1329 NE1 TRP A 88 -6.964 -8.199 -0.292 1.00 0.00 N ATOM 1330 CE2 TRP A 88 -6.638 -8.497 -1.588 1.00 0.00 C ATOM 1331 CE3 TRP A 88 -5.280 -7.567 -3.356 1.00 0.00 C ATOM 1332 CZ2 TRP A 88 -7.037 -9.561 -2.394 1.00 0.00 C ATOM 1333 CZ3 TRP A 88 -5.675 -8.624 -4.153 1.00 0.00 C ATOM 1334 CH2 TRP A 88 -6.548 -9.608 -3.670 1.00 0.00 C ATOM 0 H TRP A 88 -4.119 -2.896 -0.780 1.00 0.00 H new ATOM 0 HA TRP A 88 -5.107 -4.563 -2.949 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -3.712 -5.604 -1.281 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -4.662 -4.936 0.031 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -6.397 -6.570 1.043 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -7.583 -8.748 0.305 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -4.610 -6.811 -3.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -7.709 -10.322 -2.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.305 -8.693 -5.165 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.841 -10.420 -4.319 1.00 0.00 H new ATOM 1345 N ILE A 89 -7.564 -4.707 -2.482 1.00 0.00 N ATOM 1346 CA ILE A 89 -9.012 -4.591 -2.359 1.00 0.00 C ATOM 1347 C ILE A 89 -9.704 -5.882 -2.783 1.00 0.00 C ATOM 1348 O ILE A 89 -9.885 -6.141 -3.972 1.00 0.00 O ATOM 1349 CB ILE A 89 -9.558 -3.428 -3.206 1.00 0.00 C ATOM 1350 CG1 ILE A 89 -8.906 -2.110 -2.782 1.00 0.00 C ATOM 1351 CG2 ILE A 89 -11.072 -3.342 -3.076 1.00 0.00 C ATOM 1352 CD1 ILE A 89 -9.185 -0.965 -3.730 1.00 0.00 C ATOM 0 H ILE A 89 -7.252 -5.336 -3.222 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.225 -4.395 -1.308 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.313 -3.614 -4.252 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.261 -1.842 -1.787 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.828 -2.255 -2.707 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -11.443 -2.515 -3.681 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -11.520 -4.273 -3.422 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.339 -3.176 -2.032 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.692 -0.063 -3.367 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.805 -1.212 -4.721 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.260 -0.793 -3.786 1.00 0.00 H new ATOM 1364 N GLY A 90 -10.091 -6.691 -1.800 1.00 0.00 N ATOM 1365 CA GLY A 90 -10.760 -7.945 -2.091 1.00 0.00 C ATOM 1366 C GLY A 90 -11.652 -7.855 -3.313 1.00 0.00 C ATOM 1367 O GLY A 90 -12.412 -6.899 -3.465 1.00 0.00 O ATOM 0 H GLY A 90 -9.953 -6.499 -0.808 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.014 -8.724 -2.246 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.358 -8.243 -1.230 1.00 0.00 H new ATOM 1371 N GLU A 91 -11.561 -8.854 -4.186 1.00 0.00 N ATOM 1372 CA GLU A 91 -12.365 -8.882 -5.402 1.00 0.00 C ATOM 1373 C GLU A 91 -13.805 -9.279 -5.092 1.00 0.00 C ATOM 1374 O GLU A 91 -14.615 -9.476 -5.999 1.00 0.00 O ATOM 1375 CB GLU A 91 -11.762 -9.855 -6.417 1.00 0.00 C ATOM 1376 CG GLU A 91 -12.157 -9.557 -7.853 1.00 0.00 C ATOM 1377 CD GLU A 91 -11.553 -8.264 -8.369 1.00 0.00 C ATOM 1378 OE1 GLU A 91 -10.423 -8.308 -8.897 1.00 0.00 O ATOM 1379 OE2 GLU A 91 -12.210 -7.210 -8.242 1.00 0.00 O ATOM 0 H GLU A 91 -10.939 -9.654 -4.073 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.367 -7.879 -5.829 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.676 -9.826 -6.334 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.074 -10.869 -6.166 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.840 -10.382 -8.491 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.243 -9.499 -7.922 1.00 0.00 H new ATOM 1386 N ASP A 92 -14.117 -9.394 -3.806 1.00 0.00 N ATOM 1387 CA ASP A 92 -15.459 -9.768 -3.376 1.00 0.00 C ATOM 1388 C ASP A 92 -16.133 -8.617 -2.635 1.00 0.00 C ATOM 1389 O ASP A 92 -17.357 -8.485 -2.651 1.00 0.00 O ATOM 1390 CB ASP A 92 -15.404 -11.006 -2.478 1.00 0.00 C ATOM 1391 CG ASP A 92 -16.673 -11.832 -2.553 1.00 0.00 C ATOM 1392 OD1 ASP A 92 -16.774 -12.682 -3.463 1.00 0.00 O ATOM 1393 OD2 ASP A 92 -17.566 -11.629 -1.704 1.00 0.00 O ATOM 0 H ASP A 92 -13.459 -9.234 -3.043 1.00 0.00 H new ATOM 0 HA ASP A 92 -16.047 -9.999 -4.264 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -14.554 -11.624 -2.768 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -15.236 -10.696 -1.447 1.00 0.00 H new ATOM 1398 N VAL A 93 -15.324 -7.786 -1.983 1.00 0.00 N ATOM 1399 CA VAL A 93 -15.841 -6.645 -1.236 1.00 0.00 C ATOM 1400 C VAL A 93 -16.808 -5.825 -2.084 1.00 0.00 C ATOM 1401 O VAL A 93 -16.701 -5.794 -3.310 1.00 0.00 O ATOM 1402 CB VAL A 93 -14.703 -5.731 -0.747 1.00 0.00 C ATOM 1403 CG1 VAL A 93 -13.768 -6.492 0.181 1.00 0.00 C ATOM 1404 CG2 VAL A 93 -13.938 -5.155 -1.929 1.00 0.00 C ATOM 0 H VAL A 93 -14.309 -7.882 -1.957 1.00 0.00 H new ATOM 0 HA VAL A 93 -16.370 -7.047 -0.372 1.00 0.00 H new ATOM 0 HB VAL A 93 -15.140 -4.904 -0.187 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -12.970 -5.830 0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.327 -6.853 1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.336 -7.339 -0.352 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -13.137 -4.511 -1.565 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -13.512 -5.968 -2.517 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -14.616 -4.573 -2.553 1.00 0.00 H new ATOM 1414 N SER A 94 -17.751 -5.162 -1.422 1.00 0.00 N ATOM 1415 CA SER A 94 -18.739 -4.345 -2.114 1.00 0.00 C ATOM 1416 C SER A 94 -18.087 -3.112 -2.733 1.00 0.00 C ATOM 1417 O SER A 94 -17.185 -2.513 -2.148 1.00 0.00 O ATOM 1418 CB SER A 94 -19.847 -3.918 -1.149 1.00 0.00 C ATOM 1419 OG SER A 94 -20.937 -3.341 -1.847 1.00 0.00 O ATOM 0 H SER A 94 -17.851 -5.175 -0.407 1.00 0.00 H new ATOM 0 HA SER A 94 -19.174 -4.946 -2.913 1.00 0.00 H new ATOM 0 HB2 SER A 94 -20.191 -4.782 -0.581 1.00 0.00 H new ATOM 0 HB3 SER A 94 -19.451 -3.201 -0.430 1.00 0.00 H new ATOM 0 HG SER A 94 -21.632 -3.078 -1.208 1.00 0.00 H new ATOM 1425 N GLY A 95 -18.549 -2.740 -3.923 1.00 0.00 N ATOM 1426 CA GLY A 95 -17.999 -1.581 -4.604 1.00 0.00 C ATOM 1427 C GLY A 95 -17.638 -0.464 -3.645 1.00 0.00 C ATOM 1428 O GLY A 95 -16.481 -0.049 -3.573 1.00 0.00 O ATOM 0 H GLY A 95 -19.294 -3.220 -4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -17.111 -1.878 -5.162 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -18.723 -1.212 -5.331 1.00 0.00 H new ATOM 1432 N LEU A 96 -18.630 0.027 -2.909 1.00 0.00 N ATOM 1433 CA LEU A 96 -18.410 1.105 -1.952 1.00 0.00 C ATOM 1434 C LEU A 96 -17.027 0.998 -1.319 1.00 0.00 C ATOM 1435 O LEU A 96 -16.198 1.896 -1.460 1.00 0.00 O ATOM 1436 CB LEU A 96 -19.486 1.074 -0.864 1.00 0.00 C ATOM 1437 CG LEU A 96 -19.855 2.438 -0.280 1.00 0.00 C ATOM 1438 CD1 LEU A 96 -18.717 2.982 0.568 1.00 0.00 C ATOM 1439 CD2 LEU A 96 -20.208 3.415 -1.392 1.00 0.00 C ATOM 0 H LEU A 96 -19.593 -0.304 -2.957 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.471 2.052 -2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -20.385 0.617 -1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -19.144 0.430 -0.054 1.00 0.00 H new ATOM 0 HG LEU A 96 -20.729 2.314 0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -18.999 3.953 0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -18.511 2.292 1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -17.824 3.092 -0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -20.468 4.381 -0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -19.352 3.534 -2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -21.057 3.031 -1.958 1.00 0.00 H new ATOM 1451 N GLN A 97 -16.785 -0.108 -0.622 1.00 0.00 N ATOM 1452 CA GLN A 97 -15.502 -0.332 0.033 1.00 0.00 C ATOM 1453 C GLN A 97 -14.346 0.013 -0.900 1.00 0.00 C ATOM 1454 O GLN A 97 -13.393 0.684 -0.503 1.00 0.00 O ATOM 1455 CB GLN A 97 -15.386 -1.787 0.491 1.00 0.00 C ATOM 1456 CG GLN A 97 -16.030 -2.053 1.841 1.00 0.00 C ATOM 1457 CD GLN A 97 -16.545 -3.473 1.973 1.00 0.00 C ATOM 1458 OE1 GLN A 97 -15.816 -4.375 2.384 1.00 0.00 O ATOM 1459 NE2 GLN A 97 -17.810 -3.679 1.623 1.00 0.00 N ATOM 0 H GLN A 97 -17.460 -0.862 -0.497 1.00 0.00 H new ATOM 0 HA GLN A 97 -15.449 0.321 0.904 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -15.848 -2.432 -0.256 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -14.332 -2.061 0.540 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -15.304 -1.859 2.630 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -16.855 -1.356 1.989 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -18.379 -2.902 1.287 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -18.212 -4.614 1.690 1.00 0.00 H new ATOM 1468 N ARG A 98 -14.437 -0.448 -2.143 1.00 0.00 N ATOM 1469 CA ARG A 98 -13.399 -0.189 -3.133 1.00 0.00 C ATOM 1470 C ARG A 98 -13.395 1.280 -3.546 1.00 0.00 C ATOM 1471 O ARG A 98 -12.348 1.844 -3.859 1.00 0.00 O ATOM 1472 CB ARG A 98 -13.605 -1.075 -4.363 1.00 0.00 C ATOM 1473 CG ARG A 98 -12.436 -1.050 -5.334 1.00 0.00 C ATOM 1474 CD ARG A 98 -12.898 -1.253 -6.769 1.00 0.00 C ATOM 1475 NE ARG A 98 -11.781 -1.258 -7.709 1.00 0.00 N ATOM 1476 CZ ARG A 98 -11.902 -0.953 -8.996 1.00 0.00 C ATOM 1477 NH1 ARG A 98 -13.085 -0.620 -9.494 1.00 0.00 N ATOM 1478 NH2 ARG A 98 -10.838 -0.980 -9.788 1.00 0.00 N ATOM 0 H ARG A 98 -15.220 -1.003 -2.489 1.00 0.00 H new ATOM 0 HA ARG A 98 -12.435 -0.424 -2.681 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -13.774 -2.101 -4.037 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -14.507 -0.754 -4.885 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -11.913 -0.097 -5.251 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -11.723 -1.830 -5.067 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -13.440 -2.196 -6.845 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -13.596 -0.461 -7.040 1.00 0.00 H new ATOM 0 HE ARG A 98 -10.857 -1.510 -7.358 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -13.905 -0.598 -8.888 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -13.175 -0.386 -10.483 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -9.926 -1.235 -9.409 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -10.932 -0.746 -10.776 1.00 0.00 H new ATOM 1492 N ALA A 99 -14.574 1.892 -3.545 1.00 0.00 N ATOM 1493 CA ALA A 99 -14.707 3.295 -3.917 1.00 0.00 C ATOM 1494 C ALA A 99 -14.229 4.209 -2.794 1.00 0.00 C ATOM 1495 O ALA A 99 -13.979 5.396 -3.009 1.00 0.00 O ATOM 1496 CB ALA A 99 -16.151 3.611 -4.278 1.00 0.00 C ATOM 0 H ALA A 99 -15.451 1.438 -3.291 1.00 0.00 H new ATOM 0 HA ALA A 99 -14.078 3.475 -4.789 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -16.235 4.662 -4.554 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -16.460 2.989 -5.118 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -16.793 3.408 -3.421 1.00 0.00 H new ATOM 1502 N LYS A 100 -14.105 3.650 -1.595 1.00 0.00 N ATOM 1503 CA LYS A 100 -13.655 4.414 -0.438 1.00 0.00 C ATOM 1504 C LYS A 100 -12.173 4.173 -0.168 1.00 0.00 C ATOM 1505 O LYS A 100 -11.409 5.115 0.049 1.00 0.00 O ATOM 1506 CB LYS A 100 -14.476 4.037 0.797 1.00 0.00 C ATOM 1507 CG LYS A 100 -15.931 4.468 0.715 1.00 0.00 C ATOM 1508 CD LYS A 100 -16.137 5.849 1.313 1.00 0.00 C ATOM 1509 CE LYS A 100 -16.073 6.933 0.246 1.00 0.00 C ATOM 1510 NZ LYS A 100 -17.416 7.229 -0.326 1.00 0.00 N ATOM 0 H LYS A 100 -14.310 2.670 -1.399 1.00 0.00 H new ATOM 0 HA LYS A 100 -13.799 5.472 -0.655 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -14.433 2.957 0.936 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -14.021 4.490 1.678 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -16.253 4.470 -0.326 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -16.556 3.746 1.241 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -17.103 5.889 1.816 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -15.375 6.036 2.070 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -15.653 7.842 0.677 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -15.400 6.618 -0.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -17.330 7.972 -1.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -17.806 6.368 -0.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -18.052 7.554 0.430 1.00 0.00 H new ATOM 1524 N THR A 101 -11.771 2.906 -0.185 1.00 0.00 N ATOM 1525 CA THR A 101 -10.381 2.542 0.056 1.00 0.00 C ATOM 1526 C THR A 101 -9.440 3.342 -0.836 1.00 0.00 C ATOM 1527 O THR A 101 -8.377 3.782 -0.399 1.00 0.00 O ATOM 1528 CB THR A 101 -10.144 1.039 -0.184 1.00 0.00 C ATOM 1529 OG1 THR A 101 -11.142 0.270 0.498 1.00 0.00 O ATOM 1530 CG2 THR A 101 -8.761 0.625 0.297 1.00 0.00 C ATOM 0 H THR A 101 -12.389 2.115 -0.363 1.00 0.00 H new ATOM 0 HA THR A 101 -10.171 2.773 1.100 1.00 0.00 H new ATOM 0 HB THR A 101 -10.210 0.850 -1.256 1.00 0.00 H new ATOM 0 HG1 THR A 101 -11.968 0.264 -0.030 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.617 -0.440 0.117 1.00 0.00 H new ATOM 0 HG22 THR A 101 -8.003 1.190 -0.245 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.671 0.828 1.364 1.00 0.00 H new ATOM 1538 N GLY A 102 -9.837 3.527 -2.092 1.00 0.00 N ATOM 1539 CA GLY A 102 -9.016 4.276 -3.026 1.00 0.00 C ATOM 1540 C GLY A 102 -9.037 5.766 -2.750 1.00 0.00 C ATOM 1541 O GLY A 102 -8.024 6.450 -2.912 1.00 0.00 O ATOM 0 H GLY A 102 -10.711 3.172 -2.479 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.989 3.914 -2.973 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.367 4.093 -4.042 1.00 0.00 H new ATOM 1545 N THR A 103 -10.192 6.275 -2.335 1.00 0.00 N ATOM 1546 CA THR A 103 -10.341 7.694 -2.039 1.00 0.00 C ATOM 1547 C THR A 103 -9.599 8.070 -0.762 1.00 0.00 C ATOM 1548 O THR A 103 -9.049 9.166 -0.653 1.00 0.00 O ATOM 1549 CB THR A 103 -11.824 8.085 -1.891 1.00 0.00 C ATOM 1550 OG1 THR A 103 -12.529 7.796 -3.104 1.00 0.00 O ATOM 1551 CG2 THR A 103 -11.964 9.562 -1.557 1.00 0.00 C ATOM 0 H THR A 103 -11.039 5.725 -2.196 1.00 0.00 H new ATOM 0 HA THR A 103 -9.911 8.239 -2.880 1.00 0.00 H new ATOM 0 HB THR A 103 -12.251 7.503 -1.074 1.00 0.00 H new ATOM 0 HG1 THR A 103 -13.012 6.949 -3.008 1.00 0.00 H new ATOM 0 HG21 THR A 103 -13.020 9.814 -1.458 1.00 0.00 H new ATOM 0 HG22 THR A 103 -11.451 9.773 -0.619 1.00 0.00 H new ATOM 0 HG23 THR A 103 -11.522 10.159 -2.355 1.00 0.00 H new ATOM 1559 N ASP A 104 -9.587 7.156 0.201 1.00 0.00 N ATOM 1560 CA ASP A 104 -8.910 7.391 1.471 1.00 0.00 C ATOM 1561 C ASP A 104 -7.398 7.264 1.313 1.00 0.00 C ATOM 1562 O ASP A 104 -6.645 7.445 2.270 1.00 0.00 O ATOM 1563 CB ASP A 104 -9.409 6.406 2.530 1.00 0.00 C ATOM 1564 CG ASP A 104 -10.903 6.513 2.761 1.00 0.00 C ATOM 1565 OD1 ASP A 104 -11.427 7.647 2.744 1.00 0.00 O ATOM 1566 OD2 ASP A 104 -11.549 5.462 2.958 1.00 0.00 O ATOM 0 H ASP A 104 -10.039 6.245 0.127 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.139 8.407 1.794 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -9.164 5.390 2.221 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -8.885 6.589 3.468 1.00 0.00 H new ATOM 1571 N LYS A 105 -6.960 6.950 0.098 1.00 0.00 N ATOM 1572 CA LYS A 105 -5.538 6.799 -0.187 1.00 0.00 C ATOM 1573 C LYS A 105 -4.785 8.093 0.102 1.00 0.00 C ATOM 1574 O LYS A 105 -3.651 8.070 0.582 1.00 0.00 O ATOM 1575 CB LYS A 105 -5.331 6.392 -1.648 1.00 0.00 C ATOM 1576 CG LYS A 105 -3.897 6.548 -2.126 1.00 0.00 C ATOM 1577 CD LYS A 105 -3.815 6.573 -3.643 1.00 0.00 C ATOM 1578 CE LYS A 105 -4.751 7.616 -4.235 1.00 0.00 C ATOM 1579 NZ LYS A 105 -4.220 8.177 -5.508 1.00 0.00 N ATOM 0 H LYS A 105 -7.570 6.795 -0.705 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.144 6.017 0.462 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.636 5.353 -1.774 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.983 6.994 -2.280 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -3.476 7.469 -1.723 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.293 5.726 -1.741 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -2.791 6.786 -3.950 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -4.068 5.589 -4.038 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -5.728 7.167 -4.415 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -4.898 8.422 -3.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -4.886 8.884 -5.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -3.299 8.628 -5.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -4.103 7.412 -6.203 1.00 0.00 H new ATOM 1593 N THR A 106 -5.421 9.222 -0.191 1.00 0.00 N ATOM 1594 CA THR A 106 -4.812 10.526 0.038 1.00 0.00 C ATOM 1595 C THR A 106 -4.342 10.667 1.482 1.00 0.00 C ATOM 1596 O THR A 106 -3.430 11.440 1.775 1.00 0.00 O ATOM 1597 CB THR A 106 -5.791 11.669 -0.286 1.00 0.00 C ATOM 1598 OG1 THR A 106 -6.342 11.487 -1.595 1.00 0.00 O ATOM 1599 CG2 THR A 106 -5.092 13.019 -0.208 1.00 0.00 C ATOM 0 H THR A 106 -6.360 9.260 -0.588 1.00 0.00 H new ATOM 0 HA THR A 106 -3.953 10.595 -0.629 1.00 0.00 H new ATOM 0 HB THR A 106 -6.594 11.649 0.451 1.00 0.00 H new ATOM 0 HG1 THR A 106 -6.965 12.217 -1.792 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.804 13.811 -0.441 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.699 13.168 0.798 1.00 0.00 H new ATOM 0 HG23 THR A 106 -4.272 13.046 -0.925 1.00 0.00 H new ATOM 1607 N LEU A 107 -4.971 9.917 2.379 1.00 0.00 N ATOM 1608 CA LEU A 107 -4.617 9.958 3.794 1.00 0.00 C ATOM 1609 C LEU A 107 -3.384 9.104 4.071 1.00 0.00 C ATOM 1610 O LEU A 107 -2.459 9.534 4.760 1.00 0.00 O ATOM 1611 CB LEU A 107 -5.791 9.474 4.648 1.00 0.00 C ATOM 1612 CG LEU A 107 -7.175 9.841 4.114 1.00 0.00 C ATOM 1613 CD1 LEU A 107 -8.237 9.611 5.178 1.00 0.00 C ATOM 1614 CD2 LEU A 107 -7.197 11.287 3.641 1.00 0.00 C ATOM 0 H LEU A 107 -5.729 9.273 2.152 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.387 10.991 4.057 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.730 8.390 4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.685 9.886 5.651 1.00 0.00 H new ATOM 0 HG LEU A 107 -7.397 9.197 3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -9.216 9.878 4.779 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -8.238 8.561 5.470 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -8.019 10.229 6.049 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -8.190 11.531 3.264 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -6.953 11.946 4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.464 11.421 2.846 1.00 0.00 H new ATOM 1626 N VAL A 108 -3.379 7.890 3.530 1.00 0.00 N ATOM 1627 CA VAL A 108 -2.259 6.975 3.717 1.00 0.00 C ATOM 1628 C VAL A 108 -1.008 7.484 3.011 1.00 0.00 C ATOM 1629 O VAL A 108 0.114 7.143 3.387 1.00 0.00 O ATOM 1630 CB VAL A 108 -2.593 5.565 3.193 1.00 0.00 C ATOM 1631 CG1 VAL A 108 -1.384 4.650 3.313 1.00 0.00 C ATOM 1632 CG2 VAL A 108 -3.785 4.987 3.942 1.00 0.00 C ATOM 0 H VAL A 108 -4.138 7.517 2.959 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.070 6.922 4.789 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.857 5.642 2.138 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.639 3.659 2.938 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.560 5.058 2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.086 4.577 4.359 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.007 3.991 3.559 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.551 4.923 5.005 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.652 5.632 3.799 1.00 0.00 H new ATOM 1642 N LYS A 109 -1.207 8.304 1.985 1.00 0.00 N ATOM 1643 CA LYS A 109 -0.095 8.863 1.225 1.00 0.00 C ATOM 1644 C LYS A 109 0.577 9.994 1.998 1.00 0.00 C ATOM 1645 O LYS A 109 1.770 10.248 1.830 1.00 0.00 O ATOM 1646 CB LYS A 109 -0.585 9.379 -0.131 1.00 0.00 C ATOM 1647 CG LYS A 109 0.503 10.038 -0.959 1.00 0.00 C ATOM 1648 CD LYS A 109 0.613 11.523 -0.656 1.00 0.00 C ATOM 1649 CE LYS A 109 -0.727 12.226 -0.817 1.00 0.00 C ATOM 1650 NZ LYS A 109 -0.561 13.650 -1.220 1.00 0.00 N ATOM 0 H LYS A 109 -2.129 8.597 1.660 1.00 0.00 H new ATOM 0 HA LYS A 109 0.637 8.071 1.063 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.007 8.548 -0.696 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.390 10.095 0.032 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.458 9.553 -0.758 1.00 0.00 H new ATOM 0 HG3 LYS A 109 0.291 9.897 -2.019 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.978 11.662 0.362 1.00 0.00 H new ATOM 0 HD3 LYS A 109 1.346 11.978 -1.322 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.323 11.704 -1.565 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -1.278 12.176 0.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -1.496 14.094 -1.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -0.013 14.155 -0.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -0.057 13.697 -2.129 1.00 0.00 H new ATOM 1664 N GLU A 110 -0.195 10.668 2.845 1.00 0.00 N ATOM 1665 CA GLU A 110 0.329 11.769 3.643 1.00 0.00 C ATOM 1666 C GLU A 110 1.672 11.400 4.266 1.00 0.00 C ATOM 1667 O GLU A 110 2.643 12.150 4.163 1.00 0.00 O ATOM 1668 CB GLU A 110 -0.667 12.151 4.741 1.00 0.00 C ATOM 1669 CG GLU A 110 -2.075 12.402 4.226 1.00 0.00 C ATOM 1670 CD GLU A 110 -2.126 13.505 3.187 1.00 0.00 C ATOM 1671 OE1 GLU A 110 -1.416 13.394 2.166 1.00 0.00 O ATOM 1672 OE2 GLU A 110 -2.879 14.480 3.395 1.00 0.00 O ATOM 0 H GLU A 110 -1.184 10.471 2.996 1.00 0.00 H new ATOM 0 HA GLU A 110 0.477 12.623 2.983 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -0.698 11.355 5.485 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -0.310 13.047 5.248 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -2.470 11.482 3.794 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -2.723 12.665 5.062 1.00 0.00 H new ATOM 1679 N VAL A 111 1.720 10.240 4.913 1.00 0.00 N ATOM 1680 CA VAL A 111 2.943 9.771 5.552 1.00 0.00 C ATOM 1681 C VAL A 111 3.945 9.269 4.519 1.00 0.00 C ATOM 1682 O VAL A 111 5.141 9.542 4.615 1.00 0.00 O ATOM 1683 CB VAL A 111 2.652 8.642 6.559 1.00 0.00 C ATOM 1684 CG1 VAL A 111 1.911 7.499 5.882 1.00 0.00 C ATOM 1685 CG2 VAL A 111 3.943 8.149 7.194 1.00 0.00 C ATOM 0 H VAL A 111 0.925 9.608 5.008 1.00 0.00 H new ATOM 0 HA VAL A 111 3.369 10.622 6.084 1.00 0.00 H new ATOM 0 HB VAL A 111 2.014 9.039 7.348 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.715 6.711 6.609 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.966 7.865 5.480 1.00 0.00 H new ATOM 0 HG13 VAL A 111 2.520 7.100 5.071 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.719 7.352 7.903 1.00 0.00 H new ATOM 0 HG22 VAL A 111 4.608 7.769 6.418 1.00 0.00 H new ATOM 0 HG23 VAL A 111 4.429 8.973 7.717 1.00 0.00 H new ATOM 1695 N VAL A 112 3.448 8.532 3.530 1.00 0.00 N ATOM 1696 CA VAL A 112 4.300 7.993 2.475 1.00 0.00 C ATOM 1697 C VAL A 112 4.091 8.741 1.164 1.00 0.00 C ATOM 1698 O VAL A 112 3.134 8.480 0.435 1.00 0.00 O ATOM 1699 CB VAL A 112 4.030 6.494 2.248 1.00 0.00 C ATOM 1700 CG1 VAL A 112 2.550 6.186 2.419 1.00 0.00 C ATOM 1701 CG2 VAL A 112 4.515 6.069 0.871 1.00 0.00 C ATOM 0 H VAL A 112 2.460 8.295 3.437 1.00 0.00 H new ATOM 0 HA VAL A 112 5.331 8.123 2.803 1.00 0.00 H new ATOM 0 HB VAL A 112 4.584 5.925 2.995 1.00 0.00 H new ATOM 0 HG11 VAL A 112 2.378 5.122 2.255 1.00 0.00 H new ATOM 0 HG12 VAL A 112 2.237 6.452 3.429 1.00 0.00 H new ATOM 0 HG13 VAL A 112 1.973 6.762 1.696 1.00 0.00 H new ATOM 0 HG21 VAL A 112 4.316 5.007 0.727 1.00 0.00 H new ATOM 0 HG22 VAL A 112 3.990 6.643 0.107 1.00 0.00 H new ATOM 0 HG23 VAL A 112 5.586 6.252 0.790 1.00 0.00 H new ATOM 1711 N GLN A 113 4.993 9.671 0.869 1.00 0.00 N ATOM 1712 CA GLN A 113 4.907 10.457 -0.357 1.00 0.00 C ATOM 1713 C GLN A 113 6.188 10.333 -1.174 1.00 0.00 C ATOM 1714 O GLN A 113 6.195 10.584 -2.378 1.00 0.00 O ATOM 1715 CB GLN A 113 4.638 11.927 -0.026 1.00 0.00 C ATOM 1716 CG GLN A 113 5.466 12.451 1.137 1.00 0.00 C ATOM 1717 CD GLN A 113 5.297 13.942 1.348 1.00 0.00 C ATOM 1718 OE1 GLN A 113 6.262 14.704 1.273 1.00 0.00 O ATOM 1719 NE2 GLN A 113 4.068 14.368 1.612 1.00 0.00 N ATOM 0 H GLN A 113 5.791 9.899 1.461 1.00 0.00 H new ATOM 0 HA GLN A 113 4.080 10.068 -0.952 1.00 0.00 H new ATOM 0 HB2 GLN A 113 4.843 12.533 -0.909 1.00 0.00 H new ATOM 0 HB3 GLN A 113 3.580 12.051 0.207 1.00 0.00 H new ATOM 0 HG2 GLN A 113 5.181 11.924 2.048 1.00 0.00 H new ATOM 0 HG3 GLN A 113 6.518 12.230 0.958 1.00 0.00 H new ATOM 0 HE21 GLN A 113 3.298 13.702 1.665 1.00 0.00 H new ATOM 0 HE22 GLN A 113 3.894 15.362 1.762 1.00 0.00 H new ATOM 1728 N ASN A 114 7.273 9.945 -0.511 1.00 0.00 N ATOM 1729 CA ASN A 114 8.561 9.788 -1.176 1.00 0.00 C ATOM 1730 C ASN A 114 8.600 8.497 -1.989 1.00 0.00 C ATOM 1731 O ASN A 114 9.420 8.346 -2.895 1.00 0.00 O ATOM 1732 CB ASN A 114 9.693 9.789 -0.147 1.00 0.00 C ATOM 1733 CG ASN A 114 10.097 8.389 0.272 1.00 0.00 C ATOM 1734 OD1 ASN A 114 10.033 8.118 1.570 1.00 0.00 O flip ATOM 1735 ND2 ASN A 114 10.460 7.560 -0.563 1.00 0.00 N flip ATOM 0 H ASN A 114 7.285 9.734 0.487 1.00 0.00 H new ATOM 0 HA ASN A 114 8.695 10.629 -1.856 1.00 0.00 H new ATOM 0 HB2 ASN A 114 10.558 10.304 -0.564 1.00 0.00 H new ATOM 0 HB3 ASN A 114 9.380 10.352 0.732 1.00 0.00 H new ATOM 0 HD21 ASN A 114 10.494 7.812 -1.551 1.00 0.00 H new ATOM 0 HD22 ASN A 114 10.727 6.621 -0.267 1.00 0.00 H new ATOM 1742 N PHE A 115 7.707 7.570 -1.660 1.00 0.00 N ATOM 1743 CA PHE A 115 7.639 6.292 -2.359 1.00 0.00 C ATOM 1744 C PHE A 115 7.512 6.502 -3.865 1.00 0.00 C ATOM 1745 O PHE A 115 7.699 7.611 -4.366 1.00 0.00 O ATOM 1746 CB PHE A 115 6.456 5.469 -1.846 1.00 0.00 C ATOM 1747 CG PHE A 115 5.156 5.800 -2.522 1.00 0.00 C ATOM 1748 CD1 PHE A 115 4.920 7.075 -3.012 1.00 0.00 C ATOM 1749 CD2 PHE A 115 4.171 4.837 -2.668 1.00 0.00 C ATOM 1750 CE1 PHE A 115 3.726 7.383 -3.634 1.00 0.00 C ATOM 1751 CE2 PHE A 115 2.975 5.139 -3.291 1.00 0.00 C ATOM 1752 CZ PHE A 115 2.752 6.414 -3.774 1.00 0.00 C ATOM 0 H PHE A 115 7.020 7.680 -0.914 1.00 0.00 H new ATOM 0 HA PHE A 115 8.563 5.749 -2.162 1.00 0.00 H new ATOM 0 HB2 PHE A 115 6.671 4.410 -1.989 1.00 0.00 H new ATOM 0 HB3 PHE A 115 6.350 5.630 -0.773 1.00 0.00 H new ATOM 0 HD1 PHE A 115 5.679 7.836 -2.906 1.00 0.00 H new ATOM 0 HD2 PHE A 115 4.340 3.839 -2.291 1.00 0.00 H new ATOM 0 HE1 PHE A 115 3.554 8.381 -4.011 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.215 4.379 -3.400 1.00 0.00 H new ATOM 0 HZ PHE A 115 1.818 6.653 -4.260 1.00 0.00 H new ATOM 1762 N ALA A 116 7.194 5.429 -4.582 1.00 0.00 N ATOM 1763 CA ALA A 116 7.040 5.495 -6.029 1.00 0.00 C ATOM 1764 C ALA A 116 5.607 5.850 -6.414 1.00 0.00 C ATOM 1765 O ALA A 116 5.339 6.945 -6.909 1.00 0.00 O ATOM 1766 CB ALA A 116 7.448 4.173 -6.664 1.00 0.00 C ATOM 0 H ALA A 116 7.038 4.503 -4.183 1.00 0.00 H new ATOM 0 HA ALA A 116 7.694 6.283 -6.404 1.00 0.00 H new ATOM 0 HB1 ALA A 116 7.328 4.236 -7.746 1.00 0.00 H new ATOM 0 HB2 ALA A 116 8.491 3.962 -6.426 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.818 3.373 -6.275 1.00 0.00 H new ATOM 1772 N LYS A 117 4.690 4.917 -6.184 1.00 0.00 N ATOM 1773 CA LYS A 117 3.284 5.130 -6.506 1.00 0.00 C ATOM 1774 C LYS A 117 2.407 4.079 -5.834 1.00 0.00 C ATOM 1775 O LYS A 117 2.901 3.057 -5.358 1.00 0.00 O ATOM 1776 CB LYS A 117 3.075 5.092 -8.022 1.00 0.00 C ATOM 1777 CG LYS A 117 1.707 4.574 -8.433 1.00 0.00 C ATOM 1778 CD LYS A 117 1.636 4.314 -9.929 1.00 0.00 C ATOM 1779 CE LYS A 117 0.289 3.735 -10.330 1.00 0.00 C ATOM 1780 NZ LYS A 117 -0.691 4.800 -10.679 1.00 0.00 N ATOM 0 H LYS A 117 4.895 4.005 -5.775 1.00 0.00 H new ATOM 0 HA LYS A 117 2.996 6.112 -6.131 1.00 0.00 H new ATOM 0 HB2 LYS A 117 3.211 6.096 -8.425 1.00 0.00 H new ATOM 0 HB3 LYS A 117 3.843 4.462 -8.471 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.488 3.654 -7.892 1.00 0.00 H new ATOM 0 HG3 LYS A 117 0.943 5.299 -8.152 1.00 0.00 H new ATOM 0 HD2 LYS A 117 1.809 5.244 -10.470 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.430 3.625 -10.218 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.420 3.068 -11.182 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -0.105 3.133 -9.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -1.597 4.364 -10.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -0.835 5.422 -9.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -0.327 5.359 -11.477 1.00 0.00 H new ATOM 1794 N GLU A 118 1.102 4.336 -5.799 1.00 0.00 N ATOM 1795 CA GLU A 118 0.158 3.411 -5.186 1.00 0.00 C ATOM 1796 C GLU A 118 -0.276 2.338 -6.180 1.00 0.00 C ATOM 1797 O GLU A 118 -0.789 2.644 -7.257 1.00 0.00 O ATOM 1798 CB GLU A 118 -1.068 4.167 -4.668 1.00 0.00 C ATOM 1799 CG GLU A 118 -2.002 4.639 -5.770 1.00 0.00 C ATOM 1800 CD GLU A 118 -3.104 3.641 -6.067 1.00 0.00 C ATOM 1801 OE1 GLU A 118 -3.464 2.866 -5.156 1.00 0.00 O ATOM 1802 OE2 GLU A 118 -3.607 3.636 -7.210 1.00 0.00 O ATOM 0 H GLU A 118 0.676 5.177 -6.188 1.00 0.00 H new ATOM 0 HA GLU A 118 0.658 2.925 -4.348 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -1.621 3.521 -3.986 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -0.735 5.030 -4.091 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -2.447 5.591 -5.481 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -1.426 4.819 -6.677 1.00 0.00 H new ATOM 1809 N PHE A 119 -0.067 1.078 -5.811 1.00 0.00 N ATOM 1810 CA PHE A 119 -0.434 -0.041 -6.670 1.00 0.00 C ATOM 1811 C PHE A 119 -1.754 -0.661 -6.220 1.00 0.00 C ATOM 1812 O PHE A 119 -1.794 -1.443 -5.271 1.00 0.00 O ATOM 1813 CB PHE A 119 0.668 -1.101 -6.662 1.00 0.00 C ATOM 1814 CG PHE A 119 1.860 -0.733 -7.501 1.00 0.00 C ATOM 1815 CD1 PHE A 119 2.191 0.596 -7.711 1.00 0.00 C ATOM 1816 CD2 PHE A 119 2.648 -1.715 -8.077 1.00 0.00 C ATOM 1817 CE1 PHE A 119 3.286 0.938 -8.482 1.00 0.00 C ATOM 1818 CE2 PHE A 119 3.745 -1.380 -8.849 1.00 0.00 C ATOM 1819 CZ PHE A 119 4.065 -0.051 -9.051 1.00 0.00 C ATOM 0 H PHE A 119 0.355 0.807 -4.923 1.00 0.00 H new ATOM 0 HA PHE A 119 -0.557 0.338 -7.685 1.00 0.00 H new ATOM 0 HB2 PHE A 119 0.994 -1.267 -5.635 1.00 0.00 H new ATOM 0 HB3 PHE A 119 0.257 -2.044 -7.023 1.00 0.00 H new ATOM 0 HD1 PHE A 119 1.587 1.373 -7.267 1.00 0.00 H new ATOM 0 HD2 PHE A 119 2.403 -2.755 -7.921 1.00 0.00 H new ATOM 0 HE1 PHE A 119 3.532 1.978 -8.640 1.00 0.00 H new ATOM 0 HE2 PHE A 119 4.351 -2.156 -9.293 1.00 0.00 H new ATOM 0 HZ PHE A 119 4.922 0.214 -9.652 1.00 0.00 H new ATOM 1829 N VAL A 120 -2.833 -0.306 -6.911 1.00 0.00 N ATOM 1830 CA VAL A 120 -4.156 -0.826 -6.584 1.00 0.00 C ATOM 1831 C VAL A 120 -4.374 -2.202 -7.204 1.00 0.00 C ATOM 1832 O VAL A 120 -4.659 -2.318 -8.396 1.00 0.00 O ATOM 1833 CB VAL A 120 -5.269 0.123 -7.066 1.00 0.00 C ATOM 1834 CG1 VAL A 120 -4.994 0.589 -8.488 1.00 0.00 C ATOM 1835 CG2 VAL A 120 -6.626 -0.556 -6.972 1.00 0.00 C ATOM 0 H VAL A 120 -2.817 0.339 -7.701 1.00 0.00 H new ATOM 0 HA VAL A 120 -4.204 -0.907 -5.498 1.00 0.00 H new ATOM 0 HB VAL A 120 -5.282 0.999 -6.418 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -5.791 1.259 -8.812 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -4.041 1.117 -8.520 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -4.953 -0.274 -9.152 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -7.400 0.129 -7.317 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -6.629 -1.450 -7.595 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -6.823 -0.835 -5.937 1.00 0.00 H new ATOM 1845 N ILE A 121 -4.236 -3.241 -6.388 1.00 0.00 N ATOM 1846 CA ILE A 121 -4.419 -4.610 -6.856 1.00 0.00 C ATOM 1847 C ILE A 121 -5.642 -5.253 -6.211 1.00 0.00 C ATOM 1848 O ILE A 121 -5.923 -5.032 -5.032 1.00 0.00 O ATOM 1849 CB ILE A 121 -3.181 -5.476 -6.561 1.00 0.00 C ATOM 1850 CG1 ILE A 121 -1.909 -4.758 -7.016 1.00 0.00 C ATOM 1851 CG2 ILE A 121 -3.306 -6.829 -7.244 1.00 0.00 C ATOM 1852 CD1 ILE A 121 -0.639 -5.376 -6.473 1.00 0.00 C ATOM 0 H ILE A 121 -3.998 -3.161 -5.399 1.00 0.00 H new ATOM 0 HA ILE A 121 -4.566 -4.558 -7.935 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.118 -5.639 -5.485 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -1.869 -4.763 -8.105 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -1.959 -3.715 -6.703 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -2.423 -7.430 -7.026 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -4.194 -7.342 -6.875 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.391 -6.686 -8.321 1.00 0.00 H new ATOM 0 HD11 ILE A 121 0.223 -4.816 -6.836 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -0.657 -5.347 -5.384 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -0.566 -6.411 -6.807 1.00 0.00 H new ATOM 1864 N SER A 122 -6.364 -6.051 -6.990 1.00 0.00 N ATOM 1865 CA SER A 122 -7.559 -6.726 -6.494 1.00 0.00 C ATOM 1866 C SER A 122 -7.387 -8.241 -6.546 1.00 0.00 C ATOM 1867 O SER A 122 -8.098 -8.981 -5.866 1.00 0.00 O ATOM 1868 CB SER A 122 -8.782 -6.312 -7.315 1.00 0.00 C ATOM 1869 OG SER A 122 -9.983 -6.605 -6.624 1.00 0.00 O ATOM 0 H SER A 122 -6.143 -6.247 -7.966 1.00 0.00 H new ATOM 0 HA SER A 122 -7.710 -6.430 -5.456 1.00 0.00 H new ATOM 0 HB2 SER A 122 -8.734 -5.245 -7.531 1.00 0.00 H new ATOM 0 HB3 SER A 122 -8.774 -6.832 -8.273 1.00 0.00 H new ATOM 0 HG SER A 122 -9.839 -6.504 -5.660 1.00 0.00 H new ATOM 1875 N ASP A 123 -6.439 -8.696 -7.358 1.00 0.00 N ATOM 1876 CA ASP A 123 -6.173 -10.122 -7.499 1.00 0.00 C ATOM 1877 C ASP A 123 -4.788 -10.472 -6.960 1.00 0.00 C ATOM 1878 O ASP A 123 -3.786 -9.885 -7.369 1.00 0.00 O ATOM 1879 CB ASP A 123 -6.284 -10.541 -8.965 1.00 0.00 C ATOM 1880 CG ASP A 123 -6.717 -11.985 -9.124 1.00 0.00 C ATOM 1881 OD1 ASP A 123 -7.766 -12.355 -8.555 1.00 0.00 O ATOM 1882 OD2 ASP A 123 -6.009 -12.744 -9.818 1.00 0.00 O ATOM 0 H ASP A 123 -5.842 -8.097 -7.929 1.00 0.00 H new ATOM 0 HA ASP A 123 -6.918 -10.665 -6.917 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -6.999 -9.893 -9.472 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.321 -10.398 -9.455 1.00 0.00 H new ATOM 1887 N ARG A 124 -4.742 -11.430 -6.041 1.00 0.00 N ATOM 1888 CA ARG A 124 -3.481 -11.857 -5.446 1.00 0.00 C ATOM 1889 C ARG A 124 -2.455 -12.191 -6.524 1.00 0.00 C ATOM 1890 O ARG A 124 -1.263 -11.925 -6.367 1.00 0.00 O ATOM 1891 CB ARG A 124 -3.704 -13.072 -4.544 1.00 0.00 C ATOM 1892 CG ARG A 124 -4.376 -12.737 -3.223 1.00 0.00 C ATOM 1893 CD ARG A 124 -4.027 -13.752 -2.146 1.00 0.00 C ATOM 1894 NE ARG A 124 -4.916 -14.910 -2.178 1.00 0.00 N ATOM 1895 CZ ARG A 124 -5.184 -15.660 -1.115 1.00 0.00 C ATOM 1896 NH1 ARG A 124 -4.635 -15.375 0.057 1.00 0.00 N ATOM 1897 NH2 ARG A 124 -6.003 -16.699 -1.223 1.00 0.00 N ATOM 0 H ARG A 124 -5.563 -11.925 -5.692 1.00 0.00 H new ATOM 0 HA ARG A 124 -3.095 -11.033 -4.846 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -4.314 -13.802 -5.077 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -2.743 -13.545 -4.343 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -4.069 -11.742 -2.900 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -5.457 -12.708 -3.361 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -2.997 -14.082 -2.279 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -4.086 -13.277 -1.167 1.00 0.00 H new ATOM 0 HE ARG A 124 -5.355 -15.156 -3.065 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -4.005 -14.578 0.145 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -4.843 -15.953 0.871 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -6.427 -16.922 -2.123 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -6.208 -17.274 -0.406 1.00 0.00 H new ATOM 1911 N LYS A 125 -2.926 -12.776 -7.621 1.00 0.00 N ATOM 1912 CA LYS A 125 -2.052 -13.146 -8.727 1.00 0.00 C ATOM 1913 C LYS A 125 -1.227 -11.950 -9.192 1.00 0.00 C ATOM 1914 O LYS A 125 -0.247 -12.107 -9.920 1.00 0.00 O ATOM 1915 CB LYS A 125 -2.876 -13.696 -9.893 1.00 0.00 C ATOM 1916 CG LYS A 125 -2.105 -14.654 -10.785 1.00 0.00 C ATOM 1917 CD LYS A 125 -1.861 -15.985 -10.094 1.00 0.00 C ATOM 1918 CE LYS A 125 -3.155 -16.764 -9.914 1.00 0.00 C ATOM 1919 NZ LYS A 125 -2.904 -18.218 -9.713 1.00 0.00 N ATOM 0 H LYS A 125 -3.909 -13.004 -7.767 1.00 0.00 H new ATOM 0 HA LYS A 125 -1.370 -13.920 -8.375 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -3.753 -14.208 -9.497 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -3.238 -12.863 -10.496 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -2.660 -14.819 -11.709 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -1.151 -14.206 -11.062 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -1.157 -16.577 -10.679 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -1.400 -15.812 -9.121 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -3.701 -16.368 -9.058 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -3.789 -16.623 -10.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -3.811 -18.714 -9.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -2.405 -18.602 -10.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -2.321 -18.355 -8.863 1.00 0.00 H new ATOM 1933 N GLU A 126 -1.629 -10.757 -8.765 1.00 0.00 N ATOM 1934 CA GLU A 126 -0.925 -9.536 -9.139 1.00 0.00 C ATOM 1935 C GLU A 126 -0.069 -9.026 -7.983 1.00 0.00 C ATOM 1936 O GLU A 126 0.830 -8.208 -8.176 1.00 0.00 O ATOM 1937 CB GLU A 126 -1.922 -8.456 -9.565 1.00 0.00 C ATOM 1938 CG GLU A 126 -2.467 -8.651 -10.970 1.00 0.00 C ATOM 1939 CD GLU A 126 -2.802 -7.339 -11.653 1.00 0.00 C ATOM 1940 OE1 GLU A 126 -3.835 -6.734 -11.298 1.00 0.00 O ATOM 1941 OE2 GLU A 126 -2.033 -6.917 -12.541 1.00 0.00 O ATOM 0 H GLU A 126 -2.437 -10.610 -8.161 1.00 0.00 H new ATOM 0 HA GLU A 126 -0.270 -9.767 -9.979 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -2.754 -8.443 -8.860 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -1.437 -7.482 -9.504 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -1.733 -9.191 -11.569 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -3.362 -9.272 -10.926 1.00 0.00 H new ATOM 1948 N LEU A 127 -0.356 -9.516 -6.782 1.00 0.00 N ATOM 1949 CA LEU A 127 0.386 -9.110 -5.593 1.00 0.00 C ATOM 1950 C LEU A 127 1.819 -9.628 -5.644 1.00 0.00 C ATOM 1951 O LEU A 127 2.671 -9.200 -4.867 1.00 0.00 O ATOM 1952 CB LEU A 127 -0.311 -9.624 -4.331 1.00 0.00 C ATOM 1953 CG LEU A 127 -1.433 -8.730 -3.802 1.00 0.00 C ATOM 1954 CD1 LEU A 127 -0.857 -7.520 -3.082 1.00 0.00 C ATOM 1955 CD2 LEU A 127 -2.345 -8.291 -4.938 1.00 0.00 C ATOM 0 H LEU A 127 -1.097 -10.195 -6.606 1.00 0.00 H new ATOM 0 HA LEU A 127 0.413 -8.021 -5.566 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -0.722 -10.612 -4.538 1.00 0.00 H new ATOM 0 HB3 LEU A 127 0.436 -9.747 -3.546 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.024 -9.305 -3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -1.670 -6.895 -2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -0.245 -7.853 -2.244 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -0.242 -6.944 -3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -3.138 -7.656 -4.543 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -1.766 -7.734 -5.675 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -2.785 -9.169 -5.411 1.00 0.00 H new ATOM 1967 N GLU A 128 2.076 -10.552 -6.564 1.00 0.00 N ATOM 1968 CA GLU A 128 3.406 -11.129 -6.715 1.00 0.00 C ATOM 1969 C GLU A 128 4.467 -10.037 -6.808 1.00 0.00 C ATOM 1970 O GLU A 128 4.598 -9.371 -7.836 1.00 0.00 O ATOM 1971 CB GLU A 128 3.463 -12.018 -7.960 1.00 0.00 C ATOM 1972 CG GLU A 128 2.279 -12.962 -8.089 1.00 0.00 C ATOM 1973 CD GLU A 128 2.635 -14.250 -8.805 1.00 0.00 C ATOM 1974 OE1 GLU A 128 3.354 -15.080 -8.211 1.00 0.00 O ATOM 1975 OE2 GLU A 128 2.194 -14.427 -9.960 1.00 0.00 O ATOM 0 H GLU A 128 1.381 -10.917 -7.216 1.00 0.00 H new ATOM 0 HA GLU A 128 3.611 -11.736 -5.834 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.510 -11.385 -8.846 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.382 -12.603 -7.937 1.00 0.00 H new ATOM 0 HG2 GLU A 128 1.896 -13.197 -7.096 1.00 0.00 H new ATOM 0 HG3 GLU A 128 1.476 -12.460 -8.629 1.00 0.00 H new ATOM 1982 N GLU A 129 5.221 -9.858 -5.728 1.00 0.00 N ATOM 1983 CA GLU A 129 6.268 -8.844 -5.688 1.00 0.00 C ATOM 1984 C GLU A 129 7.011 -8.776 -7.019 1.00 0.00 C ATOM 1985 O GLU A 129 7.442 -7.705 -7.448 1.00 0.00 O ATOM 1986 CB GLU A 129 7.254 -9.143 -4.557 1.00 0.00 C ATOM 1987 CG GLU A 129 8.402 -10.049 -4.973 1.00 0.00 C ATOM 1988 CD GLU A 129 8.997 -10.810 -3.805 1.00 0.00 C ATOM 1989 OE1 GLU A 129 9.711 -10.186 -2.992 1.00 0.00 O ATOM 1990 OE2 GLU A 129 8.748 -12.030 -3.703 1.00 0.00 O ATOM 0 H GLU A 129 5.126 -10.401 -4.870 1.00 0.00 H new ATOM 0 HA GLU A 129 5.796 -7.878 -5.505 1.00 0.00 H new ATOM 0 HB2 GLU A 129 7.661 -8.203 -4.183 1.00 0.00 H new ATOM 0 HB3 GLU A 129 6.716 -9.608 -3.731 1.00 0.00 H new ATOM 0 HG2 GLU A 129 8.048 -10.758 -5.721 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.180 -9.450 -5.445 1.00 0.00 H new ATOM 1997 N ASP A 130 7.156 -9.926 -7.668 1.00 0.00 N ATOM 1998 CA ASP A 130 7.845 -9.998 -8.952 1.00 0.00 C ATOM 1999 C ASP A 130 7.204 -9.058 -9.967 1.00 0.00 C ATOM 2000 O ASP A 130 7.895 -8.325 -10.675 1.00 0.00 O ATOM 2001 CB ASP A 130 7.829 -11.432 -9.485 1.00 0.00 C ATOM 2002 CG ASP A 130 8.276 -12.441 -8.445 1.00 0.00 C ATOM 2003 OD1 ASP A 130 7.559 -12.610 -7.437 1.00 0.00 O ATOM 2004 OD2 ASP A 130 9.344 -13.059 -8.639 1.00 0.00 O ATOM 0 H ASP A 130 6.806 -10.821 -7.326 1.00 0.00 H new ATOM 0 HA ASP A 130 8.878 -9.687 -8.799 1.00 0.00 H new ATOM 0 HB2 ASP A 130 6.822 -11.681 -9.819 1.00 0.00 H new ATOM 0 HB3 ASP A 130 8.480 -11.500 -10.356 1.00 0.00 H new ATOM 2009 N PHE A 131 5.876 -9.083 -10.033 1.00 0.00 N ATOM 2010 CA PHE A 131 5.141 -8.235 -10.963 1.00 0.00 C ATOM 2011 C PHE A 131 5.292 -6.763 -10.592 1.00 0.00 C ATOM 2012 O PHE A 131 5.407 -5.900 -11.464 1.00 0.00 O ATOM 2013 CB PHE A 131 3.660 -8.619 -10.975 1.00 0.00 C ATOM 2014 CG PHE A 131 2.798 -7.664 -11.752 1.00 0.00 C ATOM 2015 CD1 PHE A 131 3.093 -7.361 -13.071 1.00 0.00 C ATOM 2016 CD2 PHE A 131 1.695 -7.070 -11.162 1.00 0.00 C ATOM 2017 CE1 PHE A 131 2.303 -6.482 -13.787 1.00 0.00 C ATOM 2018 CE2 PHE A 131 0.900 -6.190 -11.873 1.00 0.00 C ATOM 2019 CZ PHE A 131 1.204 -5.897 -13.188 1.00 0.00 C ATOM 0 H PHE A 131 5.288 -9.682 -9.453 1.00 0.00 H new ATOM 0 HA PHE A 131 5.557 -8.386 -11.959 1.00 0.00 H new ATOM 0 HB2 PHE A 131 3.555 -9.618 -11.399 1.00 0.00 H new ATOM 0 HB3 PHE A 131 3.298 -8.669 -9.948 1.00 0.00 H new ATOM 0 HD1 PHE A 131 3.950 -7.817 -13.545 1.00 0.00 H new ATOM 0 HD2 PHE A 131 1.453 -7.297 -10.134 1.00 0.00 H new ATOM 0 HE1 PHE A 131 2.545 -6.252 -14.814 1.00 0.00 H new ATOM 0 HE2 PHE A 131 0.043 -5.733 -11.401 1.00 0.00 H new ATOM 0 HZ PHE A 131 0.584 -5.212 -13.747 1.00 0.00 H new ATOM 2029 N ILE A 132 5.291 -6.482 -9.294 1.00 0.00 N ATOM 2030 CA ILE A 132 5.429 -5.115 -8.807 1.00 0.00 C ATOM 2031 C ILE A 132 6.735 -4.490 -9.286 1.00 0.00 C ATOM 2032 O ILE A 132 6.751 -3.362 -9.778 1.00 0.00 O ATOM 2033 CB ILE A 132 5.378 -5.057 -7.269 1.00 0.00 C ATOM 2034 CG1 ILE A 132 4.130 -5.775 -6.750 1.00 0.00 C ATOM 2035 CG2 ILE A 132 5.401 -3.612 -6.792 1.00 0.00 C ATOM 2036 CD1 ILE A 132 2.839 -5.065 -7.092 1.00 0.00 C ATOM 0 H ILE A 132 5.196 -7.183 -8.560 1.00 0.00 H new ATOM 0 HA ILE A 132 4.589 -4.550 -9.211 1.00 0.00 H new ATOM 0 HB ILE A 132 6.257 -5.564 -6.872 1.00 0.00 H new ATOM 0 HG12 ILE A 132 4.102 -6.783 -7.164 1.00 0.00 H new ATOM 0 HG13 ILE A 132 4.203 -5.877 -5.667 1.00 0.00 H new ATOM 0 HG21 ILE A 132 5.364 -3.588 -5.703 1.00 0.00 H new ATOM 0 HG22 ILE A 132 6.316 -3.130 -7.135 1.00 0.00 H new ATOM 0 HG23 ILE A 132 4.539 -3.082 -7.196 1.00 0.00 H new ATOM 0 HD11 ILE A 132 1.996 -5.630 -6.693 1.00 0.00 H new ATOM 0 HD12 ILE A 132 2.846 -4.067 -6.655 1.00 0.00 H new ATOM 0 HD13 ILE A 132 2.743 -4.986 -8.175 1.00 0.00 H new ATOM 2048 N ARG A 133 7.828 -5.232 -9.139 1.00 0.00 N ATOM 2049 CA ARG A 133 9.139 -4.751 -9.557 1.00 0.00 C ATOM 2050 C ARG A 133 9.097 -4.236 -10.993 1.00 0.00 C ATOM 2051 O ARG A 133 9.394 -3.070 -11.255 1.00 0.00 O ATOM 2052 CB ARG A 133 10.178 -5.867 -9.433 1.00 0.00 C ATOM 2053 CG ARG A 133 10.860 -5.916 -8.076 1.00 0.00 C ATOM 2054 CD ARG A 133 10.038 -6.705 -7.069 1.00 0.00 C ATOM 2055 NE ARG A 133 10.821 -7.071 -5.891 1.00 0.00 N ATOM 2056 CZ ARG A 133 11.594 -8.149 -5.829 1.00 0.00 C ATOM 2057 NH1 ARG A 133 11.690 -8.962 -6.872 1.00 0.00 N ATOM 2058 NH2 ARG A 133 12.276 -8.415 -4.722 1.00 0.00 N ATOM 0 H ARG A 133 7.831 -6.168 -8.734 1.00 0.00 H new ATOM 0 HA ARG A 133 9.422 -3.927 -8.903 1.00 0.00 H new ATOM 0 HB2 ARG A 133 9.694 -6.825 -9.622 1.00 0.00 H new ATOM 0 HB3 ARG A 133 10.935 -5.735 -10.206 1.00 0.00 H new ATOM 0 HG2 ARG A 133 11.846 -6.370 -8.179 1.00 0.00 H new ATOM 0 HG3 ARG A 133 11.013 -4.902 -7.708 1.00 0.00 H new ATOM 0 HD2 ARG A 133 9.176 -6.113 -6.762 1.00 0.00 H new ATOM 0 HD3 ARG A 133 9.653 -7.608 -7.543 1.00 0.00 H new ATOM 0 HE ARG A 133 10.771 -6.466 -5.072 1.00 0.00 H new ATOM 0 HH11 ARG A 133 11.169 -8.760 -7.725 1.00 0.00 H new ATOM 0 HH12 ARG A 133 12.285 -9.789 -6.821 1.00 0.00 H new ATOM 0 HH21 ARG A 133 12.207 -7.791 -3.918 1.00 0.00 H new ATOM 0 HH22 ARG A 133 12.869 -9.243 -4.675 1.00 0.00 H new ATOM 2072 N SER A 134 8.727 -5.114 -11.920 1.00 0.00 N ATOM 2073 CA SER A 134 8.652 -4.751 -13.330 1.00 0.00 C ATOM 2074 C SER A 134 8.080 -3.347 -13.499 1.00 0.00 C ATOM 2075 O SER A 134 8.521 -2.585 -14.357 1.00 0.00 O ATOM 2076 CB SER A 134 7.790 -5.759 -14.092 1.00 0.00 C ATOM 2077 OG SER A 134 8.197 -5.858 -15.446 1.00 0.00 O ATOM 0 H SER A 134 8.475 -6.082 -11.720 1.00 0.00 H new ATOM 0 HA SER A 134 9.663 -4.765 -13.738 1.00 0.00 H new ATOM 0 HB2 SER A 134 7.861 -6.737 -13.615 1.00 0.00 H new ATOM 0 HB3 SER A 134 6.744 -5.457 -14.045 1.00 0.00 H new ATOM 0 HG SER A 134 7.632 -6.510 -15.911 1.00 0.00 H new ATOM 2083 N GLU A 135 7.094 -3.013 -12.672 1.00 0.00 N ATOM 2084 CA GLU A 135 6.461 -1.700 -12.729 1.00 0.00 C ATOM 2085 C GLU A 135 7.442 -0.604 -12.323 1.00 0.00 C ATOM 2086 O GLU A 135 7.749 0.293 -13.108 1.00 0.00 O ATOM 2087 CB GLU A 135 5.231 -1.662 -11.820 1.00 0.00 C ATOM 2088 CG GLU A 135 4.201 -2.731 -12.145 1.00 0.00 C ATOM 2089 CD GLU A 135 3.456 -2.450 -13.435 1.00 0.00 C ATOM 2090 OE1 GLU A 135 4.092 -1.961 -14.393 1.00 0.00 O ATOM 2091 OE2 GLU A 135 2.238 -2.720 -13.489 1.00 0.00 O ATOM 0 H GLU A 135 6.716 -3.633 -11.955 1.00 0.00 H new ATOM 0 HA GLU A 135 6.149 -1.520 -13.758 1.00 0.00 H new ATOM 0 HB2 GLU A 135 5.551 -1.780 -10.785 1.00 0.00 H new ATOM 0 HB3 GLU A 135 4.762 -0.681 -11.898 1.00 0.00 H new ATOM 0 HG2 GLU A 135 4.698 -3.698 -12.220 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.486 -2.803 -11.325 1.00 0.00 H new