USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 598 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 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 83 MET CE :methyl 174:sc= -1.38 (180deg=-1.5) USER MOD Set 2.1: A 50 THR OG1 : rot -83:sc= -2.07! USER MOD Set 2.2: A 57 GLN : amide:sc= -0.441 K(o=-2.5,f=-5.5!) USER MOD Set 3.1: A 44 GLN : amide:sc= 0 K(o=-0.07,f=-0.64) USER MOD Set 3.2: A 47 HIS :FLIP no HE2:sc= -0.0705 F(o=-0.64,f=-0.07) USER MOD Set 4.1: A 38 THR OG1 : rot 116:sc= 0.485 USER MOD Set 4.2: A 40 SER OG : rot 180:sc= 0.157 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc=-0.00802 X(o=-0.008,f=-0.065) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 83:sc= 0.855 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -152:sc= -1.04 (180deg=-1.34) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 98:sc=0.000294 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 133:sc= -0.311 (180deg=-1.46!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot -120:sc= -1.13 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 42:sc= 0.775 USER MOD ----------------------------------------------------------------- ATOM 154 N GLU A 16 10.984 8.835 -9.970 1.00 0.00 N ATOM 155 CA GLU A 16 10.733 7.403 -9.966 1.00 0.00 C ATOM 156 C GLU A 16 10.036 6.990 -8.667 1.00 0.00 C ATOM 157 O GLU A 16 10.657 6.967 -7.606 1.00 0.00 O ATOM 158 CB GLU A 16 12.031 6.618 -10.165 1.00 0.00 C ATOM 159 CG GLU A 16 12.073 5.972 -11.551 1.00 0.00 C ATOM 160 CD GLU A 16 13.516 5.777 -12.021 1.00 0.00 C ATOM 161 OE1 GLU A 16 14.171 6.808 -12.286 1.00 0.00 O ATOM 162 OE2 GLU A 16 13.932 4.601 -12.105 1.00 0.00 O ATOM 0 HA GLU A 16 10.073 7.167 -10.801 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.885 7.284 -10.044 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.116 5.848 -9.398 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.563 5.009 -11.523 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.536 6.597 -12.264 1.00 0.00 H new ATOM 169 N LEU A 17 8.756 6.676 -8.795 1.00 0.00 N ATOM 170 CA LEU A 17 7.968 6.265 -7.645 1.00 0.00 C ATOM 171 C LEU A 17 8.813 5.354 -6.752 1.00 0.00 C ATOM 172 O LEU A 17 9.708 4.662 -7.236 1.00 0.00 O ATOM 173 CB LEU A 17 6.650 5.633 -8.096 1.00 0.00 C ATOM 174 CG LEU A 17 5.783 6.482 -9.027 1.00 0.00 C ATOM 175 CD1 LEU A 17 5.892 7.967 -8.675 1.00 0.00 C ATOM 176 CD2 LEU A 17 6.127 6.214 -10.494 1.00 0.00 C ATOM 0 H LEU A 17 8.244 6.698 -9.677 1.00 0.00 H new ATOM 0 HA LEU A 17 7.690 7.132 -7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.874 4.692 -8.599 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.065 5.389 -7.209 1.00 0.00 H new ATOM 0 HG LEU A 17 4.742 6.192 -8.883 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.266 8.548 -9.352 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.559 8.123 -7.649 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.929 8.289 -8.773 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.496 6.830 -11.134 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.174 6.459 -10.673 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.956 5.162 -10.721 1.00 0.00 H new ATOM 188 N VAL A 18 8.499 5.383 -5.465 1.00 0.00 N ATOM 189 CA VAL A 18 9.219 4.568 -4.501 1.00 0.00 C ATOM 190 C VAL A 18 8.590 3.174 -4.448 1.00 0.00 C ATOM 191 O VAL A 18 7.369 3.038 -4.499 1.00 0.00 O ATOM 192 CB VAL A 18 9.242 5.266 -3.140 1.00 0.00 C ATOM 193 CG1 VAL A 18 7.830 5.667 -2.706 1.00 0.00 C ATOM 194 CG2 VAL A 18 9.911 4.386 -2.083 1.00 0.00 C ATOM 0 H VAL A 18 7.756 5.958 -5.067 1.00 0.00 H new ATOM 0 HA VAL A 18 10.258 4.444 -4.805 1.00 0.00 H new ATOM 0 HB VAL A 18 9.833 6.176 -3.240 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.874 6.161 -1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.403 6.349 -3.441 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.206 4.777 -2.632 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.914 4.906 -1.125 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.360 3.451 -1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.937 4.173 -2.383 1.00 0.00 H new ATOM 204 N ASP A 19 9.453 2.174 -4.345 1.00 0.00 N ATOM 205 CA ASP A 19 8.997 0.796 -4.283 1.00 0.00 C ATOM 206 C ASP A 19 8.518 0.484 -2.864 1.00 0.00 C ATOM 207 O ASP A 19 9.179 0.839 -1.890 1.00 0.00 O ATOM 208 CB ASP A 19 10.130 -0.174 -4.623 1.00 0.00 C ATOM 209 CG ASP A 19 9.712 -1.396 -5.444 1.00 0.00 C ATOM 210 OD1 ASP A 19 8.716 -1.265 -6.189 1.00 0.00 O ATOM 211 OD2 ASP A 19 10.396 -2.433 -5.308 1.00 0.00 O ATOM 0 H ASP A 19 10.465 2.291 -4.303 1.00 0.00 H new ATOM 0 HA ASP A 19 8.189 0.676 -5.005 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.899 0.368 -5.173 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.585 -0.518 -3.694 1.00 0.00 H new ATOM 216 N LEU A 20 7.371 -0.176 -2.793 1.00 0.00 N ATOM 217 CA LEU A 20 6.795 -0.539 -1.510 1.00 0.00 C ATOM 218 C LEU A 20 6.107 -1.900 -1.631 1.00 0.00 C ATOM 219 O LEU A 20 5.643 -2.271 -2.708 1.00 0.00 O ATOM 220 CB LEU A 20 5.875 0.572 -1.001 1.00 0.00 C ATOM 221 CG LEU A 20 6.540 1.924 -0.734 1.00 0.00 C ATOM 222 CD1 LEU A 20 5.500 2.982 -0.358 1.00 0.00 C ATOM 223 CD2 LEU A 20 7.636 1.796 0.325 1.00 0.00 C ATOM 0 H LEU A 20 6.825 -0.469 -3.604 1.00 0.00 H new ATOM 0 HA LEU A 20 7.577 -0.642 -0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.078 0.719 -1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.404 0.233 -0.078 1.00 0.00 H new ATOM 0 HG LEU A 20 7.019 2.257 -1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.999 3.933 -0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.788 3.098 -1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.972 2.669 0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.092 2.771 0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.202 1.430 1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.396 1.095 -0.021 1.00 0.00 H new ATOM 235 N LYS A 21 6.062 -2.607 -0.512 1.00 0.00 N ATOM 236 CA LYS A 21 5.438 -3.919 -0.479 1.00 0.00 C ATOM 237 C LYS A 21 4.117 -3.832 0.289 1.00 0.00 C ATOM 238 O LYS A 21 4.110 -3.557 1.488 1.00 0.00 O ATOM 239 CB LYS A 21 6.408 -4.960 0.082 1.00 0.00 C ATOM 240 CG LYS A 21 7.197 -5.636 -1.042 1.00 0.00 C ATOM 241 CD LYS A 21 8.695 -5.645 -0.732 1.00 0.00 C ATOM 242 CE LYS A 21 9.273 -7.056 -0.861 1.00 0.00 C ATOM 243 NZ LYS A 21 9.684 -7.571 0.464 1.00 0.00 N ATOM 0 H LYS A 21 6.448 -2.296 0.380 1.00 0.00 H new ATOM 0 HA LYS A 21 5.199 -4.252 -1.489 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.097 -4.482 0.778 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.855 -5.711 0.646 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.843 -6.658 -1.175 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.020 -5.112 -1.981 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.215 -4.971 -1.413 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.863 -5.270 0.278 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.530 -7.721 -1.302 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.130 -7.044 -1.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.074 -8.529 0.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.409 -6.945 0.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.859 -7.601 1.096 1.00 0.00 H new ATOM 257 N ILE A 22 3.033 -4.072 -0.433 1.00 0.00 N ATOM 258 CA ILE A 22 1.710 -4.024 0.166 1.00 0.00 C ATOM 259 C ILE A 22 1.444 -5.334 0.910 1.00 0.00 C ATOM 260 O ILE A 22 0.912 -6.282 0.335 1.00 0.00 O ATOM 261 CB ILE A 22 0.655 -3.692 -0.891 1.00 0.00 C ATOM 262 CG1 ILE A 22 1.133 -2.565 -1.809 1.00 0.00 C ATOM 263 CG2 ILE A 22 -0.691 -3.368 -0.239 1.00 0.00 C ATOM 264 CD1 ILE A 22 1.280 -1.253 -1.035 1.00 0.00 C ATOM 0 H ILE A 22 3.043 -4.300 -1.427 1.00 0.00 H new ATOM 0 HA ILE A 22 1.654 -3.222 0.902 1.00 0.00 H new ATOM 0 HB ILE A 22 0.507 -4.574 -1.514 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.089 -2.836 -2.257 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.425 -2.432 -2.627 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.423 -3.136 -1.012 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.032 -4.228 0.337 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.577 -2.509 0.423 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.621 -0.468 -1.710 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.317 -0.972 -0.609 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.007 -1.383 -0.233 1.00 0.00 H new ATOM 276 N ILE A 23 1.827 -5.346 2.179 1.00 0.00 N ATOM 277 CA ILE A 23 1.637 -6.524 3.007 1.00 0.00 C ATOM 278 C ILE A 23 0.164 -6.627 3.409 1.00 0.00 C ATOM 279 O ILE A 23 -0.458 -5.628 3.766 1.00 0.00 O ATOM 280 CB ILE A 23 2.598 -6.503 4.197 1.00 0.00 C ATOM 281 CG1 ILE A 23 4.032 -6.226 3.739 1.00 0.00 C ATOM 282 CG2 ILE A 23 2.496 -7.797 5.007 1.00 0.00 C ATOM 283 CD1 ILE A 23 4.572 -7.383 2.896 1.00 0.00 C ATOM 0 H ILE A 23 2.268 -4.558 2.653 1.00 0.00 H new ATOM 0 HA ILE A 23 1.880 -7.427 2.446 1.00 0.00 H new ATOM 0 HB ILE A 23 2.307 -5.686 4.857 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.060 -5.304 3.158 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.672 -6.075 4.608 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.189 -7.756 5.847 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.479 -7.913 5.381 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.747 -8.645 4.370 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.592 -7.160 2.584 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.565 -8.298 3.488 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.944 -7.516 2.015 1.00 0.00 H new ATOM 295 N TRP A 24 -0.352 -7.846 3.337 1.00 0.00 N ATOM 296 CA TRP A 24 -1.740 -8.093 3.689 1.00 0.00 C ATOM 297 C TRP A 24 -1.947 -9.607 3.763 1.00 0.00 C ATOM 298 O TRP A 24 -1.876 -10.297 2.748 1.00 0.00 O ATOM 299 CB TRP A 24 -2.686 -7.408 2.701 1.00 0.00 C ATOM 300 CG TRP A 24 -4.167 -7.540 3.063 1.00 0.00 C ATOM 301 CD1 TRP A 24 -4.702 -7.817 4.260 1.00 0.00 C ATOM 302 CD2 TRP A 24 -5.288 -7.390 2.167 1.00 0.00 C ATOM 303 NE1 TRP A 24 -6.080 -7.855 4.201 1.00 0.00 N ATOM 304 CE2 TRP A 24 -6.448 -7.587 2.888 1.00 0.00 C ATOM 305 CE3 TRP A 24 -5.321 -7.096 0.792 1.00 0.00 C ATOM 306 CZ2 TRP A 24 -7.725 -7.513 2.320 1.00 0.00 C ATOM 307 CZ3 TRP A 24 -6.605 -7.025 0.240 1.00 0.00 C ATOM 308 CH2 TRP A 24 -7.783 -7.222 0.952 1.00 0.00 C ATOM 0 H TRP A 24 0.166 -8.673 3.040 1.00 0.00 H new ATOM 0 HA TRP A 24 -1.974 -7.662 4.662 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -2.430 -6.350 2.643 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -2.526 -7.830 1.709 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -4.127 -7.989 5.158 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -6.712 -8.045 4.978 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.426 -6.938 0.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -8.618 -7.672 2.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.687 -6.801 -0.813 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -8.738 -7.151 0.452 1.00 0.00 H new ATOM 319 N ASN A 25 -2.198 -10.079 4.976 1.00 0.00 N ATOM 320 CA ASN A 25 -2.416 -11.498 5.196 1.00 0.00 C ATOM 321 C ASN A 25 -1.091 -12.244 5.031 1.00 0.00 C ATOM 322 O ASN A 25 -0.588 -12.841 5.982 1.00 0.00 O ATOM 323 CB ASN A 25 -3.408 -12.067 4.180 1.00 0.00 C ATOM 324 CG ASN A 25 -4.611 -12.701 4.883 1.00 0.00 C ATOM 325 OD1 ASN A 25 -4.479 -13.540 5.759 1.00 0.00 O ATOM 326 ND2 ASN A 25 -5.786 -12.253 4.452 1.00 0.00 N ATOM 0 H ASN A 25 -2.255 -9.503 5.816 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.817 -11.626 6.202 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.748 -11.273 3.515 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.911 -12.812 3.559 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.649 -12.613 4.859 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.824 -11.549 3.715 1.00 0.00 H new ATOM 333 N LYS A 26 -0.562 -12.187 3.817 1.00 0.00 N ATOM 334 CA LYS A 26 0.695 -12.849 3.516 1.00 0.00 C ATOM 335 C LYS A 26 0.998 -12.705 2.023 1.00 0.00 C ATOM 336 O LYS A 26 1.478 -13.643 1.390 1.00 0.00 O ATOM 337 CB LYS A 26 0.665 -14.301 3.999 1.00 0.00 C ATOM 338 CG LYS A 26 1.391 -14.448 5.338 1.00 0.00 C ATOM 339 CD LYS A 26 2.763 -15.098 5.150 1.00 0.00 C ATOM 340 CE LYS A 26 2.880 -16.380 5.977 1.00 0.00 C ATOM 341 NZ LYS A 26 3.578 -17.433 5.205 1.00 0.00 N ATOM 0 H LYS A 26 -0.982 -11.692 3.030 1.00 0.00 H new ATOM 0 HA LYS A 26 1.514 -12.374 4.056 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.368 -14.632 4.103 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.133 -14.945 3.255 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.509 -13.468 5.801 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.789 -15.051 6.018 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.920 -15.325 4.096 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.545 -14.398 5.445 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.424 -16.176 6.900 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.887 -16.728 6.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.649 -18.296 5.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.044 -17.639 4.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.532 -17.105 4.954 1.00 0.00 H new ATOM 355 N THR A 27 0.705 -11.521 1.505 1.00 0.00 N ATOM 356 CA THR A 27 0.941 -11.241 0.099 1.00 0.00 C ATOM 357 C THR A 27 1.900 -10.059 -0.057 1.00 0.00 C ATOM 358 O THR A 27 2.019 -9.230 0.843 1.00 0.00 O ATOM 359 CB THR A 27 -0.416 -11.015 -0.572 1.00 0.00 C ATOM 360 OG1 THR A 27 -1.348 -11.628 0.315 1.00 0.00 O ATOM 361 CG2 THR A 27 -0.565 -11.806 -1.873 1.00 0.00 C ATOM 0 H THR A 27 0.306 -10.745 2.034 1.00 0.00 H new ATOM 0 HA THR A 27 1.429 -12.081 -0.395 1.00 0.00 H new ATOM 0 HB THR A 27 -0.547 -9.952 -0.776 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.567 -11.006 1.040 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.545 -11.610 -2.308 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.211 -11.501 -2.575 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.467 -12.871 -1.664 1.00 0.00 H new ATOM 369 N LYS A 28 2.559 -10.020 -1.206 1.00 0.00 N ATOM 370 CA LYS A 28 3.503 -8.954 -1.491 1.00 0.00 C ATOM 371 C LYS A 28 3.211 -8.377 -2.877 1.00 0.00 C ATOM 372 O LYS A 28 3.626 -8.942 -3.888 1.00 0.00 O ATOM 373 CB LYS A 28 4.940 -9.452 -1.322 1.00 0.00 C ATOM 374 CG LYS A 28 5.316 -10.430 -2.436 1.00 0.00 C ATOM 375 CD LYS A 28 6.507 -11.299 -2.024 1.00 0.00 C ATOM 376 CE LYS A 28 7.766 -10.906 -2.800 1.00 0.00 C ATOM 377 NZ LYS A 28 8.955 -10.965 -1.921 1.00 0.00 N ATOM 0 H LYS A 28 2.457 -10.710 -1.950 1.00 0.00 H new ATOM 0 HA LYS A 28 3.386 -8.140 -0.776 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.626 -8.605 -1.330 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.048 -9.940 -0.353 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.462 -11.065 -2.671 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.561 -9.877 -3.343 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.687 -11.193 -0.954 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.276 -12.349 -2.206 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.901 -11.575 -3.650 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.653 -9.899 -3.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.801 -10.696 -2.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.831 -10.308 -1.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.070 -11.933 -1.558 1.00 0.00 H new ATOM 391 N HIS A 29 2.500 -7.259 -2.880 1.00 0.00 N ATOM 392 CA HIS A 29 2.148 -6.600 -4.126 1.00 0.00 C ATOM 393 C HIS A 29 3.120 -5.448 -4.390 1.00 0.00 C ATOM 394 O HIS A 29 3.047 -4.408 -3.737 1.00 0.00 O ATOM 395 CB HIS A 29 0.686 -6.149 -4.108 1.00 0.00 C ATOM 396 CG HIS A 29 -0.293 -7.253 -3.788 1.00 0.00 C ATOM 397 ND1 HIS A 29 -0.370 -8.423 -4.523 1.00 0.00 N ATOM 398 CD2 HIS A 29 -1.233 -7.354 -2.804 1.00 0.00 C ATOM 399 CE1 HIS A 29 -1.318 -9.186 -3.997 1.00 0.00 C ATOM 400 NE2 HIS A 29 -1.852 -8.521 -2.933 1.00 0.00 N ATOM 0 H HIS A 29 2.158 -6.793 -2.039 1.00 0.00 H new ATOM 0 HA HIS A 29 2.241 -7.305 -4.953 1.00 0.00 H new ATOM 0 HB2 HIS A 29 0.571 -5.352 -3.374 1.00 0.00 H new ATOM 0 HB3 HIS A 29 0.435 -5.725 -5.080 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.438 -6.610 -2.048 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.615 -10.163 -4.349 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -2.604 -8.864 -2.335 1.00 0.00 H new ATOM 408 N ASP A 30 4.008 -5.672 -5.347 1.00 0.00 N ATOM 409 CA ASP A 30 4.993 -4.666 -5.705 1.00 0.00 C ATOM 410 C ASP A 30 4.293 -3.498 -6.402 1.00 0.00 C ATOM 411 O ASP A 30 3.788 -3.646 -7.513 1.00 0.00 O ATOM 412 CB ASP A 30 6.036 -5.235 -6.669 1.00 0.00 C ATOM 413 CG ASP A 30 5.484 -6.193 -7.727 1.00 0.00 C ATOM 414 OD1 ASP A 30 4.929 -7.234 -7.315 1.00 0.00 O ATOM 415 OD2 ASP A 30 5.630 -5.862 -8.923 1.00 0.00 O ATOM 0 H ASP A 30 4.066 -6.536 -5.886 1.00 0.00 H new ATOM 0 HA ASP A 30 5.488 -4.338 -4.791 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.532 -4.406 -7.174 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.798 -5.757 -6.090 1.00 0.00 H new ATOM 420 N VAL A 31 4.285 -2.362 -5.719 1.00 0.00 N ATOM 421 CA VAL A 31 3.655 -1.169 -6.259 1.00 0.00 C ATOM 422 C VAL A 31 4.611 0.017 -6.113 1.00 0.00 C ATOM 423 O VAL A 31 5.332 0.120 -5.122 1.00 0.00 O ATOM 424 CB VAL A 31 2.305 -0.937 -5.578 1.00 0.00 C ATOM 425 CG1 VAL A 31 1.256 -1.927 -6.087 1.00 0.00 C ATOM 426 CG2 VAL A 31 2.439 -1.014 -4.055 1.00 0.00 C ATOM 0 H VAL A 31 4.705 -2.243 -4.797 1.00 0.00 H new ATOM 0 HA VAL A 31 3.450 -1.292 -7.322 1.00 0.00 H new ATOM 0 HB VAL A 31 1.969 0.068 -5.835 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.306 -1.740 -5.587 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.130 -1.803 -7.163 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.583 -2.945 -5.875 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.465 -0.846 -3.595 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.809 -2.000 -3.772 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.139 -0.252 -3.712 1.00 0.00 H new ATOM 436 N LYS A 32 4.585 0.883 -7.116 1.00 0.00 N ATOM 437 CA LYS A 32 5.440 2.058 -7.112 1.00 0.00 C ATOM 438 C LYS A 32 4.581 3.307 -6.907 1.00 0.00 C ATOM 439 O LYS A 32 3.719 3.614 -7.729 1.00 0.00 O ATOM 440 CB LYS A 32 6.297 2.101 -8.378 1.00 0.00 C ATOM 441 CG LYS A 32 5.485 2.606 -9.573 1.00 0.00 C ATOM 442 CD LYS A 32 6.142 2.200 -10.894 1.00 0.00 C ATOM 443 CE LYS A 32 5.206 2.462 -12.075 1.00 0.00 C ATOM 444 NZ LYS A 32 5.485 1.515 -13.177 1.00 0.00 N ATOM 0 H LYS A 32 3.986 0.794 -7.936 1.00 0.00 H new ATOM 0 HA LYS A 32 6.144 2.015 -6.281 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.157 2.751 -8.217 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.686 1.105 -8.592 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.474 2.202 -9.527 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.397 3.691 -9.525 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.069 2.757 -11.030 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.407 1.143 -10.863 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.169 2.361 -11.754 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.332 3.486 -12.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.841 1.707 -13.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.469 1.631 -13.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.342 0.541 -12.842 1.00 0.00 H new ATOM 458 N VAL A 33 4.847 3.995 -5.806 1.00 0.00 N ATOM 459 CA VAL A 33 4.109 5.205 -5.483 1.00 0.00 C ATOM 460 C VAL A 33 5.096 6.332 -5.174 1.00 0.00 C ATOM 461 O VAL A 33 6.218 6.077 -4.738 1.00 0.00 O ATOM 462 CB VAL A 33 3.134 4.932 -4.336 1.00 0.00 C ATOM 463 CG1 VAL A 33 2.320 3.664 -4.598 1.00 0.00 C ATOM 464 CG2 VAL A 33 3.872 4.844 -2.999 1.00 0.00 C ATOM 0 H VAL A 33 5.563 3.738 -5.127 1.00 0.00 H new ATOM 0 HA VAL A 33 3.507 5.525 -6.334 1.00 0.00 H new ATOM 0 HB VAL A 33 2.439 5.770 -4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.635 3.493 -3.767 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.750 3.781 -5.520 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.994 2.812 -4.694 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.156 4.649 -2.200 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.601 4.034 -3.038 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.386 5.785 -2.804 1.00 0.00 H new ATOM 474 N PRO A 34 4.631 7.586 -5.419 1.00 0.00 N ATOM 475 CA PRO A 34 5.461 8.753 -5.171 1.00 0.00 C ATOM 476 C PRO A 34 5.562 9.046 -3.673 1.00 0.00 C ATOM 477 O PRO A 34 4.610 8.822 -2.927 1.00 0.00 O ATOM 478 CB PRO A 34 4.801 9.878 -5.952 1.00 0.00 C ATOM 479 CG PRO A 34 3.379 9.415 -6.228 1.00 0.00 C ATOM 480 CD PRO A 34 3.309 7.925 -5.936 1.00 0.00 C ATOM 0 HA PRO A 34 6.492 8.612 -5.495 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.806 10.806 -5.380 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.335 10.074 -6.882 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.672 9.960 -5.603 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.107 9.614 -7.265 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.530 7.700 -5.208 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.078 7.356 -6.836 1.00 0.00 H new ATOM 488 N LEU A 35 6.725 9.542 -3.277 1.00 0.00 N ATOM 489 CA LEU A 35 6.964 9.868 -1.881 1.00 0.00 C ATOM 490 C LEU A 35 6.214 11.153 -1.526 1.00 0.00 C ATOM 491 O LEU A 35 6.077 11.492 -0.352 1.00 0.00 O ATOM 492 CB LEU A 35 8.465 9.933 -1.595 1.00 0.00 C ATOM 493 CG LEU A 35 8.939 9.215 -0.330 1.00 0.00 C ATOM 494 CD1 LEU A 35 8.645 7.715 -0.408 1.00 0.00 C ATOM 495 CD2 LEU A 35 10.419 9.495 -0.061 1.00 0.00 C ATOM 0 H LEU A 35 7.512 9.726 -3.899 1.00 0.00 H new ATOM 0 HA LEU A 35 6.574 9.082 -1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.996 9.511 -2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.756 10.981 -1.525 1.00 0.00 H new ATOM 0 HG LEU A 35 8.378 9.610 0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.992 7.228 0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.572 7.560 -0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.162 7.287 -1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.730 8.973 0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.015 9.146 -0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.569 10.567 0.069 1.00 0.00 H new ATOM 507 N ASP A 36 5.748 11.834 -2.563 1.00 0.00 N ATOM 508 CA ASP A 36 5.016 13.075 -2.376 1.00 0.00 C ATOM 509 C ASP A 36 3.612 12.760 -1.856 1.00 0.00 C ATOM 510 O ASP A 36 2.917 13.644 -1.358 1.00 0.00 O ATOM 511 CB ASP A 36 4.871 13.834 -3.696 1.00 0.00 C ATOM 512 CG ASP A 36 4.776 15.355 -3.560 1.00 0.00 C ATOM 513 OD1 ASP A 36 5.341 15.873 -2.573 1.00 0.00 O ATOM 514 OD2 ASP A 36 4.141 15.966 -4.447 1.00 0.00 O ATOM 0 H ASP A 36 5.863 11.549 -3.536 1.00 0.00 H new ATOM 0 HA ASP A 36 5.570 13.689 -1.666 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.723 13.594 -4.332 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.979 13.474 -4.209 1.00 0.00 H new ATOM 519 N SER A 37 3.236 11.496 -1.989 1.00 0.00 N ATOM 520 CA SER A 37 1.927 11.053 -1.539 1.00 0.00 C ATOM 521 C SER A 37 1.776 11.309 -0.038 1.00 0.00 C ATOM 522 O SER A 37 2.745 11.213 0.712 1.00 0.00 O ATOM 523 CB SER A 37 1.710 9.571 -1.849 1.00 0.00 C ATOM 524 OG SER A 37 0.992 9.379 -3.065 1.00 0.00 O ATOM 0 H SER A 37 3.815 10.765 -2.402 1.00 0.00 H new ATOM 0 HA SER A 37 1.169 11.623 -2.077 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.675 9.069 -1.915 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.164 9.105 -1.028 1.00 0.00 H new ATOM 0 HG SER A 37 0.876 8.420 -3.228 1.00 0.00 H new ATOM 530 N THR A 38 0.552 11.630 0.354 1.00 0.00 N ATOM 531 CA THR A 38 0.261 11.900 1.752 1.00 0.00 C ATOM 532 C THR A 38 -0.114 10.607 2.479 1.00 0.00 C ATOM 533 O THR A 38 -0.759 9.732 1.903 1.00 0.00 O ATOM 534 CB THR A 38 -0.833 12.968 1.810 1.00 0.00 C ATOM 535 OG1 THR A 38 -2.020 12.270 1.442 1.00 0.00 O ATOM 536 CG2 THR A 38 -0.672 14.030 0.720 1.00 0.00 C ATOM 0 H THR A 38 -0.250 11.709 -0.272 1.00 0.00 H new ATOM 0 HA THR A 38 1.139 12.285 2.271 1.00 0.00 H new ATOM 0 HB THR A 38 -0.821 13.447 2.789 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.642 12.261 2.199 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.474 14.764 0.806 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.290 14.528 0.837 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.718 13.555 -0.260 1.00 0.00 H new ATOM 544 N GLY A 39 0.306 10.527 3.733 1.00 0.00 N ATOM 545 CA GLY A 39 0.023 9.355 4.544 1.00 0.00 C ATOM 546 C GLY A 39 -1.429 8.905 4.368 1.00 0.00 C ATOM 547 O GLY A 39 -1.746 7.732 4.558 1.00 0.00 O ATOM 0 H GLY A 39 0.840 11.255 4.207 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.695 8.544 4.265 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.213 9.580 5.593 1.00 0.00 H new ATOM 551 N SER A 40 -2.272 9.861 4.005 1.00 0.00 N ATOM 552 CA SER A 40 -3.682 9.577 3.801 1.00 0.00 C ATOM 553 C SER A 40 -3.881 8.841 2.475 1.00 0.00 C ATOM 554 O SER A 40 -4.618 7.858 2.410 1.00 0.00 O ATOM 555 CB SER A 40 -4.512 10.862 3.825 1.00 0.00 C ATOM 556 OG SER A 40 -4.546 11.499 2.551 1.00 0.00 O ATOM 0 H SER A 40 -2.005 10.833 3.847 1.00 0.00 H new ATOM 0 HA SER A 40 -4.024 8.941 4.617 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.529 10.631 4.142 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.096 11.548 4.563 1.00 0.00 H new ATOM 0 HG SER A 40 -5.087 12.314 2.607 1.00 0.00 H new ATOM 562 N GLU A 41 -3.212 9.346 1.449 1.00 0.00 N ATOM 563 CA GLU A 41 -3.306 8.749 0.127 1.00 0.00 C ATOM 564 C GLU A 41 -2.993 7.253 0.197 1.00 0.00 C ATOM 565 O GLU A 41 -3.611 6.452 -0.503 1.00 0.00 O ATOM 566 CB GLU A 41 -2.379 9.458 -0.862 1.00 0.00 C ATOM 567 CG GLU A 41 -3.128 10.549 -1.630 1.00 0.00 C ATOM 568 CD GLU A 41 -2.554 10.720 -3.038 1.00 0.00 C ATOM 569 OE1 GLU A 41 -3.049 10.014 -3.943 1.00 0.00 O ATOM 570 OE2 GLU A 41 -1.633 11.554 -3.178 1.00 0.00 O ATOM 0 H GLU A 41 -2.603 10.162 1.506 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.328 8.870 -0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.538 9.898 -0.326 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.966 8.733 -1.563 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.186 10.294 -1.693 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.060 11.492 -1.088 1.00 0.00 H new ATOM 577 N LEU A 42 -2.033 6.921 1.048 1.00 0.00 N ATOM 578 CA LEU A 42 -1.630 5.535 1.218 1.00 0.00 C ATOM 579 C LEU A 42 -2.873 4.642 1.206 1.00 0.00 C ATOM 580 O LEU A 42 -2.934 3.668 0.457 1.00 0.00 O ATOM 581 CB LEU A 42 -0.772 5.377 2.475 1.00 0.00 C ATOM 582 CG LEU A 42 0.741 5.461 2.269 1.00 0.00 C ATOM 583 CD1 LEU A 42 1.462 5.713 3.594 1.00 0.00 C ATOM 584 CD2 LEU A 42 1.268 4.212 1.559 1.00 0.00 C ATOM 0 H LEU A 42 -1.523 7.588 1.627 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.000 5.217 0.387 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.065 6.146 3.190 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.004 4.414 2.930 1.00 0.00 H new ATOM 0 HG LEU A 42 0.950 6.313 1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.536 5.768 3.419 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.116 6.653 4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.249 4.898 4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.346 4.297 1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.046 3.331 2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.788 4.117 0.585 1.00 0.00 H new ATOM 596 N LYS A 43 -3.832 5.006 2.044 1.00 0.00 N ATOM 597 CA LYS A 43 -5.069 4.250 2.138 1.00 0.00 C ATOM 598 C LYS A 43 -5.606 3.980 0.731 1.00 0.00 C ATOM 599 O LYS A 43 -5.759 2.827 0.331 1.00 0.00 O ATOM 600 CB LYS A 43 -6.067 4.967 3.050 1.00 0.00 C ATOM 601 CG LYS A 43 -5.744 4.712 4.524 1.00 0.00 C ATOM 602 CD LYS A 43 -4.482 5.466 4.947 1.00 0.00 C ATOM 603 CE LYS A 43 -4.279 5.390 6.461 1.00 0.00 C ATOM 604 NZ LYS A 43 -4.477 6.720 7.079 1.00 0.00 N ATOM 0 H LYS A 43 -3.778 5.814 2.664 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.888 3.280 2.602 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.044 6.038 2.849 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.078 4.623 2.831 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.584 5.026 5.144 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.607 3.644 4.690 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.615 5.044 4.439 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.557 6.509 4.638 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.979 4.675 6.892 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.275 5.026 6.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.910 6.787 7.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.178 7.460 6.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.483 6.849 7.311 1.00 0.00 H new ATOM 618 N GLN A 44 -5.878 5.064 0.018 1.00 0.00 N ATOM 619 CA GLN A 44 -6.394 4.959 -1.336 1.00 0.00 C ATOM 620 C GLN A 44 -5.356 4.307 -2.251 1.00 0.00 C ATOM 621 O GLN A 44 -5.695 3.798 -3.318 1.00 0.00 O ATOM 622 CB GLN A 44 -6.814 6.329 -1.870 1.00 0.00 C ATOM 623 CG GLN A 44 -8.332 6.506 -1.796 1.00 0.00 C ATOM 624 CD GLN A 44 -8.953 6.510 -3.194 1.00 0.00 C ATOM 625 OE1 GLN A 44 -9.188 5.477 -3.799 1.00 0.00 O ATOM 626 NE2 GLN A 44 -9.205 7.725 -3.671 1.00 0.00 N ATOM 0 H GLN A 44 -5.751 6.019 0.353 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.281 4.326 -1.318 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.325 7.114 -1.293 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.482 6.438 -2.902 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.767 5.701 -1.203 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -8.568 7.440 -1.287 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.983 8.549 -3.112 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.620 7.834 -4.596 1.00 0.00 H new ATOM 635 N LYS A 45 -4.110 4.345 -1.800 1.00 0.00 N ATOM 636 CA LYS A 45 -3.020 3.765 -2.566 1.00 0.00 C ATOM 637 C LYS A 45 -2.996 2.251 -2.345 1.00 0.00 C ATOM 638 O LYS A 45 -2.586 1.498 -3.227 1.00 0.00 O ATOM 639 CB LYS A 45 -1.698 4.457 -2.224 1.00 0.00 C ATOM 640 CG LYS A 45 -1.027 5.009 -3.483 1.00 0.00 C ATOM 641 CD LYS A 45 -1.986 5.908 -4.266 1.00 0.00 C ATOM 642 CE LYS A 45 -2.210 5.369 -5.681 1.00 0.00 C ATOM 643 NZ LYS A 45 -1.360 6.093 -6.652 1.00 0.00 N ATOM 0 H LYS A 45 -3.832 4.768 -0.915 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.174 3.930 -3.632 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.880 5.268 -1.519 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.030 3.750 -1.732 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.137 5.574 -3.207 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.698 4.184 -4.115 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.940 5.972 -3.742 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.582 6.919 -4.318 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.981 4.304 -5.711 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.259 5.477 -5.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.524 5.715 -7.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.598 7.105 -6.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.359 5.968 -6.398 1.00 0.00 H new ATOM 657 N ILE A 46 -3.443 1.851 -1.164 1.00 0.00 N ATOM 658 CA ILE A 46 -3.478 0.440 -0.816 1.00 0.00 C ATOM 659 C ILE A 46 -4.847 -0.137 -1.184 1.00 0.00 C ATOM 660 O ILE A 46 -4.944 -1.283 -1.619 1.00 0.00 O ATOM 661 CB ILE A 46 -3.102 0.241 0.653 1.00 0.00 C ATOM 662 CG1 ILE A 46 -1.880 1.083 1.025 1.00 0.00 C ATOM 663 CG2 ILE A 46 -2.893 -1.242 0.969 1.00 0.00 C ATOM 664 CD1 ILE A 46 -2.104 1.820 2.348 1.00 0.00 C ATOM 0 H ILE A 46 -3.784 2.479 -0.436 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.733 -0.113 -1.389 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.932 0.588 1.268 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.003 0.441 1.106 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.676 1.804 0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.627 -1.356 2.020 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.813 -1.790 0.766 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.090 -1.637 0.346 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.221 2.411 2.589 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.967 2.479 2.256 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.284 1.095 3.142 1.00 0.00 H new ATOM 676 N HIS A 47 -5.870 0.684 -0.996 1.00 0.00 N ATOM 677 CA HIS A 47 -7.228 0.270 -1.302 1.00 0.00 C ATOM 678 C HIS A 47 -7.379 0.082 -2.813 1.00 0.00 C ATOM 679 O HIS A 47 -8.184 -0.732 -3.264 1.00 0.00 O ATOM 680 CB HIS A 47 -8.242 1.259 -0.724 1.00 0.00 C ATOM 681 CG HIS A 47 -9.421 1.529 -1.628 1.00 0.00 C ATOM 682 ND1 HIS A 47 -10.391 0.695 -2.100 1.00 0.00 N flip ATOM 683 CD2 HIS A 47 -9.696 2.782 -2.147 1.00 0.00 C flip ATOM 684 CE1 HIS A 47 -11.216 1.401 -2.865 1.00 0.00 C flip ATOM 685 NE2 HIS A 47 -10.786 2.695 -2.896 1.00 0.00 N flip ATOM 0 H HIS A 47 -5.785 1.634 -0.635 1.00 0.00 H new ATOM 0 HA HIS A 47 -7.434 -0.690 -0.828 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -8.608 0.874 0.228 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -7.736 2.201 -0.513 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -10.470 -0.302 -1.900 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -9.120 3.679 -1.972 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -12.084 1.014 -3.378 1.00 0.00 H new ATOM 693 N SER A 48 -6.591 0.847 -3.554 1.00 0.00 N ATOM 694 CA SER A 48 -6.627 0.775 -5.005 1.00 0.00 C ATOM 695 C SER A 48 -6.046 -0.559 -5.477 1.00 0.00 C ATOM 696 O SER A 48 -6.175 -0.917 -6.647 1.00 0.00 O ATOM 697 CB SER A 48 -5.859 1.940 -5.633 1.00 0.00 C ATOM 698 OG SER A 48 -6.733 2.962 -6.106 1.00 0.00 O ATOM 0 H SER A 48 -5.924 1.520 -3.177 1.00 0.00 H new ATOM 0 HA SER A 48 -7.666 0.845 -5.325 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.173 2.361 -4.897 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.252 1.571 -6.460 1.00 0.00 H new ATOM 0 HG SER A 48 -6.794 3.676 -5.437 1.00 0.00 H new ATOM 704 N ILE A 49 -5.418 -1.258 -4.543 1.00 0.00 N ATOM 705 CA ILE A 49 -4.817 -2.545 -4.849 1.00 0.00 C ATOM 706 C ILE A 49 -5.560 -3.644 -4.087 1.00 0.00 C ATOM 707 O ILE A 49 -6.128 -4.550 -4.695 1.00 0.00 O ATOM 708 CB ILE A 49 -3.313 -2.513 -4.571 1.00 0.00 C ATOM 709 CG1 ILE A 49 -2.747 -1.106 -4.772 1.00 0.00 C ATOM 710 CG2 ILE A 49 -2.576 -3.553 -5.418 1.00 0.00 C ATOM 711 CD1 ILE A 49 -1.259 -1.058 -4.420 1.00 0.00 C ATOM 0 H ILE A 49 -5.312 -0.957 -3.574 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.917 -2.770 -5.911 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.154 -2.777 -3.526 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.889 -0.797 -5.808 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.294 -0.398 -4.150 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.509 -3.509 -5.201 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.954 -4.548 -5.182 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.740 -3.344 -6.475 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.882 -0.047 -4.572 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.122 -1.344 -3.377 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.711 -1.749 -5.060 1.00 0.00 H new ATOM 723 N THR A 50 -5.532 -3.528 -2.767 1.00 0.00 N ATOM 724 CA THR A 50 -6.196 -4.501 -1.916 1.00 0.00 C ATOM 725 C THR A 50 -7.647 -4.696 -2.361 1.00 0.00 C ATOM 726 O THR A 50 -8.176 -5.804 -2.296 1.00 0.00 O ATOM 727 CB THR A 50 -6.063 -4.030 -0.467 1.00 0.00 C ATOM 728 OG1 THR A 50 -6.525 -2.682 -0.495 1.00 0.00 O ATOM 729 CG2 THR A 50 -4.604 -3.913 -0.021 1.00 0.00 C ATOM 0 H THR A 50 -5.060 -2.775 -2.266 1.00 0.00 H new ATOM 0 HA THR A 50 -5.729 -5.483 -1.998 1.00 0.00 H new ATOM 0 HB THR A 50 -6.590 -4.723 0.189 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.796 -2.092 -0.780 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.566 -3.575 1.015 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.119 -4.886 -0.103 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.086 -3.195 -0.656 1.00 0.00 H new ATOM 737 N GLY A 51 -8.249 -3.601 -2.802 1.00 0.00 N ATOM 738 CA GLY A 51 -9.629 -3.638 -3.257 1.00 0.00 C ATOM 739 C GLY A 51 -10.597 -3.427 -2.090 1.00 0.00 C ATOM 740 O GLY A 51 -11.736 -3.010 -2.292 1.00 0.00 O ATOM 0 H GLY A 51 -7.807 -2.683 -2.854 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.788 -2.866 -4.010 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.833 -4.596 -3.734 1.00 0.00 H new ATOM 744 N LEU A 52 -10.107 -3.726 -0.896 1.00 0.00 N ATOM 745 CA LEU A 52 -10.914 -3.575 0.303 1.00 0.00 C ATOM 746 C LEU A 52 -11.015 -2.091 0.661 1.00 0.00 C ATOM 747 O LEU A 52 -10.289 -1.265 0.110 1.00 0.00 O ATOM 748 CB LEU A 52 -10.362 -4.444 1.434 1.00 0.00 C ATOM 749 CG LEU A 52 -9.494 -3.727 2.469 1.00 0.00 C ATOM 750 CD1 LEU A 52 -9.722 -4.301 3.869 1.00 0.00 C ATOM 751 CD2 LEU A 52 -8.018 -3.764 2.067 1.00 0.00 C ATOM 0 H LEU A 52 -9.161 -4.072 -0.733 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.929 -3.931 0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.202 -4.908 1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.775 -5.250 0.993 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.793 -2.679 2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.093 -3.773 4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.769 -4.178 4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.467 -5.361 3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.423 -3.247 2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.687 -4.800 1.991 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.891 -3.271 1.103 1.00 0.00 H new ATOM 763 N PRO A 53 -11.945 -1.789 1.607 1.00 0.00 N ATOM 764 CA PRO A 53 -12.149 -0.419 2.045 1.00 0.00 C ATOM 765 C PRO A 53 -11.015 0.037 2.965 1.00 0.00 C ATOM 766 O PRO A 53 -10.450 -0.766 3.706 1.00 0.00 O ATOM 767 CB PRO A 53 -13.505 -0.424 2.732 1.00 0.00 C ATOM 768 CG PRO A 53 -13.799 -1.878 3.063 1.00 0.00 C ATOM 769 CD PRO A 53 -12.822 -2.741 2.281 1.00 0.00 C ATOM 0 HA PRO A 53 -12.138 0.293 1.220 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -13.488 0.186 3.635 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -14.274 -0.008 2.081 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -13.692 -2.055 4.133 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -14.826 -2.129 2.799 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -12.258 -3.399 2.942 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -13.341 -3.377 1.564 1.00 0.00 H new ATOM 777 N PRO A 54 -10.708 1.360 2.886 1.00 0.00 N ATOM 778 CA PRO A 54 -9.651 1.933 3.702 1.00 0.00 C ATOM 779 C PRO A 54 -10.105 2.090 5.155 1.00 0.00 C ATOM 780 O PRO A 54 -9.295 1.995 6.076 1.00 0.00 O ATOM 781 CB PRO A 54 -9.316 3.258 3.038 1.00 0.00 C ATOM 782 CG PRO A 54 -10.506 3.594 2.153 1.00 0.00 C ATOM 783 CD PRO A 54 -11.356 2.341 2.020 1.00 0.00 C ATOM 0 HA PRO A 54 -8.768 1.296 3.756 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.151 4.037 3.782 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.402 3.180 2.450 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.088 4.406 2.588 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.170 3.933 1.173 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.384 2.525 2.331 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.392 1.995 0.987 1.00 0.00 H new ATOM 791 N ALA A 55 -11.399 2.327 5.315 1.00 0.00 N ATOM 792 CA ALA A 55 -11.970 2.498 6.640 1.00 0.00 C ATOM 793 C ALA A 55 -11.686 1.250 7.478 1.00 0.00 C ATOM 794 O ALA A 55 -11.530 1.338 8.695 1.00 0.00 O ATOM 795 CB ALA A 55 -13.467 2.790 6.517 1.00 0.00 C ATOM 0 H ALA A 55 -12.068 2.405 4.549 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.513 3.347 7.148 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.896 2.918 7.511 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.613 3.702 5.938 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -13.960 1.958 6.014 1.00 0.00 H new ATOM 801 N MET A 56 -11.627 0.117 6.794 1.00 0.00 N ATOM 802 CA MET A 56 -11.365 -1.147 7.460 1.00 0.00 C ATOM 803 C MET A 56 -9.926 -1.607 7.215 1.00 0.00 C ATOM 804 O MET A 56 -9.641 -2.804 7.236 1.00 0.00 O ATOM 805 CB MET A 56 -12.336 -2.209 6.941 1.00 0.00 C ATOM 806 CG MET A 56 -13.380 -2.563 8.002 1.00 0.00 C ATOM 807 SD MET A 56 -12.628 -3.533 9.298 1.00 0.00 S ATOM 808 CE MET A 56 -14.091 -4.097 10.152 1.00 0.00 C ATOM 0 H MET A 56 -11.756 0.048 5.785 1.00 0.00 H new ATOM 0 HA MET A 56 -11.505 -1.008 8.532 1.00 0.00 H new ATOM 0 HB2 MET A 56 -12.834 -1.843 6.043 1.00 0.00 H new ATOM 0 HB3 MET A 56 -11.783 -3.104 6.657 1.00 0.00 H new ATOM 0 HG2 MET A 56 -13.809 -1.652 8.420 1.00 0.00 H new ATOM 0 HG3 MET A 56 -14.198 -3.121 7.547 1.00 0.00 H new ATOM 0 HE1 MET A 56 -13.801 -4.722 10.997 1.00 0.00 H new ATOM 0 HE2 MET A 56 -14.656 -3.237 10.513 1.00 0.00 H new ATOM 0 HE3 MET A 56 -14.711 -4.677 9.468 1.00 0.00 H new ATOM 818 N GLN A 57 -9.057 -0.633 6.989 1.00 0.00 N ATOM 819 CA GLN A 57 -7.656 -0.923 6.740 1.00 0.00 C ATOM 820 C GLN A 57 -6.802 -0.474 7.928 1.00 0.00 C ATOM 821 O GLN A 57 -7.223 0.373 8.715 1.00 0.00 O ATOM 822 CB GLN A 57 -7.181 -0.264 5.444 1.00 0.00 C ATOM 823 CG GLN A 57 -7.292 -1.232 4.264 1.00 0.00 C ATOM 824 CD GLN A 57 -6.395 -0.790 3.106 1.00 0.00 C ATOM 825 OE1 GLN A 57 -5.191 -0.642 3.240 1.00 0.00 O ATOM 826 NE2 GLN A 57 -7.046 -0.588 1.964 1.00 0.00 N ATOM 0 H GLN A 57 -9.297 0.358 6.973 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.544 -2.001 6.623 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.777 0.627 5.245 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.147 0.062 5.555 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.011 -2.235 4.584 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.327 -1.284 3.927 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -8.055 -0.730 1.920 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -6.536 -0.291 1.132 1.00 0.00 H new ATOM 835 N LYS A 58 -5.618 -1.061 8.020 1.00 0.00 N ATOM 836 CA LYS A 58 -4.701 -0.732 9.099 1.00 0.00 C ATOM 837 C LYS A 58 -3.328 -0.401 8.512 1.00 0.00 C ATOM 838 O LYS A 58 -2.518 -1.297 8.277 1.00 0.00 O ATOM 839 CB LYS A 58 -4.672 -1.855 10.138 1.00 0.00 C ATOM 840 CG LYS A 58 -3.695 -1.529 11.270 1.00 0.00 C ATOM 841 CD LYS A 58 -3.187 -2.807 11.941 1.00 0.00 C ATOM 842 CE LYS A 58 -3.145 -2.648 13.462 1.00 0.00 C ATOM 843 NZ LYS A 58 -3.553 -3.906 14.126 1.00 0.00 N ATOM 0 H LYS A 58 -5.272 -1.762 7.365 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.042 0.155 9.632 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.672 -2.003 10.547 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.381 -2.790 9.660 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.852 -0.961 10.876 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.187 -0.897 12.009 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.835 -3.643 11.677 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.191 -3.046 11.569 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.138 -2.373 13.777 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.807 -1.837 13.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.519 -3.781 15.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.522 -4.152 13.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.905 -4.671 13.849 1.00 0.00 H new ATOM 857 N VAL A 59 -3.108 0.887 8.293 1.00 0.00 N ATOM 858 CA VAL A 59 -1.846 1.347 7.738 1.00 0.00 C ATOM 859 C VAL A 59 -0.860 1.613 8.877 1.00 0.00 C ATOM 860 O VAL A 59 -1.016 2.578 9.625 1.00 0.00 O ATOM 861 CB VAL A 59 -2.080 2.571 6.851 1.00 0.00 C ATOM 862 CG1 VAL A 59 -0.878 2.826 5.940 1.00 0.00 C ATOM 863 CG2 VAL A 59 -3.365 2.419 6.034 1.00 0.00 C ATOM 0 H VAL A 59 -3.782 1.627 8.490 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.406 0.580 7.100 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.197 3.438 7.501 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.071 3.702 5.320 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.009 3.000 6.549 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.715 1.958 5.301 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.508 3.303 5.412 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.290 1.537 5.399 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.214 2.309 6.709 1.00 0.00 H new ATOM 873 N MET A 60 0.133 0.741 8.974 1.00 0.00 N ATOM 874 CA MET A 60 1.144 0.871 10.009 1.00 0.00 C ATOM 875 C MET A 60 2.485 0.303 9.540 1.00 0.00 C ATOM 876 O MET A 60 2.579 -0.876 9.201 1.00 0.00 O ATOM 877 CB MET A 60 0.686 0.128 11.266 1.00 0.00 C ATOM 878 CG MET A 60 0.140 1.103 12.311 1.00 0.00 C ATOM 879 SD MET A 60 0.002 0.288 13.893 1.00 0.00 S ATOM 880 CE MET A 60 1.728 -0.001 14.244 1.00 0.00 C ATOM 0 H MET A 60 0.259 -0.058 8.353 1.00 0.00 H new ATOM 0 HA MET A 60 1.277 1.930 10.230 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.084 -0.598 11.004 1.00 0.00 H new ATOM 0 HB3 MET A 60 1.522 -0.431 11.687 1.00 0.00 H new ATOM 0 HG2 MET A 60 0.799 1.967 12.394 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.835 1.476 11.998 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.946 0.301 15.268 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.952 -1.061 14.122 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.342 0.580 13.556 1.00 0.00 H new ATOM 890 N TYR A 61 3.489 1.167 9.536 1.00 0.00 N ATOM 891 CA TYR A 61 4.820 0.766 9.114 1.00 0.00 C ATOM 892 C TYR A 61 5.864 1.130 10.172 1.00 0.00 C ATOM 893 O TYR A 61 6.273 2.286 10.274 1.00 0.00 O ATOM 894 CB TYR A 61 5.112 1.554 7.835 1.00 0.00 C ATOM 895 CG TYR A 61 6.592 1.582 7.445 1.00 0.00 C ATOM 896 CD1 TYR A 61 7.371 0.456 7.616 1.00 0.00 C ATOM 897 CD2 TYR A 61 7.146 2.733 6.923 1.00 0.00 C ATOM 898 CE1 TYR A 61 8.764 0.483 7.250 1.00 0.00 C ATOM 899 CE2 TYR A 61 8.538 2.759 6.557 1.00 0.00 C ATOM 900 CZ TYR A 61 9.279 1.633 6.738 1.00 0.00 C ATOM 901 OH TYR A 61 10.594 1.658 6.392 1.00 0.00 O ATOM 0 H TYR A 61 3.407 2.144 9.818 1.00 0.00 H new ATOM 0 HA TYR A 61 4.865 -0.312 8.961 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.539 1.121 7.015 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.761 2.578 7.963 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.937 -0.445 8.024 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.536 3.614 6.789 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.386 -0.391 7.379 1.00 0.00 H new ATOM 0 HE2 TYR A 61 8.984 3.653 6.148 1.00 0.00 H new ATOM 0 HH TYR A 61 10.823 2.543 6.040 1.00 0.00 H new ATOM 911 N LYS A 62 6.264 0.122 10.933 1.00 0.00 N ATOM 912 CA LYS A 62 7.252 0.321 11.980 1.00 0.00 C ATOM 913 C LYS A 62 6.888 1.569 12.787 1.00 0.00 C ATOM 914 O LYS A 62 7.759 2.205 13.380 1.00 0.00 O ATOM 915 CB LYS A 62 8.661 0.362 11.386 1.00 0.00 C ATOM 916 CG LYS A 62 9.266 -1.042 11.313 1.00 0.00 C ATOM 917 CD LYS A 62 10.497 -1.156 12.215 1.00 0.00 C ATOM 918 CE LYS A 62 11.780 -0.885 11.427 1.00 0.00 C ATOM 919 NZ LYS A 62 12.761 -1.972 11.644 1.00 0.00 N ATOM 0 H LYS A 62 5.922 -0.835 10.846 1.00 0.00 H new ATOM 0 HA LYS A 62 7.248 -0.520 12.673 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.626 0.799 10.388 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.297 1.005 11.994 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.521 -1.779 11.613 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.543 -1.270 10.284 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.415 -0.447 13.039 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.539 -2.153 12.655 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.550 -0.801 10.365 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.210 0.068 11.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.626 -1.772 11.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.993 -2.033 12.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.354 -2.875 11.327 1.00 0.00 H new ATOM 933 N GLY A 63 5.601 1.883 12.784 1.00 0.00 N ATOM 934 CA GLY A 63 5.112 3.044 13.509 1.00 0.00 C ATOM 935 C GLY A 63 3.876 3.634 12.828 1.00 0.00 C ATOM 936 O GLY A 63 3.674 3.448 11.629 1.00 0.00 O ATOM 0 H GLY A 63 4.882 1.354 12.291 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.868 2.761 14.533 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.896 3.799 13.565 1.00 0.00 H new ATOM 940 N LEU A 64 3.080 4.334 13.623 1.00 0.00 N ATOM 941 CA LEU A 64 1.868 4.953 13.113 1.00 0.00 C ATOM 942 C LEU A 64 2.226 5.882 11.951 1.00 0.00 C ATOM 943 O LEU A 64 3.249 6.563 11.989 1.00 0.00 O ATOM 944 CB LEU A 64 1.104 5.646 14.242 1.00 0.00 C ATOM 945 CG LEU A 64 0.285 4.733 15.157 1.00 0.00 C ATOM 946 CD1 LEU A 64 -1.122 4.515 14.597 1.00 0.00 C ATOM 947 CD2 LEU A 64 1.013 3.411 15.407 1.00 0.00 C ATOM 0 H LEU A 64 3.251 4.486 14.617 1.00 0.00 H new ATOM 0 HA LEU A 64 1.190 4.196 12.719 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.819 6.194 14.855 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.432 6.382 13.801 1.00 0.00 H new ATOM 0 HG LEU A 64 0.175 5.227 16.122 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.683 3.863 15.266 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.633 5.474 14.513 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.054 4.053 13.612 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.409 2.781 16.060 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.175 2.900 14.458 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.974 3.609 15.881 1.00 0.00 H new ATOM 959 N VAL A 65 1.362 5.880 10.946 1.00 0.00 N ATOM 960 CA VAL A 65 1.574 6.715 9.776 1.00 0.00 C ATOM 961 C VAL A 65 0.678 7.952 9.868 1.00 0.00 C ATOM 962 O VAL A 65 -0.545 7.845 9.789 1.00 0.00 O ATOM 963 CB VAL A 65 1.338 5.900 8.503 1.00 0.00 C ATOM 964 CG1 VAL A 65 1.090 6.817 7.303 1.00 0.00 C ATOM 965 CG2 VAL A 65 2.509 4.951 8.235 1.00 0.00 C ATOM 0 H VAL A 65 0.514 5.314 10.918 1.00 0.00 H new ATOM 0 HA VAL A 65 2.606 7.063 9.737 1.00 0.00 H new ATOM 0 HB VAL A 65 0.444 5.295 8.653 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.925 6.213 6.411 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.211 7.433 7.491 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.957 7.459 7.151 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.316 4.383 7.325 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.425 5.529 8.115 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.620 4.264 9.074 1.00 0.00 H new ATOM 975 N PRO A 66 1.339 9.128 10.038 1.00 0.00 N ATOM 976 CA PRO A 66 0.616 10.385 10.142 1.00 0.00 C ATOM 977 C PRO A 66 0.098 10.834 8.774 1.00 0.00 C ATOM 978 O PRO A 66 0.870 10.963 7.826 1.00 0.00 O ATOM 979 CB PRO A 66 1.609 11.361 10.751 1.00 0.00 C ATOM 980 CG PRO A 66 2.983 10.747 10.535 1.00 0.00 C ATOM 981 CD PRO A 66 2.786 9.294 10.136 1.00 0.00 C ATOM 0 HA PRO A 66 -0.277 10.307 10.763 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.539 12.338 10.274 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.410 11.509 11.812 1.00 0.00 H new ATOM 0 HG2 PRO A 66 3.524 11.286 9.758 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.579 10.816 11.445 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.275 9.075 9.187 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.212 8.619 10.878 1.00 0.00 H new ATOM 989 N GLU A 67 -1.207 11.059 8.716 1.00 0.00 N ATOM 990 CA GLU A 67 -1.837 11.491 7.480 1.00 0.00 C ATOM 991 C GLU A 67 -1.528 12.965 7.214 1.00 0.00 C ATOM 992 O GLU A 67 -1.745 13.459 6.108 1.00 0.00 O ATOM 993 CB GLU A 67 -3.346 11.245 7.519 1.00 0.00 C ATOM 994 CG GLU A 67 -3.657 9.814 7.965 1.00 0.00 C ATOM 995 CD GLU A 67 -5.151 9.510 7.829 1.00 0.00 C ATOM 996 OE1 GLU A 67 -5.758 10.060 6.884 1.00 0.00 O ATOM 997 OE2 GLU A 67 -5.651 8.735 8.672 1.00 0.00 O ATOM 0 H GLU A 67 -1.845 10.950 9.505 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.427 10.901 6.660 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.816 11.953 8.202 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.773 11.423 6.532 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.083 9.109 7.364 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.347 9.677 9.001 1.00 0.00 H new ATOM 1004 N ASP A 68 -1.028 13.628 8.246 1.00 0.00 N ATOM 1005 CA ASP A 68 -0.687 15.036 8.138 1.00 0.00 C ATOM 1006 C ASP A 68 0.697 15.174 7.502 1.00 0.00 C ATOM 1007 O ASP A 68 1.095 16.268 7.103 1.00 0.00 O ATOM 1008 CB ASP A 68 -0.643 15.700 9.515 1.00 0.00 C ATOM 1009 CG ASP A 68 -1.696 16.786 9.744 1.00 0.00 C ATOM 1010 OD1 ASP A 68 -1.537 17.867 9.138 1.00 0.00 O ATOM 1011 OD2 ASP A 68 -2.637 16.510 10.520 1.00 0.00 O ATOM 0 H ASP A 68 -0.851 13.216 9.162 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.449 15.521 7.528 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.765 14.930 10.277 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.345 16.137 9.659 1.00 0.00 H new ATOM 1016 N LYS A 69 1.393 14.050 7.426 1.00 0.00 N ATOM 1017 CA LYS A 69 2.725 14.031 6.845 1.00 0.00 C ATOM 1018 C LYS A 69 2.773 12.994 5.722 1.00 0.00 C ATOM 1019 O LYS A 69 2.116 11.957 5.801 1.00 0.00 O ATOM 1020 CB LYS A 69 3.780 13.811 7.931 1.00 0.00 C ATOM 1021 CG LYS A 69 3.718 14.914 8.989 1.00 0.00 C ATOM 1022 CD LYS A 69 4.685 16.052 8.653 1.00 0.00 C ATOM 1023 CE LYS A 69 4.673 17.122 9.746 1.00 0.00 C ATOM 1024 NZ LYS A 69 3.616 18.124 9.479 1.00 0.00 N ATOM 0 H LYS A 69 1.060 13.145 7.757 1.00 0.00 H new ATOM 0 HA LYS A 69 2.959 14.997 6.397 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.624 12.841 8.403 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.772 13.790 7.480 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.702 15.303 9.055 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.964 14.499 9.966 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.694 15.655 8.539 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.408 16.499 7.698 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.504 16.656 10.717 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.645 17.613 9.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.622 18.843 10.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.794 18.580 8.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.689 17.653 9.457 1.00 0.00 H new ATOM 1038 N THR A 70 3.557 13.309 4.701 1.00 0.00 N ATOM 1039 CA THR A 70 3.699 12.417 3.563 1.00 0.00 C ATOM 1040 C THR A 70 4.728 11.326 3.866 1.00 0.00 C ATOM 1041 O THR A 70 5.520 11.456 4.798 1.00 0.00 O ATOM 1042 CB THR A 70 4.054 13.265 2.340 1.00 0.00 C ATOM 1043 OG1 THR A 70 5.177 14.032 2.763 1.00 0.00 O ATOM 1044 CG2 THR A 70 2.984 14.312 2.023 1.00 0.00 C ATOM 0 H THR A 70 4.101 14.170 4.638 1.00 0.00 H new ATOM 0 HA THR A 70 2.767 11.892 3.353 1.00 0.00 H new ATOM 0 HB THR A 70 4.193 12.615 1.476 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.963 14.986 2.701 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.285 14.886 1.147 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.036 13.814 1.822 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.868 14.983 2.874 1.00 0.00 H new ATOM 1052 N LEU A 71 4.683 10.275 3.060 1.00 0.00 N ATOM 1053 CA LEU A 71 5.602 9.162 3.230 1.00 0.00 C ATOM 1054 C LEU A 71 7.009 9.703 3.490 1.00 0.00 C ATOM 1055 O LEU A 71 7.608 9.414 4.524 1.00 0.00 O ATOM 1056 CB LEU A 71 5.519 8.212 2.033 1.00 0.00 C ATOM 1057 CG LEU A 71 4.130 7.657 1.712 1.00 0.00 C ATOM 1058 CD1 LEU A 71 3.867 7.676 0.205 1.00 0.00 C ATOM 1059 CD2 LEU A 71 3.947 6.260 2.308 1.00 0.00 C ATOM 0 H LEU A 71 4.025 10.171 2.288 1.00 0.00 H new ATOM 0 HA LEU A 71 5.324 8.567 4.100 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.892 8.735 1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.191 7.373 2.213 1.00 0.00 H new ATOM 0 HG LEU A 71 3.387 8.305 2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.873 7.276 0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.927 8.701 -0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.613 7.065 -0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.951 5.888 2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.697 5.586 1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.062 6.308 3.391 1.00 0.00 H new ATOM 1071 N ARG A 72 7.496 10.480 2.533 1.00 0.00 N ATOM 1072 CA ARG A 72 8.822 11.064 2.646 1.00 0.00 C ATOM 1073 C ARG A 72 8.998 11.720 4.017 1.00 0.00 C ATOM 1074 O ARG A 72 10.106 11.768 4.548 1.00 0.00 O ATOM 1075 CB ARG A 72 9.058 12.109 1.554 1.00 0.00 C ATOM 1076 CG ARG A 72 10.503 12.609 1.576 1.00 0.00 C ATOM 1077 CD ARG A 72 10.559 14.132 1.435 1.00 0.00 C ATOM 1078 NE ARG A 72 10.555 14.765 2.773 1.00 0.00 N ATOM 1079 CZ ARG A 72 11.542 14.631 3.670 1.00 0.00 C ATOM 1080 NH1 ARG A 72 12.617 13.886 3.378 1.00 0.00 N ATOM 1081 NH2 ARG A 72 11.453 15.242 4.859 1.00 0.00 N ATOM 0 H ARG A 72 6.996 10.719 1.676 1.00 0.00 H new ATOM 0 HA ARG A 72 9.549 10.261 2.528 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.834 11.678 0.578 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.377 12.948 1.696 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.981 12.309 2.508 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.065 12.144 0.766 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.457 14.422 0.889 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.706 14.483 0.855 1.00 0.00 H new ATOM 0 HE ARG A 72 9.751 15.339 3.028 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.684 13.421 2.473 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.368 13.784 4.061 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.635 15.809 5.081 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.204 15.140 5.542 1.00 0.00 H new ATOM 1095 N GLU A 73 7.888 12.209 4.550 1.00 0.00 N ATOM 1096 CA GLU A 73 7.906 12.860 5.849 1.00 0.00 C ATOM 1097 C GLU A 73 7.801 11.820 6.966 1.00 0.00 C ATOM 1098 O GLU A 73 8.476 11.932 7.988 1.00 0.00 O ATOM 1099 CB GLU A 73 6.785 13.896 5.958 1.00 0.00 C ATOM 1100 CG GLU A 73 7.080 15.117 5.085 1.00 0.00 C ATOM 1101 CD GLU A 73 6.896 16.415 5.875 1.00 0.00 C ATOM 1102 OE1 GLU A 73 7.710 16.637 6.798 1.00 0.00 O ATOM 1103 OE2 GLU A 73 5.947 17.154 5.539 1.00 0.00 O ATOM 0 H GLU A 73 6.971 12.168 4.106 1.00 0.00 H new ATOM 0 HA GLU A 73 8.855 13.386 5.957 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.839 13.447 5.654 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.671 14.206 6.997 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.100 15.059 4.706 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.418 15.117 4.219 1.00 0.00 H new ATOM 1110 N ILE A 74 6.951 10.831 6.733 1.00 0.00 N ATOM 1111 CA ILE A 74 6.749 9.772 7.706 1.00 0.00 C ATOM 1112 C ILE A 74 7.977 8.859 7.722 1.00 0.00 C ATOM 1113 O ILE A 74 8.071 7.953 8.548 1.00 0.00 O ATOM 1114 CB ILE A 74 5.438 9.034 7.431 1.00 0.00 C ATOM 1115 CG1 ILE A 74 5.669 7.824 6.524 1.00 0.00 C ATOM 1116 CG2 ILE A 74 4.383 9.984 6.862 1.00 0.00 C ATOM 1117 CD1 ILE A 74 5.821 6.543 7.347 1.00 0.00 C ATOM 0 H ILE A 74 6.394 10.741 5.883 1.00 0.00 H new ATOM 0 HA ILE A 74 6.648 10.190 8.708 1.00 0.00 H new ATOM 0 HB ILE A 74 5.054 8.657 8.379 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.833 7.719 5.832 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.564 7.982 5.922 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.461 9.434 6.675 1.00 0.00 H new ATOM 0 HG22 ILE A 74 4.190 10.784 7.577 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.745 10.412 5.927 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.984 5.698 6.678 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.672 6.642 8.021 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.915 6.375 7.929 1.00 0.00 H new ATOM 1129 N LYS A 75 8.887 9.129 6.798 1.00 0.00 N ATOM 1130 CA LYS A 75 10.105 8.344 6.695 1.00 0.00 C ATOM 1131 C LYS A 75 9.815 7.062 5.911 1.00 0.00 C ATOM 1132 O LYS A 75 9.514 6.025 6.500 1.00 0.00 O ATOM 1133 CB LYS A 75 10.702 8.095 8.081 1.00 0.00 C ATOM 1134 CG LYS A 75 10.674 9.370 8.926 1.00 0.00 C ATOM 1135 CD LYS A 75 12.092 9.836 9.263 1.00 0.00 C ATOM 1136 CE LYS A 75 12.101 10.695 10.529 1.00 0.00 C ATOM 1137 NZ LYS A 75 12.810 9.996 11.625 1.00 0.00 N ATOM 0 H LYS A 75 8.805 9.881 6.114 1.00 0.00 H new ATOM 0 HA LYS A 75 10.866 8.893 6.140 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.143 7.307 8.586 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.729 7.743 7.981 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.148 10.157 8.386 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.119 9.189 9.846 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.740 8.970 9.402 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.499 10.407 8.429 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.586 11.649 10.325 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.078 10.916 10.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.807 10.593 12.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.330 9.097 11.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.792 9.807 11.338 1.00 0.00 H new ATOM 1151 N VAL A 76 9.916 7.175 4.595 1.00 0.00 N ATOM 1152 CA VAL A 76 9.668 6.038 3.725 1.00 0.00 C ATOM 1153 C VAL A 76 10.740 5.993 2.634 1.00 0.00 C ATOM 1154 O VAL A 76 11.210 7.034 2.178 1.00 0.00 O ATOM 1155 CB VAL A 76 8.246 6.109 3.163 1.00 0.00 C ATOM 1156 CG1 VAL A 76 8.054 5.099 2.030 1.00 0.00 C ATOM 1157 CG2 VAL A 76 7.209 5.897 4.268 1.00 0.00 C ATOM 0 H VAL A 76 10.166 8.037 4.110 1.00 0.00 H new ATOM 0 HA VAL A 76 9.735 5.106 4.286 1.00 0.00 H new ATOM 0 HB VAL A 76 8.097 7.107 2.751 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.036 5.170 1.648 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.758 5.315 1.227 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.231 4.092 2.407 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.207 5.952 3.842 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.357 4.917 4.722 1.00 0.00 H new ATOM 0 HG23 VAL A 76 7.324 6.670 5.028 1.00 0.00 H new ATOM 1167 N THR A 77 11.095 4.776 2.248 1.00 0.00 N ATOM 1168 CA THR A 77 12.103 4.582 1.220 1.00 0.00 C ATOM 1169 C THR A 77 11.676 3.471 0.258 1.00 0.00 C ATOM 1170 O THR A 77 10.631 2.849 0.446 1.00 0.00 O ATOM 1171 CB THR A 77 13.438 4.306 1.913 1.00 0.00 C ATOM 1172 OG1 THR A 77 13.184 3.153 2.712 1.00 0.00 O ATOM 1173 CG2 THR A 77 13.806 5.389 2.929 1.00 0.00 C ATOM 0 H THR A 77 10.703 3.915 2.629 1.00 0.00 H new ATOM 0 HA THR A 77 12.218 5.475 0.605 1.00 0.00 H new ATOM 0 HB THR A 77 14.226 4.229 1.163 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.999 2.904 3.195 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.762 5.144 3.392 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.884 6.351 2.423 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.035 5.444 3.697 1.00 0.00 H new ATOM 1181 N SER A 78 12.507 3.254 -0.751 1.00 0.00 N ATOM 1182 CA SER A 78 12.229 2.229 -1.742 1.00 0.00 C ATOM 1183 C SER A 78 12.482 0.842 -1.147 1.00 0.00 C ATOM 1184 O SER A 78 13.630 0.433 -0.984 1.00 0.00 O ATOM 1185 CB SER A 78 13.080 2.431 -2.997 1.00 0.00 C ATOM 1186 OG SER A 78 14.474 2.351 -2.715 1.00 0.00 O ATOM 0 H SER A 78 13.373 3.771 -0.903 1.00 0.00 H new ATOM 0 HA SER A 78 11.181 2.308 -2.030 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.816 1.677 -3.739 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.854 3.403 -3.436 1.00 0.00 H new ATOM 0 HG SER A 78 14.639 1.615 -2.089 1.00 0.00 H new ATOM 1192 N GLY A 79 11.390 0.158 -0.837 1.00 0.00 N ATOM 1193 CA GLY A 79 11.480 -1.174 -0.263 1.00 0.00 C ATOM 1194 C GLY A 79 10.941 -1.191 1.169 1.00 0.00 C ATOM 1195 O GLY A 79 11.310 -2.052 1.965 1.00 0.00 O ATOM 0 H GLY A 79 10.439 0.501 -0.972 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.916 -1.877 -0.876 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.518 -1.507 -0.269 1.00 0.00 H new ATOM 1199 N ALA A 80 10.076 -0.228 1.453 1.00 0.00 N ATOM 1200 CA ALA A 80 9.482 -0.121 2.775 1.00 0.00 C ATOM 1201 C ALA A 80 8.472 -1.254 2.969 1.00 0.00 C ATOM 1202 O ALA A 80 8.276 -2.075 2.074 1.00 0.00 O ATOM 1203 CB ALA A 80 8.847 1.261 2.940 1.00 0.00 C ATOM 0 H ALA A 80 9.772 0.485 0.790 1.00 0.00 H new ATOM 0 HA ALA A 80 10.244 -0.223 3.547 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.402 1.341 3.932 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.612 2.029 2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 80 8.075 1.399 2.183 1.00 0.00 H new ATOM 1209 N LYS A 81 7.857 -1.261 4.142 1.00 0.00 N ATOM 1210 CA LYS A 81 6.871 -2.279 4.464 1.00 0.00 C ATOM 1211 C LYS A 81 5.547 -1.605 4.826 1.00 0.00 C ATOM 1212 O LYS A 81 5.529 -0.617 5.559 1.00 0.00 O ATOM 1213 CB LYS A 81 7.403 -3.214 5.553 1.00 0.00 C ATOM 1214 CG LYS A 81 6.445 -4.384 5.787 1.00 0.00 C ATOM 1215 CD LYS A 81 7.199 -5.715 5.805 1.00 0.00 C ATOM 1216 CE LYS A 81 6.418 -6.777 6.580 1.00 0.00 C ATOM 1217 NZ LYS A 81 7.296 -7.456 7.559 1.00 0.00 N ATOM 0 H LYS A 81 8.022 -0.578 4.881 1.00 0.00 H new ATOM 0 HA LYS A 81 6.680 -2.912 3.597 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.383 -3.594 5.264 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.537 -2.658 6.481 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.921 -4.246 6.733 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.688 -4.401 5.003 1.00 0.00 H new ATOM 0 HD2 LYS A 81 7.367 -6.056 4.783 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.180 -5.575 6.260 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.578 -6.314 7.097 1.00 0.00 H new ATOM 0 HE3 LYS A 81 6.002 -7.509 5.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.749 -8.174 8.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 8.084 -7.915 7.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 7.673 -6.757 8.231 1.00 0.00 H new ATOM 1231 N ILE A 82 4.470 -2.164 4.294 1.00 0.00 N ATOM 1232 CA ILE A 82 3.144 -1.629 4.552 1.00 0.00 C ATOM 1233 C ILE A 82 2.197 -2.775 4.915 1.00 0.00 C ATOM 1234 O ILE A 82 1.942 -3.657 4.096 1.00 0.00 O ATOM 1235 CB ILE A 82 2.665 -0.789 3.366 1.00 0.00 C ATOM 1236 CG1 ILE A 82 3.694 0.284 3.004 1.00 0.00 C ATOM 1237 CG2 ILE A 82 1.285 -0.189 3.640 1.00 0.00 C ATOM 1238 CD1 ILE A 82 3.647 1.447 3.998 1.00 0.00 C ATOM 0 H ILE A 82 4.489 -2.982 3.685 1.00 0.00 H new ATOM 0 HA ILE A 82 3.167 -0.951 5.405 1.00 0.00 H new ATOM 0 HB ILE A 82 2.565 -1.445 2.501 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.693 -0.153 2.997 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.500 0.654 1.997 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.969 0.403 2.781 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.567 -0.991 3.812 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.334 0.449 4.522 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.388 2.195 3.718 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.654 1.897 3.985 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.865 1.078 5.000 1.00 0.00 H new ATOM 1250 N MET A 83 1.703 -2.726 6.143 1.00 0.00 N ATOM 1251 CA MET A 83 0.791 -3.749 6.624 1.00 0.00 C ATOM 1252 C MET A 83 -0.665 -3.318 6.437 1.00 0.00 C ATOM 1253 O MET A 83 -0.999 -2.148 6.623 1.00 0.00 O ATOM 1254 CB MET A 83 1.058 -4.015 8.107 1.00 0.00 C ATOM 1255 CG MET A 83 1.598 -5.430 8.322 1.00 0.00 C ATOM 1256 SD MET A 83 3.192 -5.361 9.121 1.00 0.00 S ATOM 1257 CE MET A 83 3.761 -7.026 8.824 1.00 0.00 C ATOM 0 H MET A 83 1.917 -1.993 6.820 1.00 0.00 H new ATOM 0 HA MET A 83 0.958 -4.658 6.047 1.00 0.00 H new ATOM 0 HB2 MET A 83 1.774 -3.287 8.487 1.00 0.00 H new ATOM 0 HB3 MET A 83 0.137 -3.883 8.675 1.00 0.00 H new ATOM 0 HG2 MET A 83 0.901 -6.005 8.932 1.00 0.00 H new ATOM 0 HG3 MET A 83 1.684 -5.945 7.365 1.00 0.00 H new ATOM 0 HE1 MET A 83 4.791 -7.125 9.166 1.00 0.00 H new ATOM 0 HE2 MET A 83 3.129 -7.729 9.367 1.00 0.00 H new ATOM 0 HE3 MET A 83 3.711 -7.243 7.757 1.00 0.00 H new ATOM 1267 N VAL A 84 -1.493 -4.285 6.070 1.00 0.00 N ATOM 1268 CA VAL A 84 -2.906 -4.019 5.855 1.00 0.00 C ATOM 1269 C VAL A 84 -3.735 -5.100 6.552 1.00 0.00 C ATOM 1270 O VAL A 84 -3.328 -6.259 6.610 1.00 0.00 O ATOM 1271 CB VAL A 84 -3.197 -3.916 4.357 1.00 0.00 C ATOM 1272 CG1 VAL A 84 -4.693 -3.722 4.101 1.00 0.00 C ATOM 1273 CG2 VAL A 84 -2.380 -2.793 3.715 1.00 0.00 C ATOM 0 H VAL A 84 -1.213 -5.254 5.916 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.186 -3.061 6.293 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.897 -4.855 3.892 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.872 -3.652 3.028 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.245 -4.570 4.506 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.029 -2.806 4.586 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.606 -2.742 2.650 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.634 -1.843 4.186 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.317 -2.993 3.851 1.00 0.00 H new ATOM 1283 N VAL A 85 -4.883 -4.681 7.065 1.00 0.00 N ATOM 1284 CA VAL A 85 -5.773 -5.599 7.756 1.00 0.00 C ATOM 1285 C VAL A 85 -7.219 -5.292 7.363 1.00 0.00 C ATOM 1286 O VAL A 85 -7.593 -4.129 7.216 1.00 0.00 O ATOM 1287 CB VAL A 85 -5.534 -5.523 9.265 1.00 0.00 C ATOM 1288 CG1 VAL A 85 -6.383 -6.557 10.007 1.00 0.00 C ATOM 1289 CG2 VAL A 85 -4.049 -5.694 9.594 1.00 0.00 C ATOM 0 H VAL A 85 -5.217 -3.719 7.016 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.567 -6.628 7.460 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.840 -4.533 9.604 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.194 -6.482 11.078 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.439 -6.370 9.811 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.122 -7.557 9.662 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.906 -5.636 10.673 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.706 -6.664 9.234 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.476 -4.904 9.109 1.00 0.00 H new