USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 737 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 19 ASN : amide:sc= 0.193 X(o=0.19,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0577 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -127:sc= -0.389 USER MOD Single : A 41 GLN : amide:sc=-0.00715 X(o=-0.0072,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0422 USER MOD Single : A 52 GLN : amide:sc= 0.3 X(o=0.3,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -156:sc= -0.561 (180deg=-1.06) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0.00785 USER MOD Single : A 69 GLN : amide:sc= -0.0133 X(o=-0.013,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.0171 K(o=-0.017,f=-1.1) USER MOD Single : A 78 HIS : no HE2:sc= -0.0616 K(o=-0.062,f=-2.1) USER MOD Single : A 80 TYR OH : rot 146:sc= 0.0819 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 158:sc= 0.108 (180deg=0.0521) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot -17:sc= 0.00296 USER MOD Single : A 92 THR OG1 : rot 73:sc= 0.356 USER MOD ----------------------------------------------------------------- ATOM 117 N PHE A 8 -9.695 10.918 -5.017 1.00 0.00 N ATOM 118 CA PHE A 8 -8.913 10.927 -3.777 1.00 0.00 C ATOM 119 C PHE A 8 -7.654 10.063 -3.867 1.00 0.00 C ATOM 120 O PHE A 8 -6.766 10.165 -3.022 1.00 0.00 O ATOM 121 CB PHE A 8 -9.782 10.447 -2.609 1.00 0.00 C ATOM 122 CG PHE A 8 -10.868 11.414 -2.233 1.00 0.00 C ATOM 123 CD1 PHE A 8 -10.624 12.433 -1.326 1.00 0.00 C ATOM 124 CD2 PHE A 8 -12.131 11.304 -2.790 1.00 0.00 C ATOM 125 CE1 PHE A 8 -11.623 13.325 -0.984 1.00 0.00 C ATOM 126 CE2 PHE A 8 -13.131 12.194 -2.453 1.00 0.00 C ATOM 127 CZ PHE A 8 -12.877 13.206 -1.549 1.00 0.00 C ATOM 0 HA PHE A 8 -8.591 11.955 -3.611 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -10.233 9.490 -2.872 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.146 10.272 -1.741 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -9.644 12.531 -0.882 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -12.336 10.513 -3.496 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -11.423 14.115 -0.275 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -14.111 12.099 -2.896 1.00 0.00 H new ATOM 0 HZ PHE A 8 -13.658 13.903 -1.284 1.00 0.00 H new ATOM 137 N LEU A 9 -7.576 9.220 -4.892 1.00 0.00 N ATOM 138 CA LEU A 9 -6.430 8.322 -5.066 1.00 0.00 C ATOM 139 C LEU A 9 -5.172 9.017 -5.629 1.00 0.00 C ATOM 140 O LEU A 9 -4.071 8.758 -5.143 1.00 0.00 O ATOM 141 CB LEU A 9 -6.814 7.129 -5.950 1.00 0.00 C ATOM 142 CG LEU A 9 -7.505 5.972 -5.218 1.00 0.00 C ATOM 143 CD1 LEU A 9 -8.270 5.095 -6.196 1.00 0.00 C ATOM 144 CD2 LEU A 9 -6.492 5.139 -4.447 1.00 0.00 C ATOM 0 H LEU A 9 -8.290 9.137 -5.616 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.166 7.976 -4.067 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.473 7.482 -6.743 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.913 6.748 -6.430 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.214 6.400 -4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.752 4.281 -5.655 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.028 5.692 -6.704 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.580 4.683 -6.932 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.005 4.324 -3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.757 4.728 -5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.987 5.767 -3.713 1.00 0.00 H new ATOM 156 N PRO A 10 -5.284 9.888 -6.660 1.00 0.00 N ATOM 157 CA PRO A 10 -4.115 10.568 -7.241 1.00 0.00 C ATOM 158 C PRO A 10 -3.564 11.702 -6.371 1.00 0.00 C ATOM 159 O PRO A 10 -2.576 12.339 -6.735 1.00 0.00 O ATOM 160 CB PRO A 10 -4.639 11.136 -8.573 1.00 0.00 C ATOM 161 CG PRO A 10 -6.017 10.588 -8.742 1.00 0.00 C ATOM 162 CD PRO A 10 -6.514 10.267 -7.365 1.00 0.00 C ATOM 0 HA PRO A 10 -3.282 9.872 -7.346 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.652 12.226 -8.554 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.997 10.840 -9.403 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.667 11.314 -9.230 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.007 9.697 -9.369 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.000 11.124 -6.900 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.241 9.455 -7.376 1.00 0.00 H new ATOM 170 N GLU A 11 -4.191 11.948 -5.224 1.00 0.00 N ATOM 171 CA GLU A 11 -3.748 13.015 -4.329 1.00 0.00 C ATOM 172 C GLU A 11 -3.047 12.463 -3.084 1.00 0.00 C ATOM 173 O GLU A 11 -2.192 13.128 -2.502 1.00 0.00 O ATOM 174 CB GLU A 11 -4.942 13.880 -3.918 1.00 0.00 C ATOM 175 CG GLU A 11 -5.412 14.830 -5.011 1.00 0.00 C ATOM 176 CD GLU A 11 -6.518 15.753 -4.542 1.00 0.00 C ATOM 177 OE1 GLU A 11 -7.698 15.367 -4.653 1.00 0.00 O ATOM 178 OE2 GLU A 11 -6.205 16.863 -4.062 1.00 0.00 O ATOM 0 H GLU A 11 -5.003 11.427 -4.893 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.024 13.623 -4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.769 13.230 -3.633 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.673 14.460 -3.035 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.568 15.426 -5.357 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.764 14.251 -5.865 1.00 0.00 H new ATOM 185 N ILE A 12 -3.404 11.243 -2.689 1.00 0.00 N ATOM 186 CA ILE A 12 -2.815 10.616 -1.502 1.00 0.00 C ATOM 187 C ILE A 12 -1.408 10.074 -1.766 1.00 0.00 C ATOM 188 O ILE A 12 -0.583 10.018 -0.851 1.00 0.00 O ATOM 189 CB ILE A 12 -3.701 9.476 -0.942 1.00 0.00 C ATOM 190 CG1 ILE A 12 -4.193 8.560 -2.062 1.00 0.00 C ATOM 191 CG2 ILE A 12 -4.884 10.049 -0.177 1.00 0.00 C ATOM 192 CD1 ILE A 12 -3.422 7.265 -2.176 1.00 0.00 C ATOM 0 H ILE A 12 -4.096 10.668 -3.170 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.749 11.410 -0.758 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.092 8.883 -0.259 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.246 8.331 -1.895 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.129 9.094 -3.010 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.496 9.234 0.210 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.521 10.656 0.653 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.483 10.668 -0.844 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.830 6.669 -2.993 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.373 7.483 -2.375 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.507 6.708 -1.243 1.00 0.00 H new ATOM 204 N LEU A 13 -1.143 9.661 -3.010 1.00 0.00 N ATOM 205 CA LEU A 13 0.158 9.095 -3.381 1.00 0.00 C ATOM 206 C LEU A 13 1.321 10.056 -3.098 1.00 0.00 C ATOM 207 O LEU A 13 2.421 9.616 -2.784 1.00 0.00 O ATOM 208 CB LEU A 13 0.171 8.663 -4.861 1.00 0.00 C ATOM 209 CG LEU A 13 -0.315 9.702 -5.883 1.00 0.00 C ATOM 210 CD1 LEU A 13 0.830 10.593 -6.343 1.00 0.00 C ATOM 211 CD2 LEU A 13 -0.943 9.003 -7.080 1.00 0.00 C ATOM 0 H LEU A 13 -1.813 9.708 -3.778 1.00 0.00 H new ATOM 0 HA LEU A 13 0.303 8.216 -2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.189 8.377 -5.124 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.447 7.771 -4.961 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.064 10.330 -5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.458 11.319 -7.066 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.250 11.118 -5.485 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.603 9.981 -6.808 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.284 9.748 -7.799 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.204 8.355 -7.552 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.791 8.404 -6.748 1.00 0.00 H new ATOM 223 N ALA A 14 1.072 11.359 -3.197 1.00 0.00 N ATOM 224 CA ALA A 14 2.111 12.361 -2.961 1.00 0.00 C ATOM 225 C ALA A 14 2.564 12.373 -1.502 1.00 0.00 C ATOM 226 O ALA A 14 3.761 12.425 -1.214 1.00 0.00 O ATOM 227 CB ALA A 14 1.608 13.737 -3.374 1.00 0.00 C ATOM 0 H ALA A 14 0.160 11.747 -3.439 1.00 0.00 H new ATOM 0 HA ALA A 14 2.977 12.097 -3.569 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.387 14.478 -3.195 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.352 13.728 -4.433 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.724 13.992 -2.789 1.00 0.00 H new ATOM 233 N GLU A 15 1.600 12.322 -0.588 1.00 0.00 N ATOM 234 CA GLU A 15 1.887 12.341 0.846 1.00 0.00 C ATOM 235 C GLU A 15 2.437 11.005 1.361 1.00 0.00 C ATOM 236 O GLU A 15 2.932 10.936 2.488 1.00 0.00 O ATOM 237 CB GLU A 15 0.623 12.697 1.629 1.00 0.00 C ATOM 238 CG GLU A 15 0.209 14.155 1.510 1.00 0.00 C ATOM 239 CD GLU A 15 -1.072 14.451 2.264 1.00 0.00 C ATOM 240 OE1 GLU A 15 -2.159 14.283 1.674 1.00 0.00 O ATOM 241 OE2 GLU A 15 -0.990 14.838 3.449 1.00 0.00 O ATOM 0 H GLU A 15 0.607 12.267 -0.815 1.00 0.00 H new ATOM 0 HA GLU A 15 2.658 13.096 1.000 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.196 12.068 1.281 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.781 12.460 2.681 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.008 14.790 1.892 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.076 14.408 0.458 1.00 0.00 H new ATOM 248 N ILE A 16 2.360 9.948 0.553 1.00 0.00 N ATOM 249 CA ILE A 16 2.841 8.638 0.993 1.00 0.00 C ATOM 250 C ILE A 16 4.285 8.360 0.568 1.00 0.00 C ATOM 251 O ILE A 16 4.995 7.643 1.261 1.00 0.00 O ATOM 252 CB ILE A 16 1.923 7.483 0.511 1.00 0.00 C ATOM 253 CG1 ILE A 16 2.162 6.232 1.358 1.00 0.00 C ATOM 254 CG2 ILE A 16 2.150 7.167 -0.959 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.892 5.523 1.766 1.00 0.00 C ATOM 0 H ILE A 16 1.977 9.970 -0.392 1.00 0.00 H new ATOM 0 HA ILE A 16 2.813 8.675 2.082 1.00 0.00 H new ATOM 0 HB ILE A 16 0.889 7.808 0.629 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.790 5.539 0.798 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.716 6.511 2.254 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.491 6.354 -1.262 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.935 8.051 -1.559 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.187 6.869 -1.111 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.141 4.646 2.364 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.271 6.199 2.354 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.347 5.212 0.875 1.00 0.00 H new ATOM 267 N ILE A 17 4.732 8.931 -0.550 1.00 0.00 N ATOM 268 CA ILE A 17 6.100 8.694 -1.016 1.00 0.00 C ATOM 269 C ILE A 17 7.141 9.239 -0.030 1.00 0.00 C ATOM 270 O ILE A 17 8.219 8.664 0.126 1.00 0.00 O ATOM 271 CB ILE A 17 6.355 9.315 -2.409 1.00 0.00 C ATOM 272 CG1 ILE A 17 5.305 8.841 -3.412 1.00 0.00 C ATOM 273 CG2 ILE A 17 7.746 8.953 -2.909 1.00 0.00 C ATOM 274 CD1 ILE A 17 5.075 9.805 -4.557 1.00 0.00 C ATOM 0 H ILE A 17 4.179 9.551 -1.142 1.00 0.00 H new ATOM 0 HA ILE A 17 6.207 7.612 -1.087 1.00 0.00 H new ATOM 0 HB ILE A 17 6.285 10.398 -2.313 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.612 7.877 -3.817 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.362 8.681 -2.889 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.907 9.399 -3.891 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.493 9.331 -2.211 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.835 7.869 -2.984 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.317 9.400 -5.227 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.737 10.763 -4.163 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.006 9.947 -5.106 1.00 0.00 H new ATOM 286 N ALA A 18 6.800 10.324 0.657 1.00 0.00 N ATOM 287 CA ALA A 18 7.718 10.951 1.604 1.00 0.00 C ATOM 288 C ALA A 18 7.601 10.373 3.018 1.00 0.00 C ATOM 289 O ALA A 18 8.466 10.616 3.857 1.00 0.00 O ATOM 290 CB ALA A 18 7.473 12.452 1.634 1.00 0.00 C ATOM 0 H ALA A 18 5.895 10.788 0.577 1.00 0.00 H new ATOM 0 HA ALA A 18 8.731 10.740 1.260 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.159 12.919 2.341 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.638 12.868 0.640 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.446 12.647 1.942 1.00 0.00 H new ATOM 296 N ASN A 19 6.537 9.619 3.286 1.00 0.00 N ATOM 297 CA ASN A 19 6.332 9.046 4.620 1.00 0.00 C ATOM 298 C ASN A 19 6.273 7.520 4.596 1.00 0.00 C ATOM 299 O ASN A 19 5.709 6.904 5.500 1.00 0.00 O ATOM 300 CB ASN A 19 5.046 9.599 5.236 1.00 0.00 C ATOM 301 CG ASN A 19 5.180 11.052 5.649 1.00 0.00 C ATOM 302 OD1 ASN A 19 5.618 11.356 6.758 1.00 0.00 O ATOM 303 ND2 ASN A 19 4.803 11.958 4.755 1.00 0.00 N ATOM 0 H ASN A 19 5.810 9.391 2.608 1.00 0.00 H new ATOM 0 HA ASN A 19 7.191 9.333 5.227 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.232 9.502 4.518 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.777 9.000 6.106 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.871 12.951 4.976 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.445 11.661 3.847 1.00 0.00 H new ATOM 310 N LEU A 20 6.854 6.908 3.574 1.00 0.00 N ATOM 311 CA LEU A 20 6.833 5.451 3.465 1.00 0.00 C ATOM 312 C LEU A 20 8.229 4.863 3.296 1.00 0.00 C ATOM 313 O LEU A 20 9.118 5.482 2.713 1.00 0.00 O ATOM 314 CB LEU A 20 5.963 5.021 2.286 1.00 0.00 C ATOM 315 CG LEU A 20 5.579 3.544 2.269 1.00 0.00 C ATOM 316 CD1 LEU A 20 4.186 3.352 2.845 1.00 0.00 C ATOM 317 CD2 LEU A 20 5.657 2.993 0.852 1.00 0.00 C ATOM 0 H LEU A 20 7.340 7.387 2.816 1.00 0.00 H new ATOM 0 HA LEU A 20 6.417 5.070 4.398 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.051 5.617 2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.491 5.254 1.361 1.00 0.00 H new ATOM 0 HG LEU A 20 6.285 2.993 2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.927 2.293 2.826 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.165 3.712 3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.466 3.913 2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.380 1.939 0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.972 3.545 0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.674 3.100 0.476 1.00 0.00 H new ATOM 329 N ASP A 21 8.396 3.650 3.813 1.00 0.00 N ATOM 330 CA ASP A 21 9.657 2.926 3.718 1.00 0.00 C ATOM 331 C ASP A 21 9.399 1.525 3.168 1.00 0.00 C ATOM 332 O ASP A 21 9.113 0.601 3.925 1.00 0.00 O ATOM 333 CB ASP A 21 10.334 2.841 5.090 1.00 0.00 C ATOM 334 CG ASP A 21 11.006 4.143 5.483 1.00 0.00 C ATOM 335 OD1 ASP A 21 10.294 5.073 5.915 1.00 0.00 O ATOM 336 OD2 ASP A 21 12.245 4.230 5.363 1.00 0.00 O ATOM 0 H ASP A 21 7.663 3.143 4.308 1.00 0.00 H new ATOM 0 HA ASP A 21 10.324 3.462 3.042 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.592 2.576 5.843 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.075 2.042 5.078 1.00 0.00 H new ATOM 341 N PRO A 22 9.500 1.361 1.833 1.00 0.00 N ATOM 342 CA PRO A 22 9.250 0.078 1.145 1.00 0.00 C ATOM 343 C PRO A 22 10.131 -1.078 1.621 1.00 0.00 C ATOM 344 O PRO A 22 9.766 -2.237 1.469 1.00 0.00 O ATOM 345 CB PRO A 22 9.562 0.392 -0.324 1.00 0.00 C ATOM 346 CG PRO A 22 9.440 1.869 -0.444 1.00 0.00 C ATOM 347 CD PRO A 22 9.868 2.426 0.881 1.00 0.00 C ATOM 0 HA PRO A 22 8.233 -0.262 1.339 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.564 0.057 -0.594 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.866 -0.116 -0.991 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.069 2.249 -1.249 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.415 2.159 -0.677 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.938 2.633 0.903 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.357 3.362 1.108 1.00 0.00 H new ATOM 355 N THR A 23 11.283 -0.769 2.196 1.00 0.00 N ATOM 356 CA THR A 23 12.198 -1.803 2.666 1.00 0.00 C ATOM 357 C THR A 23 11.720 -2.452 3.964 1.00 0.00 C ATOM 358 O THR A 23 11.635 -3.675 4.060 1.00 0.00 O ATOM 359 CB THR A 23 13.606 -1.221 2.891 1.00 0.00 C ATOM 360 OG1 THR A 23 13.502 0.099 3.443 1.00 0.00 O ATOM 361 CG2 THR A 23 14.382 -1.167 1.584 1.00 0.00 C ATOM 0 H THR A 23 11.608 0.186 2.349 1.00 0.00 H new ATOM 0 HA THR A 23 12.228 -2.567 1.889 1.00 0.00 H new ATOM 0 HB THR A 23 14.140 -1.868 3.587 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.400 0.465 3.586 1.00 0.00 H new ATOM 0 HG21 THR A 23 15.374 -0.753 1.766 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.479 -2.173 1.176 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.851 -0.536 0.871 1.00 0.00 H new ATOM 369 N LYS A 24 11.389 -1.622 4.944 1.00 0.00 N ATOM 370 CA LYS A 24 10.957 -2.098 6.255 1.00 0.00 C ATOM 371 C LYS A 24 9.618 -2.842 6.224 1.00 0.00 C ATOM 372 O LYS A 24 9.409 -3.767 7.008 1.00 0.00 O ATOM 373 CB LYS A 24 10.865 -0.927 7.232 1.00 0.00 C ATOM 374 CG LYS A 24 11.145 -1.317 8.672 1.00 0.00 C ATOM 375 CD LYS A 24 11.029 -0.129 9.611 1.00 0.00 C ATOM 376 CE LYS A 24 11.202 -0.552 11.059 1.00 0.00 C ATOM 377 NZ LYS A 24 11.126 0.602 11.995 1.00 0.00 N ATOM 0 H LYS A 24 11.411 -0.606 4.856 1.00 0.00 H new ATOM 0 HA LYS A 24 11.710 -2.814 6.584 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.572 -0.155 6.929 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.869 -0.489 7.170 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.446 -2.094 8.981 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.146 -1.742 8.745 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.783 0.615 9.355 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.056 0.346 9.482 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.432 -1.279 11.318 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.164 -1.051 11.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.249 0.266 12.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.877 1.284 11.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.199 1.064 11.902 1.00 0.00 H new ATOM 391 N ILE A 25 8.716 -2.454 5.328 1.00 0.00 N ATOM 392 CA ILE A 25 7.403 -3.098 5.270 1.00 0.00 C ATOM 393 C ILE A 25 7.379 -4.341 4.375 1.00 0.00 C ATOM 394 O ILE A 25 6.674 -5.303 4.676 1.00 0.00 O ATOM 395 CB ILE A 25 6.303 -2.120 4.796 1.00 0.00 C ATOM 396 CG1 ILE A 25 6.733 -1.391 3.525 1.00 0.00 C ATOM 397 CG2 ILE A 25 5.968 -1.121 5.893 1.00 0.00 C ATOM 398 CD1 ILE A 25 5.583 -1.083 2.594 1.00 0.00 C ATOM 0 H ILE A 25 8.862 -1.712 4.644 1.00 0.00 H new ATOM 0 HA ILE A 25 7.198 -3.412 6.294 1.00 0.00 H new ATOM 0 HB ILE A 25 5.409 -2.701 4.570 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.229 -0.460 3.799 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.467 -1.999 2.996 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.192 -0.441 5.541 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.611 -1.654 6.774 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.861 -0.551 6.151 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.958 -0.565 1.711 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.101 -2.013 2.292 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.860 -0.449 3.107 1.00 0.00 H new ATOM 410 N LEU A 26 8.157 -4.331 3.295 1.00 0.00 N ATOM 411 CA LEU A 26 8.175 -5.458 2.359 1.00 0.00 C ATOM 412 C LEU A 26 8.878 -6.684 2.940 1.00 0.00 C ATOM 413 O LEU A 26 8.512 -7.817 2.626 1.00 0.00 O ATOM 414 CB LEU A 26 8.845 -5.047 1.048 1.00 0.00 C ATOM 415 CG LEU A 26 7.888 -4.786 -0.120 1.00 0.00 C ATOM 416 CD1 LEU A 26 7.171 -3.457 0.057 1.00 0.00 C ATOM 417 CD2 LEU A 26 8.645 -4.807 -1.437 1.00 0.00 C ATOM 0 H LEU A 26 8.780 -3.563 3.045 1.00 0.00 H new ATOM 0 HA LEU A 26 7.138 -5.734 2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.431 -4.145 1.225 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.545 -5.830 0.755 1.00 0.00 H new ATOM 0 HG LEU A 26 7.140 -5.579 -0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.497 -3.292 -0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.598 -3.473 0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.904 -2.651 0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.952 -4.620 -2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.413 -4.034 -1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.113 -5.782 -1.572 1.00 0.00 H new ATOM 429 N GLU A 27 9.876 -6.454 3.789 1.00 0.00 N ATOM 430 CA GLU A 27 10.638 -7.543 4.401 1.00 0.00 C ATOM 431 C GLU A 27 9.780 -8.388 5.346 1.00 0.00 C ATOM 432 O GLU A 27 9.948 -9.606 5.423 1.00 0.00 O ATOM 433 CB GLU A 27 11.842 -6.978 5.163 1.00 0.00 C ATOM 434 CG GLU A 27 13.011 -6.598 4.268 1.00 0.00 C ATOM 435 CD GLU A 27 14.200 -6.079 5.053 1.00 0.00 C ATOM 436 OE1 GLU A 27 14.252 -4.859 5.317 1.00 0.00 O ATOM 437 OE2 GLU A 27 15.079 -6.894 5.406 1.00 0.00 O ATOM 0 H GLU A 27 10.178 -5.521 4.071 1.00 0.00 H new ATOM 0 HA GLU A 27 10.980 -8.192 3.595 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.525 -6.099 5.724 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.179 -7.716 5.891 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.316 -7.468 3.686 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.688 -5.836 3.558 1.00 0.00 H new ATOM 444 N GLU A 28 8.860 -7.737 6.055 1.00 0.00 N ATOM 445 CA GLU A 28 7.988 -8.425 7.008 1.00 0.00 C ATOM 446 C GLU A 28 6.880 -9.215 6.309 1.00 0.00 C ATOM 447 O GLU A 28 6.401 -10.221 6.835 1.00 0.00 O ATOM 448 CB GLU A 28 7.374 -7.417 7.983 1.00 0.00 C ATOM 449 CG GLU A 28 8.376 -6.854 8.979 1.00 0.00 C ATOM 450 CD GLU A 28 8.605 -7.774 10.162 1.00 0.00 C ATOM 451 OE1 GLU A 28 9.491 -8.651 10.072 1.00 0.00 O ATOM 452 OE2 GLU A 28 7.902 -7.614 11.181 1.00 0.00 O ATOM 0 H GLU A 28 8.698 -6.732 5.988 1.00 0.00 H new ATOM 0 HA GLU A 28 8.604 -9.137 7.556 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.935 -6.596 7.417 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.562 -7.898 8.528 1.00 0.00 H new ATOM 0 HG2 GLU A 28 9.325 -6.677 8.473 1.00 0.00 H new ATOM 0 HG3 GLU A 28 8.021 -5.888 9.338 1.00 0.00 H new ATOM 459 N LEU A 29 6.479 -8.763 5.123 1.00 0.00 N ATOM 460 CA LEU A 29 5.417 -9.426 4.368 1.00 0.00 C ATOM 461 C LEU A 29 5.932 -10.664 3.635 1.00 0.00 C ATOM 462 O LEU A 29 5.188 -11.624 3.427 1.00 0.00 O ATOM 463 CB LEU A 29 4.800 -8.449 3.364 1.00 0.00 C ATOM 464 CG LEU A 29 4.020 -7.290 3.985 1.00 0.00 C ATOM 465 CD1 LEU A 29 3.943 -6.118 3.020 1.00 0.00 C ATOM 466 CD2 LEU A 29 2.624 -7.741 4.388 1.00 0.00 C ATOM 0 H LEU A 29 6.872 -7.941 4.664 1.00 0.00 H new ATOM 0 HA LEU A 29 4.658 -9.750 5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.596 -8.039 2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.133 -9.003 2.704 1.00 0.00 H new ATOM 0 HG LEU A 29 4.548 -6.963 4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.384 -5.304 3.481 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.950 -5.777 2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.439 -6.432 2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.084 -6.903 4.828 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.088 -8.096 3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.699 -8.548 5.117 1.00 0.00 H new ATOM 478 N LEU A 30 7.207 -10.638 3.255 1.00 0.00 N ATOM 479 CA LEU A 30 7.821 -11.751 2.533 1.00 0.00 C ATOM 480 C LEU A 30 8.061 -12.954 3.443 1.00 0.00 C ATOM 481 O LEU A 30 8.020 -14.099 2.992 1.00 0.00 O ATOM 482 CB LEU A 30 9.143 -11.307 1.910 1.00 0.00 C ATOM 483 CG LEU A 30 9.015 -10.560 0.582 1.00 0.00 C ATOM 484 CD1 LEU A 30 10.177 -9.599 0.398 1.00 0.00 C ATOM 485 CD2 LEU A 30 8.944 -11.543 -0.575 1.00 0.00 C ATOM 0 H LEU A 30 7.837 -9.856 3.435 1.00 0.00 H new ATOM 0 HA LEU A 30 7.128 -12.055 1.749 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.665 -10.666 2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.768 -12.187 1.756 1.00 0.00 H new ATOM 0 HG LEU A 30 8.092 -9.981 0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.070 -9.076 -0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.182 -8.875 1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.114 -10.156 0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.853 -10.995 -1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.850 -12.148 -0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.077 -12.192 -0.448 1.00 0.00 H new ATOM 497 N ARG A 31 8.312 -12.685 4.722 1.00 0.00 N ATOM 498 CA ARG A 31 8.579 -13.741 5.696 1.00 0.00 C ATOM 499 C ARG A 31 7.321 -14.540 6.031 1.00 0.00 C ATOM 500 O ARG A 31 7.407 -15.697 6.439 1.00 0.00 O ATOM 501 CB ARG A 31 9.165 -13.138 6.971 1.00 0.00 C ATOM 502 CG ARG A 31 10.615 -12.715 6.824 1.00 0.00 C ATOM 503 CD ARG A 31 11.166 -12.157 8.124 1.00 0.00 C ATOM 504 NE ARG A 31 12.550 -11.717 7.984 1.00 0.00 N ATOM 505 CZ ARG A 31 13.287 -11.266 8.993 1.00 0.00 C ATOM 506 NH1 ARG A 31 12.774 -11.194 10.216 1.00 0.00 N ATOM 507 NH2 ARG A 31 14.539 -10.885 8.782 1.00 0.00 N ATOM 0 H ARG A 31 8.336 -11.742 5.109 1.00 0.00 H new ATOM 0 HA ARG A 31 9.298 -14.427 5.249 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.569 -12.273 7.263 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.086 -13.866 7.778 1.00 0.00 H new ATOM 0 HG2 ARG A 31 11.214 -13.570 6.511 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.698 -11.963 6.040 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.550 -11.319 8.449 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.104 -12.919 8.901 1.00 0.00 H new ATOM 0 HE ARG A 31 12.976 -11.758 7.058 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.811 -11.486 10.383 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.343 -10.847 10.988 1.00 0.00 H new ATOM 0 HH21 ARG A 31 14.937 -10.938 7.844 1.00 0.00 H new ATOM 0 HH22 ARG A 31 15.104 -10.539 9.557 1.00 0.00 H new ATOM 521 N ARG A 32 6.158 -13.920 5.859 1.00 0.00 N ATOM 522 CA ARG A 32 4.892 -14.584 6.150 1.00 0.00 C ATOM 523 C ARG A 32 4.359 -15.323 4.924 1.00 0.00 C ATOM 524 O ARG A 32 3.431 -16.125 5.030 1.00 0.00 O ATOM 525 CB ARG A 32 3.865 -13.564 6.646 1.00 0.00 C ATOM 526 CG ARG A 32 4.240 -12.939 7.980 1.00 0.00 C ATOM 527 CD ARG A 32 3.043 -12.282 8.653 1.00 0.00 C ATOM 528 NE ARG A 32 2.121 -13.265 9.221 1.00 0.00 N ATOM 529 CZ ARG A 32 1.002 -12.943 9.866 1.00 0.00 C ATOM 530 NH1 ARG A 32 0.664 -11.669 10.026 1.00 0.00 N ATOM 531 NH2 ARG A 32 0.219 -13.897 10.353 1.00 0.00 N ATOM 0 H ARG A 32 6.066 -12.962 5.521 1.00 0.00 H new ATOM 0 HA ARG A 32 5.068 -15.321 6.933 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.755 -12.776 5.901 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.894 -14.051 6.740 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.651 -13.705 8.637 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.023 -12.197 7.826 1.00 0.00 H new ATOM 0 HD2 ARG A 32 3.392 -11.616 9.442 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.513 -11.666 7.927 1.00 0.00 H new ATOM 0 HE ARG A 32 2.348 -14.254 9.117 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.263 -10.932 9.654 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.195 -11.427 10.521 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.475 -14.877 10.233 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.638 -13.650 10.847 1.00 0.00 H new ATOM 545 N GLY A 33 4.957 -15.052 3.765 1.00 0.00 N ATOM 546 CA GLY A 33 4.536 -15.699 2.535 1.00 0.00 C ATOM 547 C GLY A 33 3.334 -15.026 1.900 1.00 0.00 C ATOM 548 O GLY A 33 2.543 -15.675 1.216 1.00 0.00 O ATOM 0 H GLY A 33 5.728 -14.393 3.657 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.364 -15.697 1.827 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.296 -16.742 2.742 1.00 0.00 H new ATOM 552 N LEU A 34 3.198 -13.723 2.127 1.00 0.00 N ATOM 553 CA LEU A 34 2.083 -12.958 1.575 1.00 0.00 C ATOM 554 C LEU A 34 2.468 -12.276 0.264 1.00 0.00 C ATOM 555 O LEU A 34 1.603 -11.838 -0.493 1.00 0.00 O ATOM 556 CB LEU A 34 1.620 -11.903 2.587 1.00 0.00 C ATOM 557 CG LEU A 34 0.233 -11.306 2.329 1.00 0.00 C ATOM 558 CD1 LEU A 34 -0.488 -11.041 3.642 1.00 0.00 C ATOM 559 CD2 LEU A 34 0.350 -10.024 1.519 1.00 0.00 C ATOM 0 H LEU A 34 3.847 -13.173 2.690 1.00 0.00 H new ATOM 0 HA LEU A 34 1.270 -13.654 1.371 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.624 -12.351 3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.349 -11.092 2.600 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.351 -12.026 1.756 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.471 -10.617 3.438 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.603 -11.977 4.189 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.093 -10.339 4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.644 -9.612 1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.951 -9.300 2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.827 -10.240 0.563 1.00 0.00 H new ATOM 571 N LEU A 35 3.759 -12.225 -0.029 1.00 0.00 N ATOM 572 CA LEU A 35 4.221 -11.559 -1.235 1.00 0.00 C ATOM 573 C LEU A 35 4.747 -12.563 -2.259 1.00 0.00 C ATOM 574 O LEU A 35 5.448 -13.514 -1.905 1.00 0.00 O ATOM 575 CB LEU A 35 5.321 -10.553 -0.881 1.00 0.00 C ATOM 576 CG LEU A 35 5.263 -9.227 -1.642 1.00 0.00 C ATOM 577 CD1 LEU A 35 5.966 -8.128 -0.857 1.00 0.00 C ATOM 578 CD2 LEU A 35 5.886 -9.382 -3.019 1.00 0.00 C ATOM 0 H LEU A 35 4.497 -12.632 0.545 1.00 0.00 H new ATOM 0 HA LEU A 35 3.374 -11.037 -1.680 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.268 -10.343 0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.289 -11.018 -1.067 1.00 0.00 H new ATOM 0 HG LEU A 35 4.218 -8.943 -1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.914 -7.193 -1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.478 -8.002 0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.010 -8.401 -0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.838 -8.431 -3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.927 -9.687 -2.915 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.340 -10.139 -3.582 1.00 0.00 H new ATOM 590 N THR A 36 4.405 -12.347 -3.531 1.00 0.00 N ATOM 591 CA THR A 36 4.844 -13.235 -4.602 1.00 0.00 C ATOM 592 C THR A 36 6.119 -12.710 -5.268 1.00 0.00 C ATOM 593 O THR A 36 6.357 -11.506 -5.301 1.00 0.00 O ATOM 594 CB THR A 36 3.749 -13.412 -5.676 1.00 0.00 C ATOM 595 OG1 THR A 36 3.277 -12.135 -6.109 1.00 0.00 O ATOM 596 CG2 THR A 36 2.588 -14.229 -5.132 1.00 0.00 C ATOM 0 H THR A 36 3.827 -11.566 -3.841 1.00 0.00 H new ATOM 0 HA THR A 36 5.049 -14.202 -4.144 1.00 0.00 H new ATOM 0 HB THR A 36 4.183 -13.944 -6.523 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.301 -12.102 -6.027 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.828 -14.341 -5.905 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.946 -15.213 -4.829 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.156 -13.719 -4.271 1.00 0.00 H new ATOM 604 N PRO A 37 6.955 -13.613 -5.808 1.00 0.00 N ATOM 605 CA PRO A 37 8.213 -13.245 -6.475 1.00 0.00 C ATOM 606 C PRO A 37 8.002 -12.475 -7.784 1.00 0.00 C ATOM 607 O PRO A 37 8.814 -11.623 -8.145 1.00 0.00 O ATOM 608 CB PRO A 37 8.889 -14.596 -6.761 1.00 0.00 C ATOM 609 CG PRO A 37 8.130 -15.606 -5.964 1.00 0.00 C ATOM 610 CD PRO A 37 6.744 -15.063 -5.806 1.00 0.00 C ATOM 0 HA PRO A 37 8.804 -12.576 -5.849 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.857 -14.832 -7.825 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.939 -14.577 -6.470 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.114 -16.570 -6.473 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.598 -15.766 -4.993 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.092 -15.377 -6.621 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.281 -15.402 -4.879 1.00 0.00 H new ATOM 618 N ALA A 38 6.910 -12.780 -8.487 1.00 0.00 N ATOM 619 CA ALA A 38 6.597 -12.121 -9.756 1.00 0.00 C ATOM 620 C ALA A 38 6.193 -10.665 -9.540 1.00 0.00 C ATOM 621 O ALA A 38 6.583 -9.782 -10.303 1.00 0.00 O ATOM 622 CB ALA A 38 5.486 -12.875 -10.470 1.00 0.00 C ATOM 0 H ALA A 38 6.227 -13.480 -8.198 1.00 0.00 H new ATOM 0 HA ALA A 38 7.494 -12.130 -10.375 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.258 -12.379 -11.414 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.808 -13.898 -10.666 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.595 -12.889 -9.843 1.00 0.00 H new ATOM 628 N GLU A 39 5.409 -10.428 -8.493 1.00 0.00 N ATOM 629 CA GLU A 39 4.952 -9.086 -8.158 1.00 0.00 C ATOM 630 C GLU A 39 6.090 -8.280 -7.539 1.00 0.00 C ATOM 631 O GLU A 39 6.187 -7.062 -7.729 1.00 0.00 O ATOM 632 CB GLU A 39 3.764 -9.167 -7.200 1.00 0.00 C ATOM 633 CG GLU A 39 2.449 -9.498 -7.891 1.00 0.00 C ATOM 634 CD GLU A 39 1.265 -9.429 -6.948 1.00 0.00 C ATOM 635 OE1 GLU A 39 0.786 -8.307 -6.675 1.00 0.00 O ATOM 636 OE2 GLU A 39 0.817 -10.497 -6.481 1.00 0.00 O ATOM 0 H GLU A 39 5.076 -11.154 -7.859 1.00 0.00 H new ATOM 0 HA GLU A 39 4.632 -8.580 -9.069 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.968 -9.924 -6.443 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.662 -8.215 -6.679 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.292 -8.805 -8.718 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.510 -10.498 -8.321 1.00 0.00 H new ATOM 643 N LEU A 40 6.953 -8.976 -6.801 1.00 0.00 N ATOM 644 CA LEU A 40 8.096 -8.346 -6.154 1.00 0.00 C ATOM 645 C LEU A 40 9.089 -7.830 -7.180 1.00 0.00 C ATOM 646 O LEU A 40 9.521 -6.685 -7.106 1.00 0.00 O ATOM 647 CB LEU A 40 8.805 -9.331 -5.231 1.00 0.00 C ATOM 648 CG LEU A 40 9.881 -8.707 -4.338 1.00 0.00 C ATOM 649 CD1 LEU A 40 9.249 -8.032 -3.133 1.00 0.00 C ATOM 650 CD2 LEU A 40 10.891 -9.755 -3.892 1.00 0.00 C ATOM 0 H LEU A 40 6.879 -9.980 -6.638 1.00 0.00 H new ATOM 0 HA LEU A 40 7.716 -7.508 -5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.061 -9.815 -4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.263 -10.112 -5.838 1.00 0.00 H new ATOM 0 HG LEU A 40 10.409 -7.952 -4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.029 -7.594 -2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.571 -7.248 -3.469 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.693 -8.769 -2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.645 -9.287 -3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.380 -10.537 -3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.372 -10.192 -4.767 1.00 0.00 H new ATOM 662 N GLN A 41 9.440 -8.687 -8.138 1.00 0.00 N ATOM 663 CA GLN A 41 10.384 -8.340 -9.182 1.00 0.00 C ATOM 664 C GLN A 41 9.913 -7.150 -10.005 1.00 0.00 C ATOM 665 O GLN A 41 10.721 -6.472 -10.632 1.00 0.00 O ATOM 666 CB GLN A 41 10.594 -9.542 -10.094 1.00 0.00 C ATOM 667 CG GLN A 41 12.022 -9.690 -10.565 1.00 0.00 C ATOM 668 CD GLN A 41 12.939 -10.259 -9.495 1.00 0.00 C ATOM 669 OE1 GLN A 41 13.002 -11.472 -9.303 1.00 0.00 O ATOM 670 NE2 GLN A 41 13.658 -9.389 -8.786 1.00 0.00 N ATOM 0 H GLN A 41 9.075 -9.637 -8.206 1.00 0.00 H new ATOM 0 HA GLN A 41 11.322 -8.059 -8.704 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.297 -10.448 -9.565 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.940 -9.451 -10.961 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.046 -10.339 -11.440 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.399 -8.717 -10.880 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.579 -8.390 -8.974 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.287 -9.723 -8.056 1.00 0.00 H new ATOM 679 N GLU A 42 8.609 -6.901 -10.001 1.00 0.00 N ATOM 680 CA GLU A 42 8.055 -5.791 -10.765 1.00 0.00 C ATOM 681 C GLU A 42 8.328 -4.451 -10.088 1.00 0.00 C ATOM 682 O GLU A 42 8.963 -3.569 -10.672 1.00 0.00 O ATOM 683 CB GLU A 42 6.548 -5.977 -10.956 1.00 0.00 C ATOM 684 CG GLU A 42 6.043 -5.480 -12.299 1.00 0.00 C ATOM 685 CD GLU A 42 6.272 -6.479 -13.416 1.00 0.00 C ATOM 686 OE1 GLU A 42 7.352 -6.434 -14.041 1.00 0.00 O ATOM 687 OE2 GLU A 42 5.371 -7.306 -13.666 1.00 0.00 O ATOM 0 H GLU A 42 7.921 -7.447 -9.482 1.00 0.00 H new ATOM 0 HA GLU A 42 8.546 -5.785 -11.738 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.304 -7.034 -10.854 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.021 -5.450 -10.161 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.977 -5.263 -12.224 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.543 -4.543 -12.547 1.00 0.00 H new ATOM 694 N VAL A 43 7.891 -4.319 -8.837 1.00 0.00 N ATOM 695 CA VAL A 43 8.069 -3.074 -8.098 1.00 0.00 C ATOM 696 C VAL A 43 9.522 -2.877 -7.658 1.00 0.00 C ATOM 697 O VAL A 43 9.986 -1.749 -7.521 1.00 0.00 O ATOM 698 CB VAL A 43 7.121 -2.999 -6.876 1.00 0.00 C ATOM 699 CG1 VAL A 43 7.355 -4.157 -5.923 1.00 0.00 C ATOM 700 CG2 VAL A 43 7.268 -1.667 -6.152 1.00 0.00 C ATOM 0 H VAL A 43 7.414 -5.056 -8.317 1.00 0.00 H new ATOM 0 HA VAL A 43 7.812 -2.264 -8.781 1.00 0.00 H new ATOM 0 HB VAL A 43 6.099 -3.074 -7.248 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.674 -4.075 -5.076 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.176 -5.098 -6.443 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.384 -4.131 -5.565 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.591 -1.640 -5.298 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.295 -1.553 -5.805 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.023 -0.853 -6.834 1.00 0.00 H new ATOM 710 N LEU A 44 10.248 -3.968 -7.466 1.00 0.00 N ATOM 711 CA LEU A 44 11.640 -3.880 -7.043 1.00 0.00 C ATOM 712 C LEU A 44 12.553 -3.536 -8.217 1.00 0.00 C ATOM 713 O LEU A 44 13.686 -3.095 -8.021 1.00 0.00 O ATOM 714 CB LEU A 44 12.079 -5.185 -6.391 1.00 0.00 C ATOM 715 CG LEU A 44 13.391 -5.114 -5.612 1.00 0.00 C ATOM 716 CD1 LEU A 44 13.135 -4.655 -4.185 1.00 0.00 C ATOM 717 CD2 LEU A 44 14.090 -6.463 -5.624 1.00 0.00 C ATOM 0 H LEU A 44 9.901 -4.919 -7.595 1.00 0.00 H new ATOM 0 HA LEU A 44 11.720 -3.077 -6.310 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.291 -5.518 -5.715 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.176 -5.945 -7.166 1.00 0.00 H new ATOM 0 HG LEU A 44 14.043 -4.387 -6.096 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.079 -4.609 -3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 44 12.676 -3.667 -4.198 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.466 -5.360 -3.691 1.00 0.00 H new ATOM 0 HD21 LEU A 44 15.023 -6.394 -5.065 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.445 -7.211 -5.163 1.00 0.00 H new ATOM 0 HD23 LEU A 44 14.304 -6.753 -6.653 1.00 0.00 H new ATOM 729 N ASP A 45 12.052 -3.731 -9.434 1.00 0.00 N ATOM 730 CA ASP A 45 12.824 -3.426 -10.628 1.00 0.00 C ATOM 731 C ASP A 45 12.750 -1.942 -10.949 1.00 0.00 C ATOM 732 O ASP A 45 13.760 -1.326 -11.292 1.00 0.00 O ATOM 733 CB ASP A 45 12.324 -4.240 -11.821 1.00 0.00 C ATOM 734 CG ASP A 45 13.417 -4.501 -12.838 1.00 0.00 C ATOM 735 OD1 ASP A 45 14.154 -5.496 -12.674 1.00 0.00 O ATOM 736 OD2 ASP A 45 13.536 -3.712 -13.800 1.00 0.00 O ATOM 0 H ASP A 45 11.118 -4.098 -9.616 1.00 0.00 H new ATOM 0 HA ASP A 45 13.862 -3.694 -10.433 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.925 -5.191 -11.468 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.503 -3.709 -12.302 1.00 0.00 H new ATOM 741 N LEU A 46 11.556 -1.363 -10.826 1.00 0.00 N ATOM 742 CA LEU A 46 11.386 0.059 -11.113 1.00 0.00 C ATOM 743 C LEU A 46 12.054 0.912 -10.043 1.00 0.00 C ATOM 744 O LEU A 46 11.951 0.633 -8.848 1.00 0.00 O ATOM 745 CB LEU A 46 9.906 0.453 -11.236 1.00 0.00 C ATOM 746 CG LEU A 46 8.929 -0.292 -10.324 1.00 0.00 C ATOM 747 CD1 LEU A 46 8.560 0.567 -9.129 1.00 0.00 C ATOM 748 CD2 LEU A 46 7.679 -0.688 -11.092 1.00 0.00 C ATOM 0 H LEU A 46 10.707 -1.847 -10.535 1.00 0.00 H new ATOM 0 HA LEU A 46 11.865 0.243 -12.075 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.818 1.520 -11.033 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.595 0.298 -12.269 1.00 0.00 H new ATOM 0 HG LEU A 46 9.417 -1.198 -9.965 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.864 0.022 -8.490 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.460 0.808 -8.563 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.090 1.488 -9.474 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.996 -1.217 -10.427 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.190 0.207 -11.478 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.953 -1.338 -11.923 1.00 0.00 H new ATOM 760 N LYS A 47 12.747 1.950 -10.486 1.00 0.00 N ATOM 761 CA LYS A 47 13.422 2.859 -9.578 1.00 0.00 C ATOM 762 C LYS A 47 12.651 4.166 -9.493 1.00 0.00 C ATOM 763 O LYS A 47 13.139 5.157 -8.955 1.00 0.00 O ATOM 764 CB LYS A 47 14.849 3.126 -10.052 1.00 0.00 C ATOM 765 CG LYS A 47 15.807 1.983 -9.771 1.00 0.00 C ATOM 766 CD LYS A 47 17.213 2.318 -10.237 1.00 0.00 C ATOM 767 CE LYS A 47 18.178 1.171 -9.987 1.00 0.00 C ATOM 768 NZ LYS A 47 19.553 1.496 -10.455 1.00 0.00 N ATOM 0 H LYS A 47 12.856 2.183 -11.473 1.00 0.00 H new ATOM 0 HA LYS A 47 13.465 2.400 -8.590 1.00 0.00 H new ATOM 0 HB2 LYS A 47 14.836 3.323 -11.124 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.221 4.028 -9.567 1.00 0.00 H new ATOM 0 HG2 LYS A 47 15.817 1.768 -8.703 1.00 0.00 H new ATOM 0 HG3 LYS A 47 15.459 1.081 -10.275 1.00 0.00 H new ATOM 0 HD2 LYS A 47 17.197 2.554 -11.301 1.00 0.00 H new ATOM 0 HD3 LYS A 47 17.565 3.209 -9.718 1.00 0.00 H new ATOM 0 HE2 LYS A 47 18.201 0.941 -8.922 1.00 0.00 H new ATOM 0 HE3 LYS A 47 17.821 0.277 -10.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 20.183 0.690 -10.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 19.535 1.691 -11.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 19.903 2.334 -9.948 1.00 0.00 H new ATOM 782 N THR A 48 11.442 4.154 -10.040 1.00 0.00 N ATOM 783 CA THR A 48 10.584 5.328 -10.047 1.00 0.00 C ATOM 784 C THR A 48 9.765 5.408 -8.759 1.00 0.00 C ATOM 785 O THR A 48 8.897 4.574 -8.520 1.00 0.00 O ATOM 786 CB THR A 48 9.642 5.301 -11.266 1.00 0.00 C ATOM 787 OG1 THR A 48 9.291 3.946 -11.575 1.00 0.00 O ATOM 788 CG2 THR A 48 10.316 5.940 -12.474 1.00 0.00 C ATOM 0 H THR A 48 11.032 3.335 -10.488 1.00 0.00 H new ATOM 0 HA THR A 48 11.220 6.211 -10.111 1.00 0.00 H new ATOM 0 HB THR A 48 8.742 5.867 -11.024 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.691 3.932 -12.349 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.637 5.913 -13.326 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.569 6.975 -12.244 1.00 0.00 H new ATOM 0 HG23 THR A 48 11.225 5.390 -12.717 1.00 0.00 H new ATOM 796 N PRO A 49 10.042 6.423 -7.916 1.00 0.00 N ATOM 797 CA PRO A 49 9.349 6.623 -6.629 1.00 0.00 C ATOM 798 C PRO A 49 7.832 6.742 -6.776 1.00 0.00 C ATOM 799 O PRO A 49 7.079 6.266 -5.923 1.00 0.00 O ATOM 800 CB PRO A 49 9.938 7.939 -6.109 1.00 0.00 C ATOM 801 CG PRO A 49 11.248 8.072 -6.803 1.00 0.00 C ATOM 802 CD PRO A 49 11.057 7.460 -8.157 1.00 0.00 C ATOM 0 HA PRO A 49 9.496 5.774 -5.962 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.284 8.781 -6.335 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.065 7.915 -5.027 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.543 9.118 -6.885 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.037 7.561 -6.251 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.717 8.195 -8.887 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.984 7.035 -8.541 1.00 0.00 H new ATOM 810 N GLU A 50 7.391 7.382 -7.856 1.00 0.00 N ATOM 811 CA GLU A 50 5.967 7.554 -8.119 1.00 0.00 C ATOM 812 C GLU A 50 5.300 6.210 -8.403 1.00 0.00 C ATOM 813 O GLU A 50 4.196 5.944 -7.930 1.00 0.00 O ATOM 814 CB GLU A 50 5.757 8.500 -9.301 1.00 0.00 C ATOM 815 CG GLU A 50 6.034 9.959 -8.978 1.00 0.00 C ATOM 816 CD GLU A 50 5.806 10.867 -10.171 1.00 0.00 C ATOM 817 OE1 GLU A 50 4.667 11.346 -10.343 1.00 0.00 O ATOM 818 OE2 GLU A 50 6.768 11.092 -10.935 1.00 0.00 O ATOM 0 H GLU A 50 8.002 7.790 -8.564 1.00 0.00 H new ATOM 0 HA GLU A 50 5.508 7.987 -7.230 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.405 8.190 -10.121 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.730 8.404 -9.652 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.392 10.275 -8.156 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.064 10.064 -8.636 1.00 0.00 H new ATOM 825 N GLU A 51 5.987 5.364 -9.171 1.00 0.00 N ATOM 826 CA GLU A 51 5.466 4.047 -9.521 1.00 0.00 C ATOM 827 C GLU A 51 5.501 3.104 -8.318 1.00 0.00 C ATOM 828 O GLU A 51 4.646 2.231 -8.191 1.00 0.00 O ATOM 829 CB GLU A 51 6.266 3.446 -10.681 1.00 0.00 C ATOM 830 CG GLU A 51 5.488 2.432 -11.504 1.00 0.00 C ATOM 831 CD GLU A 51 5.957 2.370 -12.944 1.00 0.00 C ATOM 832 OE1 GLU A 51 7.145 2.052 -13.168 1.00 0.00 O ATOM 833 OE2 GLU A 51 5.139 2.641 -13.848 1.00 0.00 O ATOM 0 H GLU A 51 6.906 5.570 -9.562 1.00 0.00 H new ATOM 0 HA GLU A 51 4.428 4.169 -9.831 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.600 4.251 -11.335 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.161 2.967 -10.283 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.589 1.446 -11.050 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.428 2.687 -11.481 1.00 0.00 H new ATOM 840 N GLN A 52 6.501 3.279 -7.449 1.00 0.00 N ATOM 841 CA GLN A 52 6.638 2.453 -6.248 1.00 0.00 C ATOM 842 C GLN A 52 5.421 2.605 -5.340 1.00 0.00 C ATOM 843 O GLN A 52 4.841 1.613 -4.897 1.00 0.00 O ATOM 844 CB GLN A 52 7.908 2.832 -5.484 1.00 0.00 C ATOM 845 CG GLN A 52 9.186 2.521 -6.244 1.00 0.00 C ATOM 846 CD GLN A 52 10.169 1.696 -5.439 1.00 0.00 C ATOM 847 OE1 GLN A 52 10.804 2.198 -4.513 1.00 0.00 O ATOM 848 NE2 GLN A 52 10.302 0.424 -5.791 1.00 0.00 N ATOM 0 H GLN A 52 7.228 3.987 -7.556 1.00 0.00 H new ATOM 0 HA GLN A 52 6.708 1.411 -6.561 1.00 0.00 H new ATOM 0 HB2 GLN A 52 7.881 3.897 -5.255 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.922 2.301 -4.532 1.00 0.00 H new ATOM 0 HG2 GLN A 52 8.936 1.986 -7.160 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.662 3.456 -6.541 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.755 0.049 -6.566 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.951 -0.179 -5.287 1.00 0.00 H new ATOM 857 N ALA A 53 5.043 3.853 -5.070 1.00 0.00 N ATOM 858 CA ALA A 53 3.888 4.144 -4.227 1.00 0.00 C ATOM 859 C ALA A 53 2.605 3.646 -4.880 1.00 0.00 C ATOM 860 O ALA A 53 1.710 3.146 -4.201 1.00 0.00 O ATOM 861 CB ALA A 53 3.799 5.636 -3.945 1.00 0.00 C ATOM 0 H ALA A 53 5.522 4.680 -5.425 1.00 0.00 H new ATOM 0 HA ALA A 53 4.014 3.620 -3.280 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.932 5.836 -3.315 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.703 5.964 -3.433 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.697 6.179 -4.885 1.00 0.00 H new ATOM 867 N LYS A 54 2.529 3.781 -6.206 1.00 0.00 N ATOM 868 CA LYS A 54 1.367 3.329 -6.966 1.00 0.00 C ATOM 869 C LYS A 54 1.240 1.812 -6.887 1.00 0.00 C ATOM 870 O LYS A 54 0.137 1.276 -6.826 1.00 0.00 O ATOM 871 CB LYS A 54 1.486 3.773 -8.425 1.00 0.00 C ATOM 872 CG LYS A 54 1.147 5.239 -8.635 1.00 0.00 C ATOM 873 CD LYS A 54 1.275 5.646 -10.094 1.00 0.00 C ATOM 874 CE LYS A 54 1.065 7.141 -10.272 1.00 0.00 C ATOM 875 NZ LYS A 54 1.169 7.555 -11.699 1.00 0.00 N ATOM 0 H LYS A 54 3.263 4.202 -6.775 1.00 0.00 H new ATOM 0 HA LYS A 54 0.472 3.777 -6.534 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.503 3.589 -8.772 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.824 3.162 -9.039 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.130 5.429 -8.293 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.809 5.856 -8.027 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.261 5.369 -10.466 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.544 5.101 -10.691 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.084 7.418 -9.885 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.804 7.683 -9.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.019 8.581 -11.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.114 7.315 -12.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.447 7.058 -12.258 1.00 0.00 H new ATOM 889 N LYS A 55 2.387 1.133 -6.876 1.00 0.00 N ATOM 890 CA LYS A 55 2.428 -0.322 -6.781 1.00 0.00 C ATOM 891 C LYS A 55 1.932 -0.777 -5.418 1.00 0.00 C ATOM 892 O LYS A 55 1.381 -1.861 -5.288 1.00 0.00 O ATOM 893 CB LYS A 55 3.850 -0.840 -7.004 1.00 0.00 C ATOM 894 CG LYS A 55 4.214 -1.025 -8.468 1.00 0.00 C ATOM 895 CD LYS A 55 3.670 -2.336 -9.012 1.00 0.00 C ATOM 896 CE LYS A 55 3.507 -2.285 -10.521 1.00 0.00 C ATOM 897 NZ LYS A 55 3.454 -3.646 -11.118 1.00 0.00 N ATOM 0 H LYS A 55 3.305 1.573 -6.932 1.00 0.00 H new ATOM 0 HA LYS A 55 1.778 -0.728 -7.556 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.555 -0.144 -6.549 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.964 -1.793 -6.488 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.817 -0.194 -9.051 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.298 -1.004 -8.581 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.344 -3.150 -8.745 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.708 -2.553 -8.548 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.594 -1.743 -10.770 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.337 -1.729 -10.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.747 -3.600 -12.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.095 -4.279 -10.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.483 -4.013 -11.060 1.00 0.00 H new ATOM 911 N LEU A 56 2.126 0.069 -4.410 1.00 0.00 N ATOM 912 CA LEU A 56 1.703 -0.243 -3.051 1.00 0.00 C ATOM 913 C LEU A 56 0.194 -0.155 -2.915 1.00 0.00 C ATOM 914 O LEU A 56 -0.437 -1.048 -2.351 1.00 0.00 O ATOM 915 CB LEU A 56 2.359 0.702 -2.055 1.00 0.00 C ATOM 916 CG LEU A 56 2.489 0.141 -0.642 1.00 0.00 C ATOM 917 CD1 LEU A 56 3.802 -0.605 -0.495 1.00 0.00 C ATOM 918 CD2 LEU A 56 2.379 1.251 0.393 1.00 0.00 C ATOM 0 H LEU A 56 2.575 0.979 -4.511 1.00 0.00 H new ATOM 0 HA LEU A 56 2.015 -1.265 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.352 0.964 -2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.781 1.625 -2.014 1.00 0.00 H new ATOM 0 HG LEU A 56 1.671 -0.559 -0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.884 -1.001 0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.835 -1.427 -1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.631 0.076 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.475 0.827 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.173 1.980 0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.411 1.742 0.298 1.00 0.00 H new ATOM 930 N ILE A 57 -0.379 0.935 -3.418 1.00 0.00 N ATOM 931 CA ILE A 57 -1.820 1.127 -3.364 1.00 0.00 C ATOM 932 C ILE A 57 -2.516 0.065 -4.211 1.00 0.00 C ATOM 933 O ILE A 57 -3.596 -0.412 -3.870 1.00 0.00 O ATOM 934 CB ILE A 57 -2.222 2.535 -3.854 1.00 0.00 C ATOM 935 CG1 ILE A 57 -1.456 3.609 -3.079 1.00 0.00 C ATOM 936 CG2 ILE A 57 -3.720 2.749 -3.704 1.00 0.00 C ATOM 937 CD1 ILE A 57 -1.160 4.849 -3.894 1.00 0.00 C ATOM 0 H ILE A 57 0.133 1.695 -3.866 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.133 1.031 -2.324 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.965 2.614 -4.910 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.034 3.892 -2.199 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.517 3.187 -2.721 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.982 3.747 -4.055 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.255 2.005 -4.294 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.999 2.649 -2.655 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.615 5.566 -3.280 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.555 4.579 -4.760 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.096 5.296 -4.230 1.00 0.00 H new ATOM 949 N ASP A 58 -1.861 -0.320 -5.303 1.00 0.00 N ATOM 950 CA ASP A 58 -2.383 -1.335 -6.210 1.00 0.00 C ATOM 951 C ASP A 58 -2.157 -2.734 -5.639 1.00 0.00 C ATOM 952 O ASP A 58 -2.785 -3.697 -6.064 1.00 0.00 O ATOM 953 CB ASP A 58 -1.701 -1.211 -7.575 1.00 0.00 C ATOM 954 CG ASP A 58 -2.482 -0.336 -8.537 1.00 0.00 C ATOM 955 OD1 ASP A 58 -2.367 0.903 -8.440 1.00 0.00 O ATOM 956 OD2 ASP A 58 -3.209 -0.887 -9.386 1.00 0.00 O ATOM 0 H ASP A 58 -0.957 0.062 -5.582 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.455 -1.179 -6.328 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.702 -0.797 -7.442 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.580 -2.204 -8.009 1.00 0.00 H new ATOM 961 N PHE A 59 -1.251 -2.830 -4.672 1.00 0.00 N ATOM 962 CA PHE A 59 -0.933 -4.103 -4.031 1.00 0.00 C ATOM 963 C PHE A 59 -1.985 -4.488 -2.995 1.00 0.00 C ATOM 964 O PHE A 59 -2.278 -5.665 -2.809 1.00 0.00 O ATOM 965 CB PHE A 59 0.431 -4.016 -3.344 1.00 0.00 C ATOM 966 CG PHE A 59 1.433 -5.027 -3.819 1.00 0.00 C ATOM 967 CD1 PHE A 59 2.263 -4.749 -4.894 1.00 0.00 C ATOM 968 CD2 PHE A 59 1.558 -6.247 -3.179 1.00 0.00 C ATOM 969 CE1 PHE A 59 3.199 -5.667 -5.320 1.00 0.00 C ATOM 970 CE2 PHE A 59 2.489 -7.173 -3.602 1.00 0.00 C ATOM 971 CZ PHE A 59 3.312 -6.883 -4.672 1.00 0.00 C ATOM 0 H PHE A 59 -0.720 -2.037 -4.312 1.00 0.00 H new ATOM 0 HA PHE A 59 -0.915 -4.866 -4.809 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.839 -3.018 -3.500 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.291 -4.139 -2.270 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.175 -3.801 -5.404 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.920 -6.477 -2.339 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.842 -5.437 -6.157 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.574 -8.124 -3.097 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.043 -7.606 -5.003 1.00 0.00 H new ATOM 981 N ILE A 60 -2.552 -3.492 -2.323 1.00 0.00 N ATOM 982 CA ILE A 60 -3.546 -3.750 -1.284 1.00 0.00 C ATOM 983 C ILE A 60 -4.988 -3.577 -1.770 1.00 0.00 C ATOM 984 O ILE A 60 -5.880 -4.293 -1.321 1.00 0.00 O ATOM 985 CB ILE A 60 -3.320 -2.844 -0.047 1.00 0.00 C ATOM 986 CG1 ILE A 60 -3.033 -1.397 -0.461 1.00 0.00 C ATOM 987 CG2 ILE A 60 -2.173 -3.374 0.796 1.00 0.00 C ATOM 988 CD1 ILE A 60 -4.231 -0.481 -0.343 1.00 0.00 C ATOM 0 H ILE A 60 -2.343 -2.505 -2.476 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.408 -4.796 -1.008 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.236 -2.857 0.543 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.225 -1.005 0.157 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.679 -1.387 -1.492 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.027 -2.726 1.661 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.406 -4.384 1.134 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.261 -3.393 0.199 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.951 0.526 -0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.034 -0.848 -0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.572 -0.460 0.692 1.00 0.00 H new ATOM 1000 N LEU A 61 -5.214 -2.652 -2.699 1.00 0.00 N ATOM 1001 CA LEU A 61 -6.566 -2.384 -3.192 1.00 0.00 C ATOM 1002 C LEU A 61 -7.042 -3.416 -4.215 1.00 0.00 C ATOM 1003 O LEU A 61 -8.215 -3.429 -4.584 1.00 0.00 O ATOM 1004 CB LEU A 61 -6.643 -0.986 -3.802 1.00 0.00 C ATOM 1005 CG LEU A 61 -7.964 -0.253 -3.568 1.00 0.00 C ATOM 1006 CD1 LEU A 61 -7.986 0.375 -2.184 1.00 0.00 C ATOM 1007 CD2 LEU A 61 -8.182 0.804 -4.639 1.00 0.00 C ATOM 0 H LEU A 61 -4.486 -2.078 -3.124 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.229 -2.452 -2.329 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.832 -0.382 -3.394 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.473 -1.064 -4.876 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.777 -0.977 -3.629 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.933 0.893 -2.034 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.875 -0.404 -1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.166 1.087 -2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.127 1.316 -4.458 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.366 1.526 -4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.210 0.328 -5.619 1.00 0.00 H new ATOM 1019 N LYS A 62 -6.145 -4.285 -4.667 1.00 0.00 N ATOM 1020 CA LYS A 62 -6.511 -5.294 -5.657 1.00 0.00 C ATOM 1021 C LYS A 62 -6.814 -6.642 -5.019 1.00 0.00 C ATOM 1022 O LYS A 62 -7.251 -7.570 -5.699 1.00 0.00 O ATOM 1023 CB LYS A 62 -5.393 -5.460 -6.678 1.00 0.00 C ATOM 1024 CG LYS A 62 -5.433 -4.430 -7.788 1.00 0.00 C ATOM 1025 CD LYS A 62 -4.347 -4.690 -8.813 1.00 0.00 C ATOM 1026 CE LYS A 62 -4.376 -3.658 -9.923 1.00 0.00 C ATOM 1027 NZ LYS A 62 -3.251 -3.841 -10.879 1.00 0.00 N ATOM 0 H LYS A 62 -5.170 -4.313 -4.369 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.418 -4.943 -6.150 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.432 -5.395 -6.167 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.455 -6.457 -7.115 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.409 -4.452 -8.274 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.309 -3.432 -7.367 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.373 -4.674 -8.325 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.475 -5.686 -9.237 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.323 -3.727 -10.459 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.327 -2.658 -9.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.306 -3.116 -11.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.347 -3.750 -10.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.312 -4.785 -11.311 1.00 0.00 H new ATOM 1041 N LEU A 63 -6.590 -6.753 -3.719 1.00 0.00 N ATOM 1042 CA LEU A 63 -6.837 -8.007 -3.023 1.00 0.00 C ATOM 1043 C LEU A 63 -8.143 -7.963 -2.239 1.00 0.00 C ATOM 1044 O LEU A 63 -8.841 -6.948 -2.222 1.00 0.00 O ATOM 1045 CB LEU A 63 -5.671 -8.346 -2.101 1.00 0.00 C ATOM 1046 CG LEU A 63 -4.425 -8.865 -2.818 1.00 0.00 C ATOM 1047 CD1 LEU A 63 -3.180 -8.552 -2.012 1.00 0.00 C ATOM 1048 CD2 LEU A 63 -4.534 -10.360 -3.072 1.00 0.00 C ATOM 0 H LEU A 63 -6.241 -5.998 -3.129 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.928 -8.791 -3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.403 -7.455 -1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.000 -9.096 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.349 -8.360 -3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.302 -8.929 -2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.091 -7.473 -1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.250 -9.029 -1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.637 -10.709 -3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.637 -10.884 -2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.407 -10.561 -3.693 1.00 0.00 H new ATOM 1060 N SER A 64 -8.459 -9.075 -1.588 1.00 0.00 N ATOM 1061 CA SER A 64 -9.687 -9.199 -0.813 1.00 0.00 C ATOM 1062 C SER A 64 -9.581 -8.496 0.543 1.00 0.00 C ATOM 1063 O SER A 64 -8.484 -8.184 1.011 1.00 0.00 O ATOM 1064 CB SER A 64 -10.015 -10.683 -0.619 1.00 0.00 C ATOM 1065 OG SER A 64 -8.911 -11.385 -0.075 1.00 0.00 O ATOM 0 H SER A 64 -7.876 -9.912 -1.582 1.00 0.00 H new ATOM 0 HA SER A 64 -10.490 -8.711 -1.366 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.875 -10.784 0.042 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.294 -11.124 -1.576 1.00 0.00 H new ATOM 0 HG SER A 64 -9.148 -12.329 0.040 1.00 0.00 H new ATOM 1071 N PRO A 65 -10.740 -8.224 1.179 1.00 0.00 N ATOM 1072 CA PRO A 65 -10.809 -7.564 2.496 1.00 0.00 C ATOM 1073 C PRO A 65 -10.021 -8.296 3.591 1.00 0.00 C ATOM 1074 O PRO A 65 -9.585 -7.683 4.563 1.00 0.00 O ATOM 1075 CB PRO A 65 -12.307 -7.576 2.821 1.00 0.00 C ATOM 1076 CG PRO A 65 -12.986 -7.683 1.500 1.00 0.00 C ATOM 1077 CD PRO A 65 -12.084 -8.514 0.643 1.00 0.00 C ATOM 0 HA PRO A 65 -10.364 -6.570 2.461 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.564 -8.416 3.466 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.605 -6.668 3.346 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -13.967 -8.148 1.601 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -13.144 -6.698 1.061 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -12.325 -9.574 0.716 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -12.165 -8.240 -0.409 1.00 0.00 H new ATOM 1085 N ALA A 66 -9.862 -9.609 3.444 1.00 0.00 N ATOM 1086 CA ALA A 66 -9.126 -10.404 4.423 1.00 0.00 C ATOM 1087 C ALA A 66 -7.616 -10.183 4.309 1.00 0.00 C ATOM 1088 O ALA A 66 -6.888 -10.298 5.295 1.00 0.00 O ATOM 1089 CB ALA A 66 -9.463 -11.878 4.252 1.00 0.00 C ATOM 0 H ALA A 66 -10.232 -10.144 2.658 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.429 -10.079 5.418 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.910 -12.465 4.986 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.533 -12.026 4.400 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -9.188 -12.200 3.248 1.00 0.00 H new ATOM 1095 N ASP A 67 -7.157 -9.860 3.102 1.00 0.00 N ATOM 1096 CA ASP A 67 -5.737 -9.631 2.846 1.00 0.00 C ATOM 1097 C ASP A 67 -5.263 -8.274 3.375 1.00 0.00 C ATOM 1098 O ASP A 67 -4.144 -8.156 3.874 1.00 0.00 O ATOM 1099 CB ASP A 67 -5.455 -9.736 1.345 1.00 0.00 C ATOM 1100 CG ASP A 67 -4.139 -10.427 1.042 1.00 0.00 C ATOM 1101 OD1 ASP A 67 -3.078 -9.830 1.313 1.00 0.00 O ATOM 1102 OD2 ASP A 67 -4.170 -11.564 0.531 1.00 0.00 O ATOM 0 H ASP A 67 -7.752 -9.750 2.281 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.180 -10.400 3.381 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.266 -10.283 0.865 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.444 -8.736 0.911 1.00 0.00 H new ATOM 1107 N VAL A 68 -6.117 -7.250 3.279 1.00 0.00 N ATOM 1108 CA VAL A 68 -5.749 -5.908 3.742 1.00 0.00 C ATOM 1109 C VAL A 68 -5.629 -5.837 5.264 1.00 0.00 C ATOM 1110 O VAL A 68 -4.842 -5.048 5.786 1.00 0.00 O ATOM 1111 CB VAL A 68 -6.729 -4.811 3.260 1.00 0.00 C ATOM 1112 CG1 VAL A 68 -6.593 -4.582 1.764 1.00 0.00 C ATOM 1113 CG2 VAL A 68 -8.165 -5.144 3.621 1.00 0.00 C ATOM 0 H VAL A 68 -7.057 -7.322 2.890 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.774 -5.714 3.296 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.464 -3.889 3.776 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.292 -3.807 1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.575 -4.267 1.535 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.815 -5.508 1.233 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.823 -4.351 3.266 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.449 -6.087 3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.257 -5.234 4.703 1.00 0.00 H new ATOM 1123 N GLN A 69 -6.422 -6.652 5.966 1.00 0.00 N ATOM 1124 CA GLN A 69 -6.420 -6.679 7.434 1.00 0.00 C ATOM 1125 C GLN A 69 -5.013 -6.867 8.005 1.00 0.00 C ATOM 1126 O GLN A 69 -4.654 -6.239 9.000 1.00 0.00 O ATOM 1127 CB GLN A 69 -7.338 -7.794 7.943 1.00 0.00 C ATOM 1128 CG GLN A 69 -8.033 -7.457 9.252 1.00 0.00 C ATOM 1129 CD GLN A 69 -9.238 -6.560 9.053 1.00 0.00 C ATOM 1130 OE1 GLN A 69 -10.342 -7.033 8.791 1.00 0.00 O ATOM 1131 NE2 GLN A 69 -9.031 -5.254 9.174 1.00 0.00 N ATOM 0 H GLN A 69 -7.078 -7.306 5.539 1.00 0.00 H new ATOM 0 HA GLN A 69 -6.790 -5.712 7.776 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -8.092 -8.008 7.185 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.752 -8.704 8.075 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.347 -8.379 9.741 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.325 -6.967 9.920 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -8.098 -4.904 9.392 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.805 -4.601 9.049 1.00 0.00 H new ATOM 1140 N ALA A 70 -4.220 -7.721 7.358 1.00 0.00 N ATOM 1141 CA ALA A 70 -2.856 -8.002 7.799 1.00 0.00 C ATOM 1142 C ALA A 70 -1.944 -6.779 7.662 1.00 0.00 C ATOM 1143 O ALA A 70 -1.052 -6.569 8.485 1.00 0.00 O ATOM 1144 CB ALA A 70 -2.292 -9.174 7.005 1.00 0.00 C ATOM 0 H ALA A 70 -4.502 -8.232 6.522 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.893 -8.259 8.858 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.274 -9.382 7.336 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.913 -10.055 7.166 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.285 -8.925 5.944 1.00 0.00 H new ATOM 1150 N ARG A 71 -2.184 -5.973 6.627 1.00 0.00 N ATOM 1151 CA ARG A 71 -1.380 -4.776 6.367 1.00 0.00 C ATOM 1152 C ARG A 71 -1.688 -3.653 7.350 1.00 0.00 C ATOM 1153 O ARG A 71 -0.810 -2.861 7.688 1.00 0.00 O ATOM 1154 CB ARG A 71 -1.619 -4.282 4.942 1.00 0.00 C ATOM 1155 CG ARG A 71 -0.763 -4.988 3.906 1.00 0.00 C ATOM 1156 CD ARG A 71 -1.473 -6.197 3.323 1.00 0.00 C ATOM 1157 NE ARG A 71 -0.802 -6.690 2.124 1.00 0.00 N ATOM 1158 CZ ARG A 71 -1.410 -6.890 0.959 1.00 0.00 C ATOM 1159 NH1 ARG A 71 -2.706 -6.646 0.828 1.00 0.00 N ATOM 1160 NH2 ARG A 71 -0.716 -7.329 -0.083 1.00 0.00 N ATOM 0 H ARG A 71 -2.932 -6.128 5.951 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.334 -5.057 6.495 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.670 -4.421 4.689 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -1.419 -3.211 4.899 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.512 -4.292 3.106 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.176 -5.302 4.362 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.514 -6.990 4.069 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -2.503 -5.933 3.082 1.00 0.00 H new ATOM 0 HE ARG A 71 0.196 -6.894 2.184 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -3.243 -6.302 1.624 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.166 -6.802 -0.069 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.283 -7.513 0.010 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.181 -7.483 -0.977 1.00 0.00 H new ATOM 1174 N ILE A 72 -2.936 -3.574 7.795 1.00 0.00 N ATOM 1175 CA ILE A 72 -3.336 -2.539 8.739 1.00 0.00 C ATOM 1176 C ILE A 72 -2.815 -2.867 10.138 1.00 0.00 C ATOM 1177 O ILE A 72 -2.459 -1.972 10.904 1.00 0.00 O ATOM 1178 CB ILE A 72 -4.873 -2.360 8.770 1.00 0.00 C ATOM 1179 CG1 ILE A 72 -5.395 -2.027 7.371 1.00 0.00 C ATOM 1180 CG2 ILE A 72 -5.277 -1.265 9.751 1.00 0.00 C ATOM 1181 CD1 ILE A 72 -6.720 -2.678 7.047 1.00 0.00 C ATOM 0 H ILE A 72 -3.684 -4.210 7.519 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.897 -1.599 8.405 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.316 -3.299 9.103 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.499 -0.946 7.279 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.656 -2.340 6.633 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.362 -1.160 9.753 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.936 -1.530 10.752 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.822 -0.321 9.450 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.027 -2.397 6.040 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.617 -3.762 7.106 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.473 -2.346 7.762 1.00 0.00 H new ATOM 1193 N ASN A 73 -2.750 -4.162 10.450 1.00 0.00 N ATOM 1194 CA ASN A 73 -2.268 -4.620 11.751 1.00 0.00 C ATOM 1195 C ASN A 73 -0.755 -4.438 11.884 1.00 0.00 C ATOM 1196 O ASN A 73 -0.264 -4.060 12.947 1.00 0.00 O ATOM 1197 CB ASN A 73 -2.621 -6.095 11.962 1.00 0.00 C ATOM 1198 CG ASN A 73 -4.095 -6.312 12.245 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -4.768 -5.448 12.808 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -4.606 -7.473 11.855 1.00 0.00 N ATOM 0 H ASN A 73 -3.026 -4.913 9.817 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.758 -4.013 12.512 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -2.339 -6.662 11.075 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.035 -6.489 12.792 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -5.592 -7.677 12.019 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -4.013 -8.161 11.392 1.00 0.00 H new ATOM 1207 N VAL A 74 -0.024 -4.705 10.800 1.00 0.00 N ATOM 1208 CA VAL A 74 1.433 -4.576 10.805 1.00 0.00 C ATOM 1209 C VAL A 74 1.861 -3.105 10.818 1.00 0.00 C ATOM 1210 O VAL A 74 2.851 -2.744 11.452 1.00 0.00 O ATOM 1211 CB VAL A 74 2.084 -5.320 9.607 1.00 0.00 C ATOM 1212 CG1 VAL A 74 1.826 -4.605 8.291 1.00 0.00 C ATOM 1213 CG2 VAL A 74 3.578 -5.495 9.827 1.00 0.00 C ATOM 0 H VAL A 74 -0.417 -5.011 9.910 1.00 0.00 H new ATOM 0 HA VAL A 74 1.789 -5.046 11.722 1.00 0.00 H new ATOM 0 HB VAL A 74 1.619 -6.304 9.548 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.298 -5.157 7.478 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.752 -4.545 8.114 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.243 -3.599 8.336 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.012 -6.018 8.975 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.048 -4.517 9.930 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.747 -6.075 10.734 1.00 0.00 H new ATOM 1223 N LEU A 75 1.094 -2.264 10.126 1.00 0.00 N ATOM 1224 CA LEU A 75 1.386 -0.836 10.035 1.00 0.00 C ATOM 1225 C LEU A 75 1.235 -0.136 11.383 1.00 0.00 C ATOM 1226 O LEU A 75 2.007 0.764 11.707 1.00 0.00 O ATOM 1227 CB LEU A 75 0.456 -0.188 9.007 1.00 0.00 C ATOM 1228 CG LEU A 75 1.038 1.014 8.270 1.00 0.00 C ATOM 1229 CD1 LEU A 75 2.227 0.596 7.425 1.00 0.00 C ATOM 1230 CD2 LEU A 75 -0.022 1.673 7.404 1.00 0.00 C ATOM 0 H LEU A 75 0.259 -2.551 9.616 1.00 0.00 H new ATOM 0 HA LEU A 75 2.424 -0.726 9.722 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.172 -0.941 8.272 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.457 0.124 9.513 1.00 0.00 H new ATOM 0 HG LEU A 75 1.378 1.738 9.010 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.629 1.467 6.907 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.997 0.168 8.067 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.910 -0.147 6.694 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.412 2.528 6.886 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.392 0.955 6.672 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.847 2.009 8.032 1.00 0.00 H new ATOM 1242 N ARG A 76 0.254 -0.565 12.170 1.00 0.00 N ATOM 1243 CA ARG A 76 -0.005 0.037 13.474 1.00 0.00 C ATOM 1244 C ARG A 76 1.106 -0.256 14.480 1.00 0.00 C ATOM 1245 O ARG A 76 1.462 0.604 15.286 1.00 0.00 O ATOM 1246 CB ARG A 76 -1.341 -0.466 14.024 1.00 0.00 C ATOM 1247 CG ARG A 76 -2.549 0.078 13.279 1.00 0.00 C ATOM 1248 CD ARG A 76 -3.071 1.354 13.913 1.00 0.00 C ATOM 1249 NE ARG A 76 -4.248 1.867 13.216 1.00 0.00 N ATOM 1250 CZ ARG A 76 -4.895 2.970 13.575 1.00 0.00 C ATOM 1251 NH1 ARG A 76 -4.479 3.676 14.618 1.00 0.00 N ATOM 1252 NH2 ARG A 76 -5.960 3.369 12.892 1.00 0.00 N ATOM 0 H ARG A 76 -0.376 -1.329 11.927 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.042 1.117 13.330 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.356 -1.555 13.978 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.419 -0.190 15.076 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.280 0.271 12.241 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.339 -0.673 13.269 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.321 1.165 14.957 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.286 2.110 13.905 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.592 1.349 12.408 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.661 3.372 15.146 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.977 4.523 14.892 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.283 2.828 12.090 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.456 4.216 13.169 1.00 0.00 H new ATOM 1266 N ALA A 77 1.662 -1.461 14.420 1.00 0.00 N ATOM 1267 CA ALA A 77 2.708 -1.867 15.353 1.00 0.00 C ATOM 1268 C ALA A 77 4.108 -1.441 14.909 1.00 0.00 C ATOM 1269 O ALA A 77 5.052 -1.502 15.695 1.00 0.00 O ATOM 1270 CB ALA A 77 2.658 -3.372 15.561 1.00 0.00 C ATOM 0 H ALA A 77 1.407 -2.173 13.736 1.00 0.00 H new ATOM 0 HA ALA A 77 2.511 -1.353 16.294 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.441 -3.669 16.258 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.686 -3.651 15.967 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.811 -3.876 14.607 1.00 0.00 H new ATOM 1276 N HIS A 78 4.249 -1.007 13.657 1.00 0.00 N ATOM 1277 CA HIS A 78 5.554 -0.585 13.147 1.00 0.00 C ATOM 1278 C HIS A 78 5.776 0.915 13.332 1.00 0.00 C ATOM 1279 O HIS A 78 6.843 1.434 13.001 1.00 0.00 O ATOM 1280 CB HIS A 78 5.710 -0.967 11.672 1.00 0.00 C ATOM 1281 CG HIS A 78 6.323 -2.322 11.485 1.00 0.00 C ATOM 1282 ND1 HIS A 78 5.674 -3.490 11.820 1.00 0.00 N ATOM 1283 CD2 HIS A 78 7.541 -2.692 11.018 1.00 0.00 C ATOM 1284 CE1 HIS A 78 6.463 -4.520 11.573 1.00 0.00 C ATOM 1285 NE2 HIS A 78 7.601 -4.062 11.087 1.00 0.00 N ATOM 0 H HIS A 78 3.486 -0.938 12.984 1.00 0.00 H new ATOM 0 HA HIS A 78 6.313 -1.108 13.728 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.732 -0.946 11.191 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.328 -0.221 11.172 1.00 0.00 H new ATOM 0 HD1 HIS A 78 4.729 -3.550 12.200 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.318 -2.033 10.659 1.00 0.00 H new ATOM 0 HE1 HIS A 78 6.219 -5.559 11.740 1.00 0.00 H new ATOM 1294 N GLY A 79 4.771 1.605 13.861 1.00 0.00 N ATOM 1295 CA GLY A 79 4.894 3.034 14.087 1.00 0.00 C ATOM 1296 C GLY A 79 4.213 3.869 13.020 1.00 0.00 C ATOM 1297 O GLY A 79 4.195 5.095 13.107 1.00 0.00 O ATOM 0 H GLY A 79 3.876 1.202 14.137 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.466 3.280 15.059 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.950 3.299 14.127 1.00 0.00 H new ATOM 1301 N TYR A 80 3.645 3.209 12.015 1.00 0.00 N ATOM 1302 CA TYR A 80 2.964 3.910 10.931 1.00 0.00 C ATOM 1303 C TYR A 80 1.449 3.844 11.123 1.00 0.00 C ATOM 1304 O TYR A 80 0.693 3.622 10.179 1.00 0.00 O ATOM 1305 CB TYR A 80 3.367 3.303 9.584 1.00 0.00 C ATOM 1306 CG TYR A 80 4.843 3.432 9.270 1.00 0.00 C ATOM 1307 CD1 TYR A 80 5.748 2.460 9.678 1.00 0.00 C ATOM 1308 CD2 TYR A 80 5.333 4.527 8.567 1.00 0.00 C ATOM 1309 CE1 TYR A 80 7.096 2.575 9.398 1.00 0.00 C ATOM 1310 CE2 TYR A 80 6.679 4.649 8.281 1.00 0.00 C ATOM 1311 CZ TYR A 80 7.557 3.671 8.700 1.00 0.00 C ATOM 1312 OH TYR A 80 8.900 3.787 8.425 1.00 0.00 O ATOM 0 H TYR A 80 3.643 2.193 11.929 1.00 0.00 H new ATOM 0 HA TYR A 80 3.262 4.958 10.944 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.095 2.248 9.576 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.794 3.786 8.793 1.00 0.00 H new ATOM 0 HD1 TYR A 80 5.391 1.599 10.224 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.649 5.296 8.239 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.785 1.810 9.724 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.042 5.505 7.732 1.00 0.00 H new ATOM 0 HH TYR A 80 9.019 4.225 7.557 1.00 0.00 H new ATOM 1322 N GLN A 81 1.027 4.053 12.366 1.00 0.00 N ATOM 1323 CA GLN A 81 -0.384 4.007 12.749 1.00 0.00 C ATOM 1324 C GLN A 81 -1.194 5.145 12.124 1.00 0.00 C ATOM 1325 O GLN A 81 -2.370 4.967 11.809 1.00 0.00 O ATOM 1326 CB GLN A 81 -0.506 4.050 14.276 1.00 0.00 C ATOM 1327 CG GLN A 81 0.285 5.180 14.916 1.00 0.00 C ATOM 1328 CD GLN A 81 0.150 5.213 16.426 1.00 0.00 C ATOM 1329 OE1 GLN A 81 0.935 4.599 17.145 1.00 0.00 O ATOM 1330 NE2 GLN A 81 -0.849 5.940 16.912 1.00 0.00 N ATOM 0 H GLN A 81 1.656 4.260 13.142 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.798 3.073 12.370 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.557 4.155 14.546 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -0.164 3.100 14.687 1.00 0.00 H new ATOM 0 HG2 GLN A 81 1.337 5.075 14.653 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.053 6.131 14.505 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.477 6.433 16.277 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.989 6.005 17.920 1.00 0.00 H new ATOM 1339 N ALA A 82 -0.567 6.311 11.958 1.00 0.00 N ATOM 1340 CA ALA A 82 -1.237 7.466 11.359 1.00 0.00 C ATOM 1341 C ALA A 82 -1.574 7.185 9.899 1.00 0.00 C ATOM 1342 O ALA A 82 -2.573 7.672 9.369 1.00 0.00 O ATOM 1343 CB ALA A 82 -0.358 8.704 11.476 1.00 0.00 C ATOM 0 H ALA A 82 0.402 6.480 12.229 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.167 7.649 11.898 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.868 9.556 11.027 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.161 8.912 12.528 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.585 8.531 10.958 1.00 0.00 H new ATOM 1349 N LEU A 83 -0.722 6.388 9.268 1.00 0.00 N ATOM 1350 CA LEU A 83 -0.895 6.000 7.876 1.00 0.00 C ATOM 1351 C LEU A 83 -2.022 4.979 7.741 1.00 0.00 C ATOM 1352 O LEU A 83 -2.789 5.007 6.778 1.00 0.00 O ATOM 1353 CB LEU A 83 0.413 5.410 7.345 1.00 0.00 C ATOM 1354 CG LEU A 83 1.467 6.435 6.916 1.00 0.00 C ATOM 1355 CD1 LEU A 83 2.255 6.934 8.120 1.00 0.00 C ATOM 1356 CD2 LEU A 83 2.404 5.829 5.887 1.00 0.00 C ATOM 0 H LEU A 83 0.109 5.992 9.708 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.159 6.882 7.293 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.844 4.772 8.116 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.184 4.770 6.493 1.00 0.00 H new ATOM 0 HG LEU A 83 0.955 7.285 6.465 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.998 7.661 7.793 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.575 7.405 8.830 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.757 6.094 8.600 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.148 6.569 5.592 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.906 4.962 6.318 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.832 5.520 5.012 1.00 0.00 H new ATOM 1368 N ALA A 84 -2.116 4.085 8.729 1.00 0.00 N ATOM 1369 CA ALA A 84 -3.134 3.036 8.741 1.00 0.00 C ATOM 1370 C ALA A 84 -4.532 3.602 8.981 1.00 0.00 C ATOM 1371 O ALA A 84 -5.527 2.965 8.642 1.00 0.00 O ATOM 1372 CB ALA A 84 -2.798 1.991 9.797 1.00 0.00 C ATOM 0 H ALA A 84 -1.493 4.069 9.536 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.136 2.566 7.757 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.563 1.215 9.797 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.829 1.545 9.573 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.761 2.464 10.778 1.00 0.00 H new ATOM 1378 N ASP A 85 -4.603 4.795 9.567 1.00 0.00 N ATOM 1379 CA ASP A 85 -5.884 5.441 9.842 1.00 0.00 C ATOM 1380 C ASP A 85 -6.420 6.153 8.602 1.00 0.00 C ATOM 1381 O ASP A 85 -7.632 6.291 8.428 1.00 0.00 O ATOM 1382 CB ASP A 85 -5.738 6.441 10.991 1.00 0.00 C ATOM 1383 CG ASP A 85 -7.031 6.635 11.760 1.00 0.00 C ATOM 1384 OD1 ASP A 85 -7.267 5.876 12.724 1.00 0.00 O ATOM 1385 OD2 ASP A 85 -7.805 7.545 11.401 1.00 0.00 O ATOM 0 H ASP A 85 -3.788 5.334 9.861 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.595 4.666 10.127 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.962 6.095 11.673 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.408 7.401 10.593 1.00 0.00 H new ATOM 1390 N LYS A 86 -5.509 6.588 7.737 1.00 0.00 N ATOM 1391 CA LYS A 86 -5.889 7.294 6.520 1.00 0.00 C ATOM 1392 C LYS A 86 -6.461 6.346 5.470 1.00 0.00 C ATOM 1393 O LYS A 86 -7.526 6.605 4.913 1.00 0.00 O ATOM 1394 CB LYS A 86 -4.690 8.051 5.946 1.00 0.00 C ATOM 1395 CG LYS A 86 -5.068 9.361 5.275 1.00 0.00 C ATOM 1396 CD LYS A 86 -3.841 10.112 4.786 1.00 0.00 C ATOM 1397 CE LYS A 86 -4.224 11.425 4.123 1.00 0.00 C ATOM 1398 NZ LYS A 86 -3.031 12.176 3.645 1.00 0.00 N ATOM 0 H LYS A 86 -4.504 6.464 7.857 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.670 8.006 6.786 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.980 8.254 6.748 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.180 7.415 5.223 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.733 9.162 4.434 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.621 9.984 5.978 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.173 10.307 5.625 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.291 9.492 4.078 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.888 11.226 3.282 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.780 12.040 4.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.316 12.842 2.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.612 12.702 4.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.331 11.509 3.264 1.00 0.00 H new ATOM 1412 N LEU A 87 -5.762 5.243 5.206 1.00 0.00 N ATOM 1413 CA LEU A 87 -6.218 4.279 4.206 1.00 0.00 C ATOM 1414 C LEU A 87 -7.452 3.517 4.682 1.00 0.00 C ATOM 1415 O LEU A 87 -8.256 3.073 3.867 1.00 0.00 O ATOM 1416 CB LEU A 87 -5.099 3.295 3.839 1.00 0.00 C ATOM 1417 CG LEU A 87 -4.382 2.629 5.018 1.00 0.00 C ATOM 1418 CD1 LEU A 87 -4.975 1.258 5.308 1.00 0.00 C ATOM 1419 CD2 LEU A 87 -2.894 2.505 4.731 1.00 0.00 C ATOM 0 H LEU A 87 -4.886 4.996 5.666 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.492 4.845 3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.521 2.514 3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.358 3.824 3.240 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.521 3.257 5.898 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.450 0.805 6.149 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.032 1.363 5.554 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.869 0.622 4.429 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.398 2.030 5.578 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.745 1.899 3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.470 3.497 4.572 1.00 0.00 H new ATOM 1431 N ASN A 88 -7.601 3.370 5.998 1.00 0.00 N ATOM 1432 CA ASN A 88 -8.741 2.651 6.563 1.00 0.00 C ATOM 1433 C ASN A 88 -10.045 3.402 6.324 1.00 0.00 C ATOM 1434 O ASN A 88 -11.079 2.792 6.058 1.00 0.00 O ATOM 1435 CB ASN A 88 -8.546 2.430 8.064 1.00 0.00 C ATOM 1436 CG ASN A 88 -9.245 1.177 8.555 1.00 0.00 C ATOM 1437 OD1 ASN A 88 -10.398 1.219 8.983 1.00 0.00 O ATOM 1438 ND2 ASN A 88 -8.546 0.051 8.497 1.00 0.00 N ATOM 0 H ASN A 88 -6.949 3.738 6.690 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.800 1.686 6.060 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.481 2.359 8.284 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.927 3.294 8.609 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.962 -0.824 8.814 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.592 0.061 8.135 1.00 0.00 H new ATOM 1445 N LYS A 89 -9.989 4.727 6.407 1.00 0.00 N ATOM 1446 CA LYS A 89 -11.175 5.552 6.219 1.00 0.00 C ATOM 1447 C LYS A 89 -11.664 5.531 4.773 1.00 0.00 C ATOM 1448 O LYS A 89 -12.863 5.436 4.528 1.00 0.00 O ATOM 1449 CB LYS A 89 -10.904 6.991 6.661 1.00 0.00 C ATOM 1450 CG LYS A 89 -12.125 7.667 7.259 1.00 0.00 C ATOM 1451 CD LYS A 89 -11.822 9.078 7.729 1.00 0.00 C ATOM 1452 CE LYS A 89 -13.048 9.716 8.357 1.00 0.00 C ATOM 1453 NZ LYS A 89 -14.045 10.126 7.330 1.00 0.00 N ATOM 0 H LYS A 89 -9.136 5.251 6.603 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.963 5.128 6.841 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -10.098 6.994 7.395 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.558 7.569 5.804 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -12.923 7.696 6.517 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -12.491 7.076 8.099 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.007 9.057 8.453 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.485 9.681 6.886 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.509 9.013 9.051 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.747 10.587 8.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.868 10.557 7.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.613 10.816 6.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -14.352 9.291 6.791 1.00 0.00 H new ATOM 1467 N TYR A 90 -10.739 5.625 3.823 1.00 0.00 N ATOM 1468 CA TYR A 90 -11.091 5.615 2.404 1.00 0.00 C ATOM 1469 C TYR A 90 -11.534 4.223 1.960 1.00 0.00 C ATOM 1470 O TYR A 90 -12.311 4.076 1.014 1.00 0.00 O ATOM 1471 CB TYR A 90 -9.898 6.075 1.563 1.00 0.00 C ATOM 1472 CG TYR A 90 -9.651 7.562 1.636 1.00 0.00 C ATOM 1473 CD1 TYR A 90 -10.365 8.442 0.836 1.00 0.00 C ATOM 1474 CD2 TYR A 90 -8.706 8.086 2.509 1.00 0.00 C ATOM 1475 CE1 TYR A 90 -10.143 9.804 0.904 1.00 0.00 C ATOM 1476 CE2 TYR A 90 -8.480 9.444 2.583 1.00 0.00 C ATOM 1477 CZ TYR A 90 -9.200 10.299 1.779 1.00 0.00 C ATOM 1478 OH TYR A 90 -8.976 11.652 1.851 1.00 0.00 O ATOM 0 H TYR A 90 -9.739 5.709 4.008 1.00 0.00 H new ATOM 0 HA TYR A 90 -11.923 6.304 2.256 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -9.004 5.549 1.896 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -10.065 5.793 0.524 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.105 8.057 0.150 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.139 7.418 3.140 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.706 10.478 0.275 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.742 9.835 3.268 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.347 12.088 1.056 1.00 0.00 H new ATOM 1488 N LEU A 91 -11.033 3.212 2.653 1.00 0.00 N ATOM 1489 CA LEU A 91 -11.354 1.825 2.348 1.00 0.00 C ATOM 1490 C LEU A 91 -12.739 1.447 2.879 1.00 0.00 C ATOM 1491 O LEU A 91 -13.500 0.750 2.207 1.00 0.00 O ATOM 1492 CB LEU A 91 -10.280 0.919 2.952 1.00 0.00 C ATOM 1493 CG LEU A 91 -10.594 -0.573 2.958 1.00 0.00 C ATOM 1494 CD1 LEU A 91 -9.439 -1.357 2.357 1.00 0.00 C ATOM 1495 CD2 LEU A 91 -10.880 -1.041 4.377 1.00 0.00 C ATOM 0 H LEU A 91 -10.395 3.328 3.440 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.374 1.696 1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.351 1.073 2.403 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -10.099 1.237 3.979 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.481 -0.750 2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -9.677 -2.421 2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.274 -1.032 1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.536 -1.181 2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -11.103 -2.108 4.370 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.007 -0.857 5.004 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.735 -0.494 4.775 1.00 0.00 H new ATOM 1507 N THR A 92 -13.060 1.914 4.083 1.00 0.00 N ATOM 1508 CA THR A 92 -14.351 1.625 4.705 1.00 0.00 C ATOM 1509 C THR A 92 -15.333 2.783 4.522 1.00 0.00 C ATOM 1510 O THR A 92 -16.361 2.850 5.201 1.00 0.00 O ATOM 1511 CB THR A 92 -14.205 1.311 6.209 1.00 0.00 C ATOM 1512 OG1 THR A 92 -12.968 0.634 6.452 1.00 0.00 O ATOM 1513 CG2 THR A 92 -15.359 0.446 6.695 1.00 0.00 C ATOM 0 H THR A 92 -12.442 2.496 4.649 1.00 0.00 H new ATOM 0 HA THR A 92 -14.745 0.743 4.201 1.00 0.00 H new ATOM 0 HB THR A 92 -14.218 2.254 6.755 1.00 0.00 H new ATOM 0 HG1 THR A 92 -12.226 1.267 6.363 1.00 0.00 H new ATOM 0 HG21 THR A 92 -15.235 0.237 7.758 1.00 0.00 H new ATOM 0 HG22 THR A 92 -16.300 0.972 6.536 1.00 0.00 H new ATOM 0 HG23 THR A 92 -15.369 -0.492 6.140 1.00 0.00 H new ATOM 1521 N LEU A 93 -14.997 3.704 3.617 1.00 0.00 N ATOM 1522 CA LEU A 93 -15.844 4.862 3.334 1.00 0.00 C ATOM 1523 C LEU A 93 -17.277 4.431 3.043 1.00 0.00 C ATOM 1524 O LEU A 93 -18.230 5.038 3.534 1.00 0.00 O ATOM 1525 CB LEU A 93 -15.289 5.651 2.147 1.00 0.00 C ATOM 1526 CG LEU A 93 -15.711 7.121 2.092 1.00 0.00 C ATOM 1527 CD1 LEU A 93 -14.795 7.973 2.955 1.00 0.00 C ATOM 1528 CD2 LEU A 93 -15.702 7.622 0.659 1.00 0.00 C ATOM 0 H LEU A 93 -14.140 3.669 3.066 1.00 0.00 H new ATOM 0 HA LEU A 93 -15.846 5.500 4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -14.200 5.602 2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -15.606 5.163 1.226 1.00 0.00 H new ATOM 0 HG LEU A 93 -16.726 7.201 2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -15.111 9.015 2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -14.846 7.630 3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.770 7.886 2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -16.005 8.669 0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -14.698 7.526 0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -16.397 7.031 0.063 1.00 0.00 H new