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 Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -90:sc= -1.5 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc=-0.00808 X(o=-0.0081,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 107:sc= 1.12 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.139 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 136:sc= 0.593 (180deg=-0.611) USER MOD Single : A 44 GLN : amide:sc= -0.0185 K(o=-0.019,f=-1.2) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.71 K(o=-0.71,f=0.081) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -97:sc= -2.29! USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -3.07! C(o=-3.1!,f=-5.8!) USER MOD Single : A 58 LYS NZ :NH3+ -162:sc= 0.0035 (180deg=0) USER MOD Single : A 60 MET CE :methyl 141:sc= -0.794 (180deg=-2.9!) 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 180:sc= -1.21 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 17:sc= 1.02 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -121:sc= -0.473 (180deg=-2.36!) USER MOD ----------------------------------------------------------------- ATOM 154 N GLU A 16 11.390 8.920 -9.596 1.00 0.00 N ATOM 155 CA GLU A 16 10.955 7.543 -9.753 1.00 0.00 C ATOM 156 C GLU A 16 10.215 7.074 -8.499 1.00 0.00 C ATOM 157 O GLU A 16 10.790 7.033 -7.413 1.00 0.00 O ATOM 158 CB GLU A 16 12.140 6.626 -10.065 1.00 0.00 C ATOM 159 CG GLU A 16 11.691 5.168 -10.177 1.00 0.00 C ATOM 160 CD GLU A 16 11.642 4.719 -11.638 1.00 0.00 C ATOM 161 OE1 GLU A 16 11.059 5.475 -12.445 1.00 0.00 O ATOM 162 OE2 GLU A 16 12.189 3.630 -11.916 1.00 0.00 O ATOM 0 HA GLU A 16 10.267 7.494 -10.597 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.610 6.938 -10.998 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.893 6.719 -9.282 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.376 4.529 -9.620 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.706 5.051 -9.724 1.00 0.00 H new ATOM 169 N LEU A 17 8.949 6.730 -8.692 1.00 0.00 N ATOM 170 CA LEU A 17 8.124 6.265 -7.591 1.00 0.00 C ATOM 171 C LEU A 17 8.956 5.355 -6.685 1.00 0.00 C ATOM 172 O LEU A 17 9.926 4.747 -7.133 1.00 0.00 O ATOM 173 CB LEU A 17 6.847 5.608 -8.118 1.00 0.00 C ATOM 174 CG LEU A 17 6.018 6.442 -9.097 1.00 0.00 C ATOM 175 CD1 LEU A 17 6.086 7.929 -8.744 1.00 0.00 C ATOM 176 CD2 LEU A 17 6.443 6.175 -10.542 1.00 0.00 C ATOM 0 H LEU A 17 8.476 6.764 -9.595 1.00 0.00 H new ATOM 0 HA LEU A 17 7.793 7.106 -6.981 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.119 4.673 -8.608 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.217 5.350 -7.267 1.00 0.00 H new ATOM 0 HG LEU A 17 4.975 6.137 -9.008 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.488 8.499 -9.455 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.697 8.082 -7.738 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.122 8.266 -8.788 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.838 6.780 -11.217 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.494 6.434 -10.666 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.300 5.120 -10.774 1.00 0.00 H new ATOM 188 N VAL A 18 8.545 5.291 -5.427 1.00 0.00 N ATOM 189 CA VAL A 18 9.240 4.465 -4.454 1.00 0.00 C ATOM 190 C VAL A 18 8.650 3.054 -4.475 1.00 0.00 C ATOM 191 O VAL A 18 7.441 2.884 -4.623 1.00 0.00 O ATOM 192 CB VAL A 18 9.176 5.119 -3.072 1.00 0.00 C ATOM 193 CG1 VAL A 18 7.730 5.426 -2.677 1.00 0.00 C ATOM 194 CG2 VAL A 18 9.858 4.243 -2.019 1.00 0.00 C ATOM 0 H VAL A 18 7.740 5.797 -5.059 1.00 0.00 H new ATOM 0 HA VAL A 18 10.296 4.380 -4.710 1.00 0.00 H new ATOM 0 HB VAL A 18 9.717 6.064 -3.123 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.713 5.890 -1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.290 6.107 -3.406 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.155 4.500 -2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.798 4.731 -1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.358 3.276 -1.971 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.904 4.098 -2.289 1.00 0.00 H new ATOM 204 N ASP A 19 9.532 2.076 -4.325 1.00 0.00 N ATOM 205 CA ASP A 19 9.114 0.685 -4.325 1.00 0.00 C ATOM 206 C ASP A 19 8.670 0.290 -2.915 1.00 0.00 C ATOM 207 O ASP A 19 9.479 0.271 -1.988 1.00 0.00 O ATOM 208 CB ASP A 19 10.265 -0.236 -4.734 1.00 0.00 C ATOM 209 CG ASP A 19 10.436 -0.427 -6.242 1.00 0.00 C ATOM 210 OD1 ASP A 19 9.421 -0.269 -6.953 1.00 0.00 O ATOM 211 OD2 ASP A 19 11.579 -0.726 -6.650 1.00 0.00 O ATOM 0 H ASP A 19 10.534 2.220 -4.203 1.00 0.00 H new ATOM 0 HA ASP A 19 8.296 0.579 -5.038 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.193 0.164 -4.326 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.110 -1.212 -4.275 1.00 0.00 H new ATOM 216 N LEU A 20 7.386 -0.016 -2.797 1.00 0.00 N ATOM 217 CA LEU A 20 6.825 -0.409 -1.515 1.00 0.00 C ATOM 218 C LEU A 20 6.131 -1.765 -1.662 1.00 0.00 C ATOM 219 O LEU A 20 5.566 -2.067 -2.711 1.00 0.00 O ATOM 220 CB LEU A 20 5.914 0.692 -0.968 1.00 0.00 C ATOM 221 CG LEU A 20 6.521 2.096 -0.907 1.00 0.00 C ATOM 222 CD1 LEU A 20 5.471 3.129 -0.493 1.00 0.00 C ATOM 223 CD2 LEU A 20 7.745 2.124 0.010 1.00 0.00 C ATOM 0 H LEU A 20 6.718 0.000 -3.568 1.00 0.00 H new ATOM 0 HA LEU A 20 7.616 -0.533 -0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.016 0.732 -1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.599 0.410 0.037 1.00 0.00 H new ATOM 0 HG LEU A 20 6.861 2.365 -1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.928 4.118 -0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.657 3.131 -1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.079 2.875 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.157 3.133 0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.452 1.826 1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.499 1.434 -0.368 1.00 0.00 H new ATOM 235 N LYS A 21 6.197 -2.546 -0.593 1.00 0.00 N ATOM 236 CA LYS A 21 5.583 -3.862 -0.590 1.00 0.00 C ATOM 237 C LYS A 21 4.237 -3.790 0.135 1.00 0.00 C ATOM 238 O LYS A 21 4.171 -3.364 1.287 1.00 0.00 O ATOM 239 CB LYS A 21 6.542 -4.900 -0.003 1.00 0.00 C ATOM 240 CG LYS A 21 7.206 -5.720 -1.111 1.00 0.00 C ATOM 241 CD LYS A 21 8.723 -5.768 -0.925 1.00 0.00 C ATOM 242 CE LYS A 21 9.362 -6.775 -1.882 1.00 0.00 C ATOM 243 NZ LYS A 21 10.547 -6.183 -2.543 1.00 0.00 N ATOM 0 H LYS A 21 6.666 -2.292 0.276 1.00 0.00 H new ATOM 0 HA LYS A 21 5.380 -4.190 -1.610 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.306 -4.399 0.592 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.998 -5.563 0.670 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.804 -6.733 -1.109 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.969 -5.285 -2.082 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.145 -4.778 -1.098 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.958 -6.039 0.104 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.654 -7.671 -1.334 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.635 -7.083 -2.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.969 -6.880 -3.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.260 -5.341 -3.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.247 -5.911 -1.823 1.00 0.00 H new ATOM 257 N ILE A 22 3.198 -4.213 -0.570 1.00 0.00 N ATOM 258 CA ILE A 22 1.858 -4.201 -0.008 1.00 0.00 C ATOM 259 C ILE A 22 1.613 -5.512 0.742 1.00 0.00 C ATOM 260 O ILE A 22 1.104 -6.474 0.168 1.00 0.00 O ATOM 261 CB ILE A 22 0.823 -3.913 -1.097 1.00 0.00 C ATOM 262 CG1 ILE A 22 1.310 -2.810 -2.038 1.00 0.00 C ATOM 263 CG2 ILE A 22 -0.540 -3.583 -0.484 1.00 0.00 C ATOM 264 CD1 ILE A 22 1.175 -1.432 -1.386 1.00 0.00 C ATOM 0 H ILE A 22 3.257 -4.566 -1.525 1.00 0.00 H new ATOM 0 HA ILE A 22 1.756 -3.394 0.718 1.00 0.00 H new ATOM 0 HB ILE A 22 0.697 -4.815 -1.696 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.351 -2.989 -2.305 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.734 -2.836 -2.963 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.258 -3.382 -1.279 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.885 -4.428 0.112 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.449 -2.703 0.153 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.528 -0.666 -2.077 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.129 -1.246 -1.142 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.771 -1.401 -0.474 1.00 0.00 H new ATOM 276 N ILE A 23 1.987 -5.509 2.013 1.00 0.00 N ATOM 277 CA ILE A 23 1.814 -6.686 2.847 1.00 0.00 C ATOM 278 C ILE A 23 0.360 -6.764 3.317 1.00 0.00 C ATOM 279 O ILE A 23 -0.190 -5.780 3.810 1.00 0.00 O ATOM 280 CB ILE A 23 2.831 -6.686 3.991 1.00 0.00 C ATOM 281 CG1 ILE A 23 4.247 -6.439 3.466 1.00 0.00 C ATOM 282 CG2 ILE A 23 2.739 -7.978 4.806 1.00 0.00 C ATOM 283 CD1 ILE A 23 4.767 -7.655 2.697 1.00 0.00 C ATOM 0 H ILE A 23 2.409 -4.710 2.486 1.00 0.00 H new ATOM 0 HA ILE A 23 2.013 -7.592 2.274 1.00 0.00 H new ATOM 0 HB ILE A 23 2.589 -5.863 4.663 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.250 -5.564 2.815 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.914 -6.219 4.299 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.472 -7.953 5.612 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.738 -8.072 5.228 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.941 -8.832 4.159 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.775 -7.453 2.335 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.786 -8.522 3.357 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.111 -7.858 1.850 1.00 0.00 H new ATOM 295 N TRP A 24 -0.220 -7.942 3.148 1.00 0.00 N ATOM 296 CA TRP A 24 -1.600 -8.161 3.549 1.00 0.00 C ATOM 297 C TRP A 24 -1.824 -9.670 3.667 1.00 0.00 C ATOM 298 O TRP A 24 -1.814 -10.383 2.665 1.00 0.00 O ATOM 299 CB TRP A 24 -2.567 -7.488 2.574 1.00 0.00 C ATOM 300 CG TRP A 24 -4.034 -7.556 3.006 1.00 0.00 C ATOM 301 CD1 TRP A 24 -4.523 -7.750 4.238 1.00 0.00 C ATOM 302 CD2 TRP A 24 -5.189 -7.422 2.151 1.00 0.00 C ATOM 303 NE1 TRP A 24 -5.903 -7.751 4.240 1.00 0.00 N ATOM 304 CE2 TRP A 24 -6.321 -7.545 2.930 1.00 0.00 C ATOM 305 CE3 TRP A 24 -5.274 -7.204 0.764 1.00 0.00 C ATOM 306 CZ2 TRP A 24 -7.619 -7.464 2.414 1.00 0.00 C ATOM 307 CZ3 TRP A 24 -6.579 -7.125 0.264 1.00 0.00 C ATOM 308 CH2 TRP A 24 -7.729 -7.247 1.036 1.00 0.00 C ATOM 0 H TRP A 24 0.240 -8.755 2.739 1.00 0.00 H new ATOM 0 HA TRP A 24 -1.798 -7.703 4.518 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -2.281 -6.443 2.458 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -2.465 -7.957 1.595 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -3.914 -7.888 5.119 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -6.506 -7.879 5.053 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.402 -7.105 0.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -8.489 -7.564 3.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.701 -6.958 -0.796 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -8.703 -7.175 0.574 1.00 0.00 H new ATOM 319 N ASN A 25 -2.020 -10.112 4.901 1.00 0.00 N ATOM 320 CA ASN A 25 -2.246 -11.524 5.163 1.00 0.00 C ATOM 321 C ASN A 25 -0.949 -12.298 4.918 1.00 0.00 C ATOM 322 O ASN A 25 -0.277 -12.704 5.865 1.00 0.00 O ATOM 323 CB ASN A 25 -3.319 -12.092 4.231 1.00 0.00 C ATOM 324 CG ASN A 25 -4.515 -12.616 5.027 1.00 0.00 C ATOM 325 OD1 ASN A 25 -4.482 -13.683 5.618 1.00 0.00 O ATOM 326 ND2 ASN A 25 -5.572 -11.808 5.011 1.00 0.00 N ATOM 0 H ASN A 25 -2.027 -9.518 5.730 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.575 -11.627 6.197 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.650 -11.319 3.538 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.895 -12.898 3.631 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.421 -12.068 5.513 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.534 -10.928 4.496 1.00 0.00 H new ATOM 333 N LYS A 26 -0.637 -12.478 3.644 1.00 0.00 N ATOM 334 CA LYS A 26 0.568 -13.196 3.263 1.00 0.00 C ATOM 335 C LYS A 26 0.829 -12.990 1.770 1.00 0.00 C ATOM 336 O LYS A 26 1.239 -13.918 1.074 1.00 0.00 O ATOM 337 CB LYS A 26 0.467 -14.667 3.673 1.00 0.00 C ATOM 338 CG LYS A 26 1.228 -14.927 4.975 1.00 0.00 C ATOM 339 CD LYS A 26 2.512 -15.715 4.711 1.00 0.00 C ATOM 340 CE LYS A 26 3.729 -14.788 4.683 1.00 0.00 C ATOM 341 NZ LYS A 26 4.936 -15.529 4.253 1.00 0.00 N ATOM 0 H LYS A 26 -1.197 -12.139 2.862 1.00 0.00 H new ATOM 0 HA LYS A 26 1.432 -12.799 3.795 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.580 -14.942 3.799 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.869 -15.298 2.880 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.471 -13.979 5.454 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.593 -15.480 5.667 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.644 -16.471 5.485 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.430 -16.242 3.761 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.544 -13.956 4.003 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.891 -14.361 5.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.752 -14.885 4.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.120 -16.308 4.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.785 -15.916 3.300 1.00 0.00 H new ATOM 355 N THR A 27 0.580 -11.769 1.321 1.00 0.00 N ATOM 356 CA THR A 27 0.783 -11.429 -0.077 1.00 0.00 C ATOM 357 C THR A 27 1.672 -10.190 -0.202 1.00 0.00 C ATOM 358 O THR A 27 1.662 -9.324 0.672 1.00 0.00 O ATOM 359 CB THR A 27 -0.592 -11.258 -0.727 1.00 0.00 C ATOM 360 OG1 THR A 27 -1.423 -10.800 0.336 1.00 0.00 O ATOM 361 CG2 THR A 27 -1.215 -12.594 -1.137 1.00 0.00 C ATOM 0 H THR A 27 0.239 -11.002 1.901 1.00 0.00 H new ATOM 0 HA THR A 27 1.311 -12.224 -0.604 1.00 0.00 H new ATOM 0 HB THR A 27 -0.503 -10.615 -1.602 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.824 -11.569 0.792 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.189 -12.417 -1.593 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.564 -13.094 -1.854 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.336 -13.225 -0.256 1.00 0.00 H new ATOM 369 N LYS A 28 2.420 -10.145 -1.295 1.00 0.00 N ATOM 370 CA LYS A 28 3.313 -9.026 -1.545 1.00 0.00 C ATOM 371 C LYS A 28 3.049 -8.472 -2.946 1.00 0.00 C ATOM 372 O LYS A 28 3.529 -9.023 -3.936 1.00 0.00 O ATOM 373 CB LYS A 28 4.767 -9.439 -1.310 1.00 0.00 C ATOM 374 CG LYS A 28 5.252 -10.387 -2.409 1.00 0.00 C ATOM 375 CD LYS A 28 6.230 -11.422 -1.848 1.00 0.00 C ATOM 376 CE LYS A 28 6.612 -12.450 -2.915 1.00 0.00 C ATOM 377 NZ LYS A 28 8.075 -12.444 -3.141 1.00 0.00 N ATOM 0 H LYS A 28 2.426 -10.865 -2.017 1.00 0.00 H new ATOM 0 HA LYS A 28 3.118 -8.217 -0.841 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.401 -8.553 -1.283 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.858 -9.925 -0.339 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.399 -10.894 -2.859 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.737 -9.815 -3.200 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.127 -10.920 -1.484 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.779 -11.929 -0.995 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.290 -13.444 -2.603 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.093 -12.225 -3.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.317 -13.147 -3.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.373 -11.500 -3.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.564 -12.680 -2.254 1.00 0.00 H new ATOM 391 N HIS A 29 2.287 -7.389 -2.986 1.00 0.00 N ATOM 392 CA HIS A 29 1.953 -6.754 -4.249 1.00 0.00 C ATOM 393 C HIS A 29 2.956 -5.637 -4.543 1.00 0.00 C ATOM 394 O HIS A 29 3.124 -4.721 -3.738 1.00 0.00 O ATOM 395 CB HIS A 29 0.504 -6.264 -4.246 1.00 0.00 C ATOM 396 CG HIS A 29 -0.497 -7.310 -3.814 1.00 0.00 C ATOM 397 ND1 HIS A 29 -0.616 -8.537 -4.441 1.00 0.00 N ATOM 398 CD2 HIS A 29 -1.421 -7.298 -2.811 1.00 0.00 C ATOM 399 CE1 HIS A 29 -1.573 -9.225 -3.836 1.00 0.00 C ATOM 400 NE2 HIS A 29 -2.071 -8.455 -2.826 1.00 0.00 N ATOM 0 H HIS A 29 1.891 -6.935 -2.163 1.00 0.00 H new ATOM 0 HA HIS A 29 2.026 -7.483 -5.056 1.00 0.00 H new ATOM 0 HB2 HIS A 29 0.424 -5.403 -3.582 1.00 0.00 H new ATOM 0 HB3 HIS A 29 0.245 -5.920 -5.247 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.594 -6.485 -2.122 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.901 -10.220 -4.097 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -2.820 -8.724 -2.188 1.00 0.00 H new ATOM 408 N ASP A 30 3.597 -5.748 -5.697 1.00 0.00 N ATOM 409 CA ASP A 30 4.579 -4.759 -6.106 1.00 0.00 C ATOM 410 C ASP A 30 3.859 -3.553 -6.713 1.00 0.00 C ATOM 411 O ASP A 30 3.237 -3.663 -7.769 1.00 0.00 O ATOM 412 CB ASP A 30 5.525 -5.327 -7.166 1.00 0.00 C ATOM 413 CG ASP A 30 4.835 -6.007 -8.351 1.00 0.00 C ATOM 414 OD1 ASP A 30 4.549 -7.217 -8.222 1.00 0.00 O ATOM 415 OD2 ASP A 30 4.609 -5.302 -9.357 1.00 0.00 O ATOM 0 H ASP A 30 3.455 -6.508 -6.362 1.00 0.00 H new ATOM 0 HA ASP A 30 5.154 -4.472 -5.226 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.150 -4.518 -7.544 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.190 -6.048 -6.690 1.00 0.00 H new ATOM 420 N VAL A 31 3.967 -2.429 -6.020 1.00 0.00 N ATOM 421 CA VAL A 31 3.334 -1.204 -6.477 1.00 0.00 C ATOM 422 C VAL A 31 4.301 -0.033 -6.285 1.00 0.00 C ATOM 423 O VAL A 31 4.985 0.051 -5.267 1.00 0.00 O ATOM 424 CB VAL A 31 2.001 -1.003 -5.754 1.00 0.00 C ATOM 425 CG1 VAL A 31 0.966 -2.031 -6.216 1.00 0.00 C ATOM 426 CG2 VAL A 31 2.187 -1.055 -4.236 1.00 0.00 C ATOM 0 H VAL A 31 4.484 -2.341 -5.145 1.00 0.00 H new ATOM 0 HA VAL A 31 3.105 -1.266 -7.541 1.00 0.00 H new ATOM 0 HB VAL A 31 1.626 -0.012 -6.011 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.028 -1.866 -5.687 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.801 -1.925 -7.288 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.331 -3.036 -6.003 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.224 -0.909 -3.746 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.595 -2.025 -3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.874 -0.268 -3.926 1.00 0.00 H new ATOM 436 N LYS A 32 4.325 0.841 -7.281 1.00 0.00 N ATOM 437 CA LYS A 32 5.197 2.003 -7.235 1.00 0.00 C ATOM 438 C LYS A 32 4.355 3.256 -6.986 1.00 0.00 C ATOM 439 O LYS A 32 3.349 3.476 -7.659 1.00 0.00 O ATOM 440 CB LYS A 32 6.055 2.079 -8.499 1.00 0.00 C ATOM 441 CG LYS A 32 5.291 2.752 -9.641 1.00 0.00 C ATOM 442 CD LYS A 32 5.962 2.474 -10.988 1.00 0.00 C ATOM 443 CE LYS A 32 4.943 2.520 -12.128 1.00 0.00 C ATOM 444 NZ LYS A 32 5.202 1.434 -13.099 1.00 0.00 N ATOM 0 H LYS A 32 3.755 0.768 -8.124 1.00 0.00 H new ATOM 0 HA LYS A 32 5.900 1.920 -6.406 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.968 2.636 -8.290 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.356 1.075 -8.800 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.264 2.388 -9.660 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.245 3.827 -9.469 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.746 3.210 -11.166 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.442 1.496 -10.964 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.934 2.424 -11.726 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.995 3.486 -12.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.501 1.480 -13.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.157 1.543 -13.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.130 0.514 -12.619 1.00 0.00 H new ATOM 458 N VAL A 33 4.798 4.046 -6.019 1.00 0.00 N ATOM 459 CA VAL A 33 4.099 5.271 -5.674 1.00 0.00 C ATOM 460 C VAL A 33 5.118 6.343 -5.282 1.00 0.00 C ATOM 461 O VAL A 33 6.208 6.024 -4.808 1.00 0.00 O ATOM 462 CB VAL A 33 3.070 4.995 -4.575 1.00 0.00 C ATOM 463 CG1 VAL A 33 2.399 3.635 -4.782 1.00 0.00 C ATOM 464 CG2 VAL A 33 3.710 5.086 -3.189 1.00 0.00 C ATOM 0 H VAL A 33 5.633 3.861 -5.463 1.00 0.00 H new ATOM 0 HA VAL A 33 3.545 5.648 -6.533 1.00 0.00 H new ATOM 0 HB VAL A 33 2.298 5.762 -4.638 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.672 3.463 -3.988 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.892 3.623 -5.747 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.154 2.849 -4.759 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.957 4.886 -2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.511 4.351 -3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.118 6.086 -3.042 1.00 0.00 H new ATOM 474 N PRO A 34 4.718 7.624 -5.500 1.00 0.00 N ATOM 475 CA PRO A 34 5.585 8.744 -5.174 1.00 0.00 C ATOM 476 C PRO A 34 5.633 8.979 -3.663 1.00 0.00 C ATOM 477 O PRO A 34 4.643 8.763 -2.966 1.00 0.00 O ATOM 478 CB PRO A 34 5.008 9.923 -5.941 1.00 0.00 C ATOM 479 CG PRO A 34 3.582 9.534 -6.294 1.00 0.00 C ATOM 480 CD PRO A 34 3.435 8.039 -6.059 1.00 0.00 C ATOM 0 HA PRO A 34 6.623 8.570 -5.458 1.00 0.00 H new ATOM 0 HB2 PRO A 34 5.027 10.829 -5.336 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.591 10.127 -6.839 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.872 10.089 -5.680 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.365 9.780 -7.333 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.616 7.825 -5.372 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.219 7.511 -6.988 1.00 0.00 H new ATOM 488 N LEU A 35 6.795 9.419 -3.202 1.00 0.00 N ATOM 489 CA LEU A 35 6.985 9.686 -1.786 1.00 0.00 C ATOM 490 C LEU A 35 6.260 10.981 -1.414 1.00 0.00 C ATOM 491 O LEU A 35 6.001 11.236 -0.239 1.00 0.00 O ATOM 492 CB LEU A 35 8.475 9.693 -1.438 1.00 0.00 C ATOM 493 CG LEU A 35 8.865 8.970 -0.148 1.00 0.00 C ATOM 494 CD1 LEU A 35 8.293 7.551 -0.120 1.00 0.00 C ATOM 495 CD2 LEU A 35 10.382 8.981 0.049 1.00 0.00 C ATOM 0 H LEU A 35 7.614 9.597 -3.784 1.00 0.00 H new ATOM 0 HA LEU A 35 6.545 8.890 -1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.023 9.241 -2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.806 10.729 -1.365 1.00 0.00 H new ATOM 0 HG LEU A 35 8.427 9.510 0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.585 7.059 0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.206 7.596 -0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.680 6.986 -0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.633 8.461 0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.862 8.479 -0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.734 10.011 0.106 1.00 0.00 H new ATOM 507 N ASP A 36 5.953 11.765 -2.438 1.00 0.00 N ATOM 508 CA ASP A 36 5.263 13.027 -2.233 1.00 0.00 C ATOM 509 C ASP A 36 3.837 12.752 -1.753 1.00 0.00 C ATOM 510 O ASP A 36 3.180 13.637 -1.207 1.00 0.00 O ATOM 511 CB ASP A 36 5.178 13.826 -3.535 1.00 0.00 C ATOM 512 CG ASP A 36 6.195 14.963 -3.663 1.00 0.00 C ATOM 513 OD1 ASP A 36 7.404 14.649 -3.629 1.00 0.00 O ATOM 514 OD2 ASP A 36 5.739 16.119 -3.793 1.00 0.00 O ATOM 0 H ASP A 36 6.170 11.550 -3.411 1.00 0.00 H new ATOM 0 HA ASP A 36 5.822 13.601 -1.494 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.313 13.142 -4.373 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.175 14.244 -3.623 1.00 0.00 H new ATOM 519 N SER A 37 3.399 11.521 -1.974 1.00 0.00 N ATOM 520 CA SER A 37 2.063 11.118 -1.572 1.00 0.00 C ATOM 521 C SER A 37 1.879 11.341 -0.069 1.00 0.00 C ATOM 522 O SER A 37 2.835 11.237 0.698 1.00 0.00 O ATOM 523 CB SER A 37 1.798 9.654 -1.927 1.00 0.00 C ATOM 524 OG SER A 37 2.280 9.325 -3.227 1.00 0.00 O ATOM 0 H SER A 37 3.947 10.789 -2.427 1.00 0.00 H new ATOM 0 HA SER A 37 1.344 11.731 -2.115 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.276 9.010 -1.189 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.727 9.457 -1.877 1.00 0.00 H new ATOM 0 HG SER A 37 3.085 8.772 -3.147 1.00 0.00 H new ATOM 530 N THR A 38 0.645 11.643 0.306 1.00 0.00 N ATOM 531 CA THR A 38 0.324 11.881 1.703 1.00 0.00 C ATOM 532 C THR A 38 -0.058 10.571 2.393 1.00 0.00 C ATOM 533 O THR A 38 -0.708 9.716 1.794 1.00 0.00 O ATOM 534 CB THR A 38 -0.776 12.942 1.761 1.00 0.00 C ATOM 535 OG1 THR A 38 -1.961 12.233 1.409 1.00 0.00 O ATOM 536 CG2 THR A 38 -0.633 13.996 0.661 1.00 0.00 C ATOM 0 H THR A 38 -0.145 11.728 -0.334 1.00 0.00 H new ATOM 0 HA THR A 38 1.189 12.259 2.249 1.00 0.00 H new ATOM 0 HB THR A 38 -0.758 13.430 2.736 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.725 12.846 1.423 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.439 14.725 0.748 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.327 14.502 0.765 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.685 13.513 -0.315 1.00 0.00 H new ATOM 544 N GLY A 39 0.363 10.454 3.644 1.00 0.00 N ATOM 545 CA GLY A 39 0.073 9.262 4.423 1.00 0.00 C ATOM 546 C GLY A 39 -1.368 8.797 4.198 1.00 0.00 C ATOM 547 O GLY A 39 -1.671 7.613 4.335 1.00 0.00 O ATOM 0 H GLY A 39 0.903 11.165 4.137 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.763 8.465 4.146 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.232 9.468 5.482 1.00 0.00 H new ATOM 551 N SER A 40 -2.218 9.755 3.857 1.00 0.00 N ATOM 552 CA SER A 40 -3.620 9.459 3.613 1.00 0.00 C ATOM 553 C SER A 40 -3.776 8.736 2.274 1.00 0.00 C ATOM 554 O SER A 40 -4.472 7.725 2.187 1.00 0.00 O ATOM 555 CB SER A 40 -4.463 10.735 3.628 1.00 0.00 C ATOM 556 OG SER A 40 -5.702 10.565 2.946 1.00 0.00 O ATOM 0 H SER A 40 -1.963 10.736 3.744 1.00 0.00 H new ATOM 0 HA SER A 40 -3.977 8.811 4.413 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.655 11.031 4.660 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.902 11.546 3.163 1.00 0.00 H new ATOM 0 HG SER A 40 -6.211 11.402 2.979 1.00 0.00 H new ATOM 562 N GLU A 41 -3.116 9.281 1.262 1.00 0.00 N ATOM 563 CA GLU A 41 -3.173 8.701 -0.069 1.00 0.00 C ATOM 564 C GLU A 41 -2.895 7.198 -0.004 1.00 0.00 C ATOM 565 O GLU A 41 -3.530 6.415 -0.709 1.00 0.00 O ATOM 566 CB GLU A 41 -2.194 9.400 -1.014 1.00 0.00 C ATOM 567 CG GLU A 41 -2.863 10.579 -1.722 1.00 0.00 C ATOM 568 CD GLU A 41 -1.920 11.210 -2.748 1.00 0.00 C ATOM 569 OE1 GLU A 41 -1.904 10.704 -3.891 1.00 0.00 O ATOM 570 OE2 GLU A 41 -1.235 12.183 -2.366 1.00 0.00 O ATOM 0 H GLU A 41 -2.539 10.119 1.338 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.177 8.848 -0.466 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.329 9.752 -0.452 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.826 8.689 -1.753 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.772 10.241 -2.219 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.160 11.328 -0.988 1.00 0.00 H new ATOM 577 N LEU A 42 -1.945 6.840 0.847 1.00 0.00 N ATOM 578 CA LEU A 42 -1.575 5.445 1.012 1.00 0.00 C ATOM 579 C LEU A 42 -2.838 4.582 1.005 1.00 0.00 C ATOM 580 O LEU A 42 -2.923 3.605 0.263 1.00 0.00 O ATOM 581 CB LEU A 42 -0.713 5.264 2.264 1.00 0.00 C ATOM 582 CG LEU A 42 0.795 5.160 2.031 1.00 0.00 C ATOM 583 CD1 LEU A 42 1.552 5.087 3.359 1.00 0.00 C ATOM 584 CD2 LEU A 42 1.129 3.981 1.115 1.00 0.00 C ATOM 0 H LEU A 42 -1.420 7.492 1.430 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.958 5.113 0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.900 6.103 2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.044 4.363 2.781 1.00 0.00 H new ATOM 0 HG LEU A 42 1.125 6.066 1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.622 5.014 3.164 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.350 5.985 3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.224 4.210 3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.208 3.930 0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.782 3.055 1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.636 4.117 0.153 1.00 0.00 H new ATOM 596 N LYS A 43 -3.789 4.975 1.840 1.00 0.00 N ATOM 597 CA LYS A 43 -5.044 4.250 1.939 1.00 0.00 C ATOM 598 C LYS A 43 -5.588 3.986 0.534 1.00 0.00 C ATOM 599 O LYS A 43 -5.727 2.835 0.124 1.00 0.00 O ATOM 600 CB LYS A 43 -6.024 4.996 2.848 1.00 0.00 C ATOM 601 CG LYS A 43 -5.693 4.759 4.322 1.00 0.00 C ATOM 602 CD LYS A 43 -4.441 5.537 4.735 1.00 0.00 C ATOM 603 CE LYS A 43 -4.328 5.625 6.259 1.00 0.00 C ATOM 604 NZ LYS A 43 -3.076 6.311 6.647 1.00 0.00 N ATOM 0 H LYS A 43 -3.715 5.786 2.454 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.886 3.279 2.408 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.987 6.063 2.630 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.042 4.664 2.642 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.536 5.065 4.941 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.538 3.694 4.497 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.555 5.049 4.329 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.476 6.540 4.311 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.185 6.164 6.663 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.350 4.624 6.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.274 6.991 7.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.385 5.609 6.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.687 6.815 5.825 1.00 0.00 H new ATOM 618 N GLN A 44 -5.883 5.072 -0.166 1.00 0.00 N ATOM 619 CA GLN A 44 -6.408 4.973 -1.517 1.00 0.00 C ATOM 620 C GLN A 44 -5.394 4.285 -2.432 1.00 0.00 C ATOM 621 O GLN A 44 -5.752 3.785 -3.498 1.00 0.00 O ATOM 622 CB GLN A 44 -6.790 6.351 -2.060 1.00 0.00 C ATOM 623 CG GLN A 44 -7.996 6.921 -1.311 1.00 0.00 C ATOM 624 CD GLN A 44 -8.539 8.167 -2.013 1.00 0.00 C ATOM 625 OE1 GLN A 44 -8.358 8.370 -3.202 1.00 0.00 O ATOM 626 NE2 GLN A 44 -9.214 8.988 -1.213 1.00 0.00 N ATOM 0 H GLN A 44 -5.768 6.025 0.178 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.313 4.366 -1.490 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.943 7.031 -1.964 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.020 6.276 -3.123 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.779 6.165 -1.247 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.709 7.171 -0.289 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.329 8.758 -0.226 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.617 9.847 -1.587 1.00 0.00 H new ATOM 635 N LYS A 45 -4.147 4.280 -1.983 1.00 0.00 N ATOM 636 CA LYS A 45 -3.078 3.662 -2.748 1.00 0.00 C ATOM 637 C LYS A 45 -3.089 2.151 -2.503 1.00 0.00 C ATOM 638 O LYS A 45 -2.708 1.374 -3.377 1.00 0.00 O ATOM 639 CB LYS A 45 -1.737 4.327 -2.430 1.00 0.00 C ATOM 640 CG LYS A 45 -1.087 4.884 -3.698 1.00 0.00 C ATOM 641 CD LYS A 45 -2.058 5.789 -4.459 1.00 0.00 C ATOM 642 CE LYS A 45 -1.393 7.116 -4.830 1.00 0.00 C ATOM 643 NZ LYS A 45 -1.512 7.368 -6.284 1.00 0.00 N ATOM 0 H LYS A 45 -3.854 4.695 -1.098 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.237 3.814 -3.816 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.888 5.132 -1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.070 3.603 -1.963 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.191 5.446 -3.435 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.771 4.062 -4.340 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.399 5.284 -5.363 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.940 5.978 -3.847 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.858 7.930 -4.275 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.342 7.095 -4.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.055 8.273 -6.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.047 6.600 -6.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.517 7.409 -6.548 1.00 0.00 H new ATOM 657 N ILE A 46 -3.530 1.781 -1.310 1.00 0.00 N ATOM 658 CA ILE A 46 -3.596 0.378 -0.938 1.00 0.00 C ATOM 659 C ILE A 46 -4.972 -0.180 -1.309 1.00 0.00 C ATOM 660 O ILE A 46 -5.083 -1.318 -1.762 1.00 0.00 O ATOM 661 CB ILE A 46 -3.237 0.197 0.538 1.00 0.00 C ATOM 662 CG1 ILE A 46 -1.994 1.011 0.904 1.00 0.00 C ATOM 663 CG2 ILE A 46 -3.075 -1.284 0.885 1.00 0.00 C ATOM 664 CD1 ILE A 46 -2.192 1.747 2.230 1.00 0.00 C ATOM 0 H ILE A 46 -3.845 2.429 -0.588 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.857 -0.198 -1.495 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.061 0.580 1.140 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.130 0.350 0.976 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.780 1.730 0.113 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.820 -1.385 1.940 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.009 -1.809 0.686 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.280 -1.715 0.277 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.294 2.318 2.467 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.041 2.425 2.147 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.382 1.024 3.023 1.00 0.00 H new ATOM 676 N HIS A 47 -5.986 0.648 -1.104 1.00 0.00 N ATOM 677 CA HIS A 47 -7.349 0.252 -1.411 1.00 0.00 C ATOM 678 C HIS A 47 -7.488 0.016 -2.916 1.00 0.00 C ATOM 679 O HIS A 47 -8.282 -0.820 -3.346 1.00 0.00 O ATOM 680 CB HIS A 47 -8.347 1.283 -0.878 1.00 0.00 C ATOM 681 CG HIS A 47 -9.538 1.507 -1.779 1.00 0.00 C ATOM 682 ND1 HIS A 47 -9.777 2.709 -2.421 1.00 0.00 N ATOM 683 CD2 HIS A 47 -10.554 0.670 -2.138 1.00 0.00 C ATOM 684 CE1 HIS A 47 -10.890 2.590 -3.131 1.00 0.00 C ATOM 685 NE2 HIS A 47 -11.370 1.326 -2.954 1.00 0.00 N ATOM 0 H HIS A 47 -5.890 1.592 -0.729 1.00 0.00 H new ATOM 0 HA HIS A 47 -7.581 -0.687 -0.908 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -8.701 0.959 0.101 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -7.831 2.232 -0.732 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -10.674 -0.353 -1.813 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -11.338 3.359 -3.742 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -12.216 0.947 -3.379 1.00 0.00 H new ATOM 693 N SER A 48 -6.704 0.766 -3.676 1.00 0.00 N ATOM 694 CA SER A 48 -6.730 0.649 -5.124 1.00 0.00 C ATOM 695 C SER A 48 -6.177 -0.714 -5.548 1.00 0.00 C ATOM 696 O SER A 48 -6.314 -1.110 -6.704 1.00 0.00 O ATOM 697 CB SER A 48 -5.930 1.774 -5.782 1.00 0.00 C ATOM 698 OG SER A 48 -6.776 2.736 -6.407 1.00 0.00 O ATOM 0 H SER A 48 -6.046 1.458 -3.316 1.00 0.00 H new ATOM 0 HA SER A 48 -7.765 0.734 -5.456 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.313 2.267 -5.031 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.252 1.351 -6.524 1.00 0.00 H new ATOM 0 HG SER A 48 -6.227 3.439 -6.814 1.00 0.00 H new ATOM 704 N ILE A 49 -5.565 -1.393 -4.589 1.00 0.00 N ATOM 705 CA ILE A 49 -4.991 -2.702 -4.848 1.00 0.00 C ATOM 706 C ILE A 49 -5.754 -3.757 -4.045 1.00 0.00 C ATOM 707 O ILE A 49 -6.337 -4.677 -4.617 1.00 0.00 O ATOM 708 CB ILE A 49 -3.486 -2.691 -4.575 1.00 0.00 C ATOM 709 CG1 ILE A 49 -2.897 -1.298 -4.806 1.00 0.00 C ATOM 710 CG2 ILE A 49 -2.770 -3.761 -5.403 1.00 0.00 C ATOM 711 CD1 ILE A 49 -1.411 -1.264 -4.443 1.00 0.00 C ATOM 0 H ILE A 49 -5.454 -1.061 -3.631 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.098 -2.963 -5.901 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.328 -2.937 -3.525 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.027 -1.013 -5.850 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.438 -0.566 -4.206 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.701 -3.731 -5.190 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.164 -4.744 -5.146 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.934 -3.570 -6.464 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.017 -0.263 -4.616 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.287 -1.526 -3.392 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.869 -1.979 -5.061 1.00 0.00 H new ATOM 723 N THR A 50 -5.727 -3.588 -2.731 1.00 0.00 N ATOM 724 CA THR A 50 -6.409 -4.515 -1.843 1.00 0.00 C ATOM 725 C THR A 50 -7.873 -4.671 -2.258 1.00 0.00 C ATOM 726 O THR A 50 -8.447 -5.751 -2.128 1.00 0.00 O ATOM 727 CB THR A 50 -6.234 -4.010 -0.409 1.00 0.00 C ATOM 728 OG1 THR A 50 -6.609 -2.637 -0.476 1.00 0.00 O ATOM 729 CG2 THR A 50 -4.767 -3.975 0.025 1.00 0.00 C ATOM 0 H THR A 50 -5.244 -2.823 -2.260 1.00 0.00 H new ATOM 0 HA THR A 50 -5.978 -5.514 -1.906 1.00 0.00 H new ATOM 0 HB THR A 50 -6.798 -4.648 0.271 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.806 -2.082 -0.560 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.699 -3.609 1.050 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.347 -4.979 -0.030 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.208 -3.311 -0.635 1.00 0.00 H new ATOM 737 N GLY A 51 -8.435 -3.576 -2.749 1.00 0.00 N ATOM 738 CA GLY A 51 -9.822 -3.578 -3.184 1.00 0.00 C ATOM 739 C GLY A 51 -10.771 -3.456 -1.990 1.00 0.00 C ATOM 740 O GLY A 51 -11.983 -3.340 -2.166 1.00 0.00 O ATOM 0 H GLY A 51 -7.956 -2.682 -2.855 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.992 -2.751 -3.874 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.034 -4.497 -3.730 1.00 0.00 H new ATOM 744 N LEU A 52 -10.184 -3.486 -0.803 1.00 0.00 N ATOM 745 CA LEU A 52 -10.962 -3.380 0.419 1.00 0.00 C ATOM 746 C LEU A 52 -11.098 -1.906 0.807 1.00 0.00 C ATOM 747 O LEU A 52 -10.406 -1.050 0.257 1.00 0.00 O ATOM 748 CB LEU A 52 -10.353 -4.252 1.520 1.00 0.00 C ATOM 749 CG LEU A 52 -9.529 -3.516 2.578 1.00 0.00 C ATOM 750 CD1 LEU A 52 -9.734 -4.137 3.962 1.00 0.00 C ATOM 751 CD2 LEU A 52 -8.051 -3.467 2.186 1.00 0.00 C ATOM 0 H LEU A 52 -9.178 -3.582 -0.662 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.970 -3.763 0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.160 -4.785 2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.718 -5.004 1.051 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.883 -2.486 2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.137 -3.595 4.696 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.787 -4.077 4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.424 -5.182 3.942 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.488 -2.938 2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.667 -4.482 2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.944 -2.945 1.235 1.00 0.00 H new ATOM 763 N PRO A 53 -12.018 -1.648 1.775 1.00 0.00 N ATOM 764 CA PRO A 53 -12.253 -0.293 2.242 1.00 0.00 C ATOM 765 C PRO A 53 -11.115 0.180 3.149 1.00 0.00 C ATOM 766 O PRO A 53 -10.561 -0.606 3.916 1.00 0.00 O ATOM 767 CB PRO A 53 -13.595 -0.349 2.953 1.00 0.00 C ATOM 768 CG PRO A 53 -13.842 -1.816 3.262 1.00 0.00 C ATOM 769 CD PRO A 53 -12.855 -2.637 2.447 1.00 0.00 C ATOM 0 HA PRO A 53 -12.278 0.433 1.430 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -13.578 0.245 3.867 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -14.387 0.056 2.324 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -13.711 -2.009 4.327 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -14.866 -2.092 3.011 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -12.261 -3.291 3.086 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -13.369 -3.275 1.728 1.00 0.00 H new ATOM 777 N PRO A 54 -10.792 1.495 3.028 1.00 0.00 N ATOM 778 CA PRO A 54 -9.730 2.082 3.828 1.00 0.00 C ATOM 779 C PRO A 54 -10.184 2.290 5.274 1.00 0.00 C ATOM 780 O PRO A 54 -9.377 2.213 6.199 1.00 0.00 O ATOM 781 CB PRO A 54 -9.378 3.381 3.122 1.00 0.00 C ATOM 782 CG PRO A 54 -10.562 3.702 2.225 1.00 0.00 C ATOM 783 CD PRO A 54 -11.426 2.456 2.130 1.00 0.00 C ATOM 0 HA PRO A 54 -8.855 1.437 3.905 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.204 4.182 3.841 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.464 3.273 2.538 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.136 4.534 2.633 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.220 4.006 1.236 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.453 2.662 2.432 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.464 2.078 1.108 1.00 0.00 H new ATOM 791 N ALA A 55 -11.474 2.551 5.423 1.00 0.00 N ATOM 792 CA ALA A 55 -12.046 2.771 6.741 1.00 0.00 C ATOM 793 C ALA A 55 -11.757 1.558 7.627 1.00 0.00 C ATOM 794 O ALA A 55 -11.602 1.693 8.840 1.00 0.00 O ATOM 795 CB ALA A 55 -13.544 3.052 6.608 1.00 0.00 C ATOM 0 H ALA A 55 -12.140 2.615 4.653 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.592 3.641 7.215 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.972 3.217 7.597 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.694 3.940 5.995 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.034 2.199 6.138 1.00 0.00 H new ATOM 801 N MET A 56 -11.693 0.400 6.987 1.00 0.00 N ATOM 802 CA MET A 56 -11.425 -0.837 7.702 1.00 0.00 C ATOM 803 C MET A 56 -9.989 -1.308 7.463 1.00 0.00 C ATOM 804 O MET A 56 -9.712 -2.506 7.495 1.00 0.00 O ATOM 805 CB MET A 56 -12.401 -1.918 7.235 1.00 0.00 C ATOM 806 CG MET A 56 -13.497 -2.155 8.277 1.00 0.00 C ATOM 807 SD MET A 56 -13.028 -3.492 9.362 1.00 0.00 S ATOM 808 CE MET A 56 -13.650 -4.881 8.429 1.00 0.00 C ATOM 0 H MET A 56 -11.822 0.292 5.981 1.00 0.00 H new ATOM 0 HA MET A 56 -11.555 -0.654 8.769 1.00 0.00 H new ATOM 0 HB2 MET A 56 -12.852 -1.621 6.288 1.00 0.00 H new ATOM 0 HB3 MET A 56 -11.860 -2.847 7.053 1.00 0.00 H new ATOM 0 HG2 MET A 56 -13.662 -1.247 8.856 1.00 0.00 H new ATOM 0 HG3 MET A 56 -14.438 -2.392 7.780 1.00 0.00 H new ATOM 0 HE1 MET A 56 -13.439 -5.805 8.968 1.00 0.00 H new ATOM 0 HE2 MET A 56 -14.727 -4.776 8.295 1.00 0.00 H new ATOM 0 HE3 MET A 56 -13.164 -4.911 7.454 1.00 0.00 H new ATOM 818 N GLN A 57 -9.114 -0.341 7.230 1.00 0.00 N ATOM 819 CA GLN A 57 -7.713 -0.642 6.986 1.00 0.00 C ATOM 820 C GLN A 57 -6.849 -0.106 8.129 1.00 0.00 C ATOM 821 O GLN A 57 -7.234 0.842 8.812 1.00 0.00 O ATOM 822 CB GLN A 57 -7.257 -0.075 5.641 1.00 0.00 C ATOM 823 CG GLN A 57 -7.406 -1.114 4.529 1.00 0.00 C ATOM 824 CD GLN A 57 -6.476 -0.799 3.355 1.00 0.00 C ATOM 825 OE1 GLN A 57 -5.262 -0.849 3.460 1.00 0.00 O ATOM 826 NE2 GLN A 57 -7.112 -0.471 2.234 1.00 0.00 N ATOM 0 H GLN A 57 -9.348 0.652 7.205 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.595 -1.725 6.945 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.845 0.810 5.398 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.216 0.242 5.710 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.180 -2.106 4.921 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.439 -1.136 4.183 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -8.132 -0.448 2.214 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -6.580 -0.242 1.394 1.00 0.00 H new ATOM 835 N LYS A 58 -5.696 -0.736 8.302 1.00 0.00 N ATOM 836 CA LYS A 58 -4.773 -0.334 9.351 1.00 0.00 C ATOM 837 C LYS A 58 -3.380 -0.136 8.750 1.00 0.00 C ATOM 838 O LYS A 58 -2.595 -1.080 8.669 1.00 0.00 O ATOM 839 CB LYS A 58 -4.808 -1.335 10.507 1.00 0.00 C ATOM 840 CG LYS A 58 -5.103 -0.631 11.833 1.00 0.00 C ATOM 841 CD LYS A 58 -3.910 0.217 12.280 1.00 0.00 C ATOM 842 CE LYS A 58 -4.350 1.307 13.260 1.00 0.00 C ATOM 843 NZ LYS A 58 -3.255 2.279 13.478 1.00 0.00 N ATOM 0 H LYS A 58 -5.380 -1.522 7.734 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.075 0.622 9.779 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.569 -2.091 10.315 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.852 -1.855 10.572 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.984 0.002 11.725 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.335 -1.372 12.599 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.162 -0.421 12.751 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.437 0.674 11.410 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.229 1.821 12.871 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.639 0.856 14.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.439 2.821 14.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.353 1.770 13.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.203 2.930 12.669 1.00 0.00 H new ATOM 857 N VAL A 59 -3.116 1.097 8.344 1.00 0.00 N ATOM 858 CA VAL A 59 -1.831 1.430 7.753 1.00 0.00 C ATOM 859 C VAL A 59 -0.817 1.702 8.867 1.00 0.00 C ATOM 860 O VAL A 59 -0.951 2.674 9.609 1.00 0.00 O ATOM 861 CB VAL A 59 -1.988 2.607 6.788 1.00 0.00 C ATOM 862 CG1 VAL A 59 -0.726 2.797 5.945 1.00 0.00 C ATOM 863 CG2 VAL A 59 -3.220 2.426 5.899 1.00 0.00 C ATOM 0 H VAL A 59 -3.769 1.877 8.413 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.453 0.593 7.166 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.133 3.510 7.381 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.864 3.640 5.268 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.123 2.993 6.600 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.536 1.893 5.366 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.309 3.276 5.223 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.118 1.509 5.318 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.112 2.364 6.522 1.00 0.00 H new ATOM 873 N MET A 60 0.173 0.826 8.948 1.00 0.00 N ATOM 874 CA MET A 60 1.209 0.959 9.959 1.00 0.00 C ATOM 875 C MET A 60 2.533 0.369 9.468 1.00 0.00 C ATOM 876 O MET A 60 2.607 -0.815 9.143 1.00 0.00 O ATOM 877 CB MET A 60 0.772 0.239 11.236 1.00 0.00 C ATOM 878 CG MET A 60 0.225 1.230 12.264 1.00 0.00 C ATOM 879 SD MET A 60 0.060 0.434 13.853 1.00 0.00 S ATOM 880 CE MET A 60 1.782 0.214 14.270 1.00 0.00 C ATOM 0 H MET A 60 0.280 0.021 8.330 1.00 0.00 H new ATOM 0 HA MET A 60 1.358 2.019 10.162 1.00 0.00 H new ATOM 0 HB2 MET A 60 0.008 -0.501 10.997 1.00 0.00 H new ATOM 0 HB3 MET A 60 1.618 -0.301 11.661 1.00 0.00 H new ATOM 0 HG2 MET A 60 0.893 2.088 12.345 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.743 1.610 11.936 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.926 0.403 15.334 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.085 -0.807 14.039 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.388 0.912 13.692 1.00 0.00 H new ATOM 890 N TYR A 61 3.545 1.223 9.429 1.00 0.00 N ATOM 891 CA TYR A 61 4.862 0.802 8.983 1.00 0.00 C ATOM 892 C TYR A 61 5.933 1.168 10.013 1.00 0.00 C ATOM 893 O TYR A 61 6.334 2.326 10.112 1.00 0.00 O ATOM 894 CB TYR A 61 5.135 1.569 7.688 1.00 0.00 C ATOM 895 CG TYR A 61 6.606 1.579 7.268 1.00 0.00 C ATOM 896 CD1 TYR A 61 7.348 0.416 7.326 1.00 0.00 C ATOM 897 CD2 TYR A 61 7.191 2.749 6.830 1.00 0.00 C ATOM 898 CE1 TYR A 61 8.733 0.426 6.931 1.00 0.00 C ATOM 899 CE2 TYR A 61 8.575 2.759 6.435 1.00 0.00 C ATOM 900 CZ TYR A 61 9.278 1.596 6.505 1.00 0.00 C ATOM 901 OH TYR A 61 10.586 1.605 6.131 1.00 0.00 O ATOM 0 H TYR A 61 3.479 2.204 9.699 1.00 0.00 H new ATOM 0 HA TYR A 61 4.892 -0.279 8.843 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.542 1.130 6.886 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.795 2.598 7.809 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.890 -0.501 7.667 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.610 3.658 6.783 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.325 -0.476 6.972 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.045 3.669 6.091 1.00 0.00 H new ATOM 0 HH TYR A 61 10.839 2.509 5.848 1.00 0.00 H new ATOM 911 N LYS A 62 6.366 0.158 10.754 1.00 0.00 N ATOM 912 CA LYS A 62 7.382 0.359 11.773 1.00 0.00 C ATOM 913 C LYS A 62 6.979 1.536 12.664 1.00 0.00 C ATOM 914 O LYS A 62 7.829 2.158 13.299 1.00 0.00 O ATOM 915 CB LYS A 62 8.761 0.519 11.130 1.00 0.00 C ATOM 916 CG LYS A 62 9.250 -0.808 10.545 1.00 0.00 C ATOM 917 CD LYS A 62 10.760 -0.969 10.739 1.00 0.00 C ATOM 918 CE LYS A 62 11.518 -0.617 9.458 1.00 0.00 C ATOM 919 NZ LYS A 62 12.384 -1.742 9.042 1.00 0.00 N ATOM 0 H LYS A 62 6.032 -0.802 10.669 1.00 0.00 H new ATOM 0 HA LYS A 62 7.455 -0.518 12.416 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.714 1.272 10.343 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.473 0.878 11.873 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.728 -1.636 11.025 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.009 -0.852 9.483 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.096 -0.327 11.553 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.986 -1.995 11.029 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.810 -0.382 8.663 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.123 0.275 9.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.891 -1.486 8.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.071 -1.948 9.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.799 -2.584 8.867 1.00 0.00 H new ATOM 933 N GLY A 63 5.682 1.805 12.682 1.00 0.00 N ATOM 934 CA GLY A 63 5.156 2.896 13.485 1.00 0.00 C ATOM 935 C GLY A 63 3.914 3.508 12.833 1.00 0.00 C ATOM 936 O GLY A 63 3.711 3.372 11.627 1.00 0.00 O ATOM 0 H GLY A 63 4.980 1.287 12.154 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.906 2.531 14.481 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.921 3.662 13.609 1.00 0.00 H new ATOM 940 N LEU A 64 3.115 4.168 13.659 1.00 0.00 N ATOM 941 CA LEU A 64 1.899 4.800 13.177 1.00 0.00 C ATOM 942 C LEU A 64 2.239 5.725 12.007 1.00 0.00 C ATOM 943 O LEU A 64 3.247 6.429 12.040 1.00 0.00 O ATOM 944 CB LEU A 64 1.170 5.503 14.325 1.00 0.00 C ATOM 945 CG LEU A 64 0.435 4.592 15.309 1.00 0.00 C ATOM 946 CD1 LEU A 64 -1.000 4.331 14.847 1.00 0.00 C ATOM 947 CD2 LEU A 64 1.209 3.292 15.538 1.00 0.00 C ATOM 0 H LEU A 64 3.286 4.279 14.658 1.00 0.00 H new ATOM 0 HA LEU A 64 1.204 4.050 12.799 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.896 6.095 14.882 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.449 6.201 13.898 1.00 0.00 H new ATOM 0 HG LEU A 64 0.376 5.104 16.269 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.501 3.681 15.564 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.538 5.277 14.778 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.986 3.850 13.869 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.664 2.663 16.242 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.321 2.764 14.591 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.194 3.522 15.944 1.00 0.00 H new ATOM 959 N VAL A 65 1.378 5.694 11.000 1.00 0.00 N ATOM 960 CA VAL A 65 1.575 6.521 9.822 1.00 0.00 C ATOM 961 C VAL A 65 0.567 7.672 9.838 1.00 0.00 C ATOM 962 O VAL A 65 -0.621 7.465 9.594 1.00 0.00 O ATOM 963 CB VAL A 65 1.481 5.662 8.559 1.00 0.00 C ATOM 964 CG1 VAL A 65 1.174 6.523 7.332 1.00 0.00 C ATOM 965 CG2 VAL A 65 2.762 4.851 8.352 1.00 0.00 C ATOM 0 H VAL A 65 0.543 5.109 10.976 1.00 0.00 H new ATOM 0 HA VAL A 65 2.572 6.962 9.827 1.00 0.00 H new ATOM 0 HB VAL A 65 0.657 4.961 8.691 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.113 5.888 6.448 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.224 7.037 7.477 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.967 7.258 7.196 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.669 4.249 7.448 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.610 5.529 8.251 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.921 4.196 9.209 1.00 0.00 H new ATOM 975 N PRO A 66 1.091 8.891 10.135 1.00 0.00 N ATOM 976 CA PRO A 66 0.251 10.075 10.186 1.00 0.00 C ATOM 977 C PRO A 66 -0.125 10.542 8.779 1.00 0.00 C ATOM 978 O PRO A 66 0.723 10.588 7.889 1.00 0.00 O ATOM 979 CB PRO A 66 1.065 11.103 10.955 1.00 0.00 C ATOM 980 CG PRO A 66 2.505 10.618 10.902 1.00 0.00 C ATOM 981 CD PRO A 66 2.493 9.173 10.430 1.00 0.00 C ATOM 0 HA PRO A 66 -0.703 9.892 10.680 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.969 12.092 10.507 1.00 0.00 H new ATOM 0 HB3 PRO A 66 0.718 11.185 11.985 1.00 0.00 H new ATOM 0 HG2 PRO A 66 3.091 11.237 10.223 1.00 0.00 H new ATOM 0 HG3 PRO A 66 2.970 10.695 11.885 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.118 9.040 9.547 1.00 0.00 H new ATOM 0 HD3 PRO A 66 2.879 8.502 11.198 1.00 0.00 H new ATOM 989 N GLU A 67 -1.398 10.876 8.620 1.00 0.00 N ATOM 990 CA GLU A 67 -1.896 11.337 7.336 1.00 0.00 C ATOM 991 C GLU A 67 -1.558 12.816 7.136 1.00 0.00 C ATOM 992 O GLU A 67 -1.629 13.327 6.019 1.00 0.00 O ATOM 993 CB GLU A 67 -3.402 11.097 7.214 1.00 0.00 C ATOM 994 CG GLU A 67 -3.709 9.607 7.059 1.00 0.00 C ATOM 995 CD GLU A 67 -5.186 9.382 6.726 1.00 0.00 C ATOM 996 OE1 GLU A 67 -5.991 10.264 7.096 1.00 0.00 O ATOM 997 OE2 GLU A 67 -5.476 8.335 6.109 1.00 0.00 O ATOM 0 H GLU A 67 -2.099 10.836 9.360 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.405 10.763 6.550 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.909 11.486 8.097 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.793 11.644 6.356 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.086 9.184 6.271 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.456 9.082 7.980 1.00 0.00 H new ATOM 1004 N ASP A 68 -1.199 13.462 8.235 1.00 0.00 N ATOM 1005 CA ASP A 68 -0.850 14.872 8.195 1.00 0.00 C ATOM 1006 C ASP A 68 0.588 15.023 7.694 1.00 0.00 C ATOM 1007 O ASP A 68 1.071 16.139 7.511 1.00 0.00 O ATOM 1008 CB ASP A 68 -0.934 15.501 9.587 1.00 0.00 C ATOM 1009 CG ASP A 68 -2.155 16.393 9.821 1.00 0.00 C ATOM 1010 OD1 ASP A 68 -3.238 16.014 9.325 1.00 0.00 O ATOM 1011 OD2 ASP A 68 -1.978 17.433 10.490 1.00 0.00 O ATOM 0 H ASP A 68 -1.142 13.035 9.160 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.553 15.374 7.530 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.938 14.703 10.330 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.034 16.091 9.757 1.00 0.00 H new ATOM 1016 N LYS A 69 1.231 13.884 7.486 1.00 0.00 N ATOM 1017 CA LYS A 69 2.604 13.875 7.010 1.00 0.00 C ATOM 1018 C LYS A 69 2.732 12.883 5.852 1.00 0.00 C ATOM 1019 O LYS A 69 2.145 11.802 5.889 1.00 0.00 O ATOM 1020 CB LYS A 69 3.570 13.601 8.164 1.00 0.00 C ATOM 1021 CG LYS A 69 3.405 14.640 9.275 1.00 0.00 C ATOM 1022 CD LYS A 69 4.669 15.489 9.423 1.00 0.00 C ATOM 1023 CE LYS A 69 4.318 16.967 9.608 1.00 0.00 C ATOM 1024 NZ LYS A 69 4.172 17.289 11.045 1.00 0.00 N ATOM 0 H LYS A 69 0.827 12.960 7.638 1.00 0.00 H new ATOM 0 HA LYS A 69 2.878 14.856 6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.390 12.603 8.564 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.596 13.617 7.796 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.554 15.284 9.052 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.187 14.138 10.218 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.248 15.139 10.278 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.298 15.368 8.541 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.096 17.590 9.167 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.391 17.195 9.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.934 18.296 11.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.414 16.708 11.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.066 17.090 11.538 1.00 0.00 H new ATOM 1038 N THR A 70 3.501 13.286 4.852 1.00 0.00 N ATOM 1039 CA THR A 70 3.713 12.446 3.686 1.00 0.00 C ATOM 1040 C THR A 70 4.710 11.330 4.006 1.00 0.00 C ATOM 1041 O THR A 70 5.400 11.382 5.024 1.00 0.00 O ATOM 1042 CB THR A 70 4.158 13.344 2.530 1.00 0.00 C ATOM 1043 OG1 THR A 70 5.375 13.926 2.991 1.00 0.00 O ATOM 1044 CG2 THR A 70 3.227 14.541 2.326 1.00 0.00 C ATOM 0 H THR A 70 3.985 14.183 4.825 1.00 0.00 H new ATOM 0 HA THR A 70 2.793 11.942 3.390 1.00 0.00 H new ATOM 0 HB THR A 70 4.202 12.758 1.612 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.734 14.523 2.301 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.588 15.145 1.494 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.220 14.186 2.106 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.208 15.146 3.232 1.00 0.00 H new ATOM 1052 N LEU A 71 4.754 10.347 3.119 1.00 0.00 N ATOM 1053 CA LEU A 71 5.655 9.220 3.295 1.00 0.00 C ATOM 1054 C LEU A 71 7.068 9.740 3.565 1.00 0.00 C ATOM 1055 O LEU A 71 7.645 9.465 4.616 1.00 0.00 O ATOM 1056 CB LEU A 71 5.567 8.272 2.097 1.00 0.00 C ATOM 1057 CG LEU A 71 4.164 7.786 1.728 1.00 0.00 C ATOM 1058 CD1 LEU A 71 3.947 7.834 0.215 1.00 0.00 C ATOM 1059 CD2 LEU A 71 3.899 6.392 2.301 1.00 0.00 C ATOM 0 H LEU A 71 4.181 10.307 2.276 1.00 0.00 H new ATOM 0 HA LEU A 71 5.361 8.629 4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.996 8.774 1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.190 7.401 2.302 1.00 0.00 H new ATOM 0 HG LEU A 71 3.438 8.463 2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.942 7.483 -0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.065 8.859 -0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.679 7.194 -0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.895 6.070 2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.629 5.689 1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.984 6.423 3.387 1.00 0.00 H new ATOM 1071 N ARG A 72 7.586 10.483 2.598 1.00 0.00 N ATOM 1072 CA ARG A 72 8.921 11.044 2.718 1.00 0.00 C ATOM 1073 C ARG A 72 9.036 11.870 4.001 1.00 0.00 C ATOM 1074 O ARG A 72 10.140 12.146 4.469 1.00 0.00 O ATOM 1075 CB ARG A 72 9.256 11.931 1.517 1.00 0.00 C ATOM 1076 CG ARG A 72 10.736 12.320 1.519 1.00 0.00 C ATOM 1077 CD ARG A 72 10.922 13.773 1.078 1.00 0.00 C ATOM 1078 NE ARG A 72 12.105 13.888 0.197 1.00 0.00 N ATOM 1079 CZ ARG A 72 13.371 13.771 0.620 1.00 0.00 C ATOM 1080 NH1 ARG A 72 13.626 13.535 1.914 1.00 0.00 N ATOM 1081 NH2 ARG A 72 14.382 13.889 -0.252 1.00 0.00 N ATOM 0 H ARG A 72 7.105 10.710 1.728 1.00 0.00 H new ATOM 0 HA ARG A 72 9.627 10.215 2.751 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.016 11.405 0.593 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.640 12.830 1.541 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.150 12.184 2.518 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.290 11.660 0.852 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.032 14.119 0.552 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.045 14.414 1.951 1.00 0.00 H new ATOM 0 HE ARG A 72 11.947 14.068 -0.795 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.856 13.444 2.577 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.590 13.446 2.236 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.188 14.068 -1.237 1.00 0.00 H new ATOM 0 HH22 ARG A 72 15.346 13.800 0.070 1.00 0.00 H new ATOM 1095 N GLU A 73 7.881 12.241 4.533 1.00 0.00 N ATOM 1096 CA GLU A 73 7.838 13.030 5.753 1.00 0.00 C ATOM 1097 C GLU A 73 7.818 12.113 6.978 1.00 0.00 C ATOM 1098 O GLU A 73 8.516 12.366 7.958 1.00 0.00 O ATOM 1099 CB GLU A 73 6.633 13.973 5.754 1.00 0.00 C ATOM 1100 CG GLU A 73 7.003 15.335 5.164 1.00 0.00 C ATOM 1101 CD GLU A 73 6.036 16.420 5.642 1.00 0.00 C ATOM 1102 OE1 GLU A 73 4.937 16.501 5.053 1.00 0.00 O ATOM 1103 OE2 GLU A 73 6.417 17.144 6.587 1.00 0.00 O ATOM 0 H GLU A 73 6.968 12.010 4.142 1.00 0.00 H new ATOM 0 HA GLU A 73 8.738 13.644 5.798 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.820 13.531 5.177 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.268 14.101 6.773 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.021 15.597 5.454 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.985 15.281 4.075 1.00 0.00 H new ATOM 1110 N ILE A 74 7.011 11.067 6.881 1.00 0.00 N ATOM 1111 CA ILE A 74 6.891 10.111 7.969 1.00 0.00 C ATOM 1112 C ILE A 74 8.127 9.209 7.988 1.00 0.00 C ATOM 1113 O ILE A 74 8.262 8.354 8.861 1.00 0.00 O ATOM 1114 CB ILE A 74 5.571 9.344 7.864 1.00 0.00 C ATOM 1115 CG1 ILE A 74 5.662 8.238 6.811 1.00 0.00 C ATOM 1116 CG2 ILE A 74 4.403 10.296 7.598 1.00 0.00 C ATOM 1117 CD1 ILE A 74 5.582 6.855 7.459 1.00 0.00 C ATOM 0 H ILE A 74 6.434 10.860 6.066 1.00 0.00 H new ATOM 0 HA ILE A 74 6.858 10.627 8.929 1.00 0.00 H new ATOM 0 HB ILE A 74 5.379 8.861 8.822 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.854 8.352 6.088 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.598 8.332 6.260 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.477 9.725 7.528 1.00 0.00 H new ATOM 0 HG22 ILE A 74 4.326 11.014 8.414 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.573 10.828 6.662 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.649 6.087 6.688 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.405 6.735 8.163 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.634 6.756 7.988 1.00 0.00 H new ATOM 1129 N LYS A 75 8.997 9.431 7.014 1.00 0.00 N ATOM 1130 CA LYS A 75 10.218 8.649 6.908 1.00 0.00 C ATOM 1131 C LYS A 75 9.927 7.361 6.136 1.00 0.00 C ATOM 1132 O LYS A 75 9.695 6.312 6.736 1.00 0.00 O ATOM 1133 CB LYS A 75 10.824 8.413 8.293 1.00 0.00 C ATOM 1134 CG LYS A 75 10.723 9.671 9.158 1.00 0.00 C ATOM 1135 CD LYS A 75 11.929 9.794 10.092 1.00 0.00 C ATOM 1136 CE LYS A 75 11.995 11.186 10.722 1.00 0.00 C ATOM 1137 NZ LYS A 75 12.914 11.187 11.882 1.00 0.00 N ATOM 0 H LYS A 75 8.881 10.141 6.291 1.00 0.00 H new ATOM 0 HA LYS A 75 10.974 9.195 6.344 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.308 7.588 8.784 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.869 8.120 8.191 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.662 10.552 8.519 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.805 9.640 9.746 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.865 9.039 10.876 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.846 9.599 9.536 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.334 11.911 9.982 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.999 11.496 11.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.947 12.140 12.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.574 10.510 12.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.867 10.912 11.570 1.00 0.00 H new ATOM 1151 N VAL A 76 9.949 7.481 4.817 1.00 0.00 N ATOM 1152 CA VAL A 76 9.691 6.339 3.957 1.00 0.00 C ATOM 1153 C VAL A 76 10.704 6.331 2.810 1.00 0.00 C ATOM 1154 O VAL A 76 11.127 7.387 2.343 1.00 0.00 O ATOM 1155 CB VAL A 76 8.240 6.366 3.473 1.00 0.00 C ATOM 1156 CG1 VAL A 76 7.995 5.288 2.416 1.00 0.00 C ATOM 1157 CG2 VAL A 76 7.268 6.216 4.645 1.00 0.00 C ATOM 0 H VAL A 76 10.142 8.352 4.323 1.00 0.00 H new ATOM 0 HA VAL A 76 9.818 5.408 4.509 1.00 0.00 H new ATOM 0 HB VAL A 76 8.059 7.336 3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.956 5.329 2.089 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.651 5.459 1.563 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.203 4.307 2.842 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.244 6.238 4.273 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.450 5.267 5.150 1.00 0.00 H new ATOM 0 HG23 VAL A 76 7.417 7.035 5.348 1.00 0.00 H new ATOM 1167 N THR A 77 11.063 5.127 2.389 1.00 0.00 N ATOM 1168 CA THR A 77 12.018 4.967 1.306 1.00 0.00 C ATOM 1169 C THR A 77 11.657 3.750 0.451 1.00 0.00 C ATOM 1170 O THR A 77 10.607 3.139 0.647 1.00 0.00 O ATOM 1171 CB THR A 77 13.418 4.885 1.918 1.00 0.00 C ATOM 1172 OG1 THR A 77 13.234 4.116 3.103 1.00 0.00 O ATOM 1173 CG2 THR A 77 13.915 6.241 2.426 1.00 0.00 C ATOM 0 H THR A 77 10.710 4.253 2.779 1.00 0.00 H new ATOM 0 HA THR A 77 11.993 5.820 0.628 1.00 0.00 H new ATOM 0 HB THR A 77 14.117 4.497 1.177 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.093 4.012 3.562 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.912 6.127 2.850 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.952 6.949 1.598 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.235 6.614 3.192 1.00 0.00 H new ATOM 1181 N SER A 78 12.546 3.435 -0.479 1.00 0.00 N ATOM 1182 CA SER A 78 12.334 2.303 -1.364 1.00 0.00 C ATOM 1183 C SER A 78 12.610 0.996 -0.617 1.00 0.00 C ATOM 1184 O SER A 78 13.762 0.671 -0.333 1.00 0.00 O ATOM 1185 CB SER A 78 13.221 2.402 -2.607 1.00 0.00 C ATOM 1186 OG SER A 78 14.597 2.195 -2.299 1.00 0.00 O ATOM 0 H SER A 78 13.415 3.944 -0.639 1.00 0.00 H new ATOM 0 HA SER A 78 11.294 2.314 -1.691 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.899 1.664 -3.342 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.096 3.383 -3.065 1.00 0.00 H new ATOM 0 HG SER A 78 14.675 1.768 -1.421 1.00 0.00 H new ATOM 1192 N GLY A 79 11.534 0.282 -0.321 1.00 0.00 N ATOM 1193 CA GLY A 79 11.646 -0.981 0.387 1.00 0.00 C ATOM 1194 C GLY A 79 10.977 -0.901 1.761 1.00 0.00 C ATOM 1195 O GLY A 79 11.309 -1.670 2.663 1.00 0.00 O ATOM 0 H GLY A 79 10.580 0.555 -0.559 1.00 0.00 H new ATOM 0 HA2 GLY A 79 11.183 -1.774 -0.201 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.697 -1.244 0.505 1.00 0.00 H new ATOM 1199 N ALA A 80 10.047 0.035 1.877 1.00 0.00 N ATOM 1200 CA ALA A 80 9.329 0.226 3.126 1.00 0.00 C ATOM 1201 C ALA A 80 8.156 -0.754 3.188 1.00 0.00 C ATOM 1202 O ALA A 80 7.281 -0.737 2.323 1.00 0.00 O ATOM 1203 CB ALA A 80 8.878 1.683 3.239 1.00 0.00 C ATOM 0 H ALA A 80 9.774 0.670 1.127 1.00 0.00 H new ATOM 0 HA ALA A 80 9.978 0.020 3.977 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.340 1.826 4.176 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.750 2.336 3.219 1.00 0.00 H new ATOM 0 HB3 ALA A 80 8.222 1.927 2.403 1.00 0.00 H new ATOM 1209 N LYS A 81 8.174 -1.585 4.220 1.00 0.00 N ATOM 1210 CA LYS A 81 7.122 -2.570 4.407 1.00 0.00 C ATOM 1211 C LYS A 81 5.813 -1.854 4.745 1.00 0.00 C ATOM 1212 O LYS A 81 5.821 -0.818 5.408 1.00 0.00 O ATOM 1213 CB LYS A 81 7.541 -3.609 5.449 1.00 0.00 C ATOM 1214 CG LYS A 81 6.842 -4.948 5.199 1.00 0.00 C ATOM 1215 CD LYS A 81 7.779 -6.120 5.500 1.00 0.00 C ATOM 1216 CE LYS A 81 7.361 -6.841 6.782 1.00 0.00 C ATOM 1217 NZ LYS A 81 7.450 -8.308 6.604 1.00 0.00 N ATOM 0 H LYS A 81 8.901 -1.596 4.936 1.00 0.00 H new ATOM 0 HA LYS A 81 6.953 -3.126 3.485 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.622 -3.747 5.416 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.296 -3.247 6.448 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.952 -5.020 5.824 1.00 0.00 H new ATOM 0 HG3 LYS A 81 6.509 -5.001 4.162 1.00 0.00 H new ATOM 0 HD2 LYS A 81 7.770 -6.821 4.665 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.802 -5.756 5.600 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.002 -6.529 7.607 1.00 0.00 H new ATOM 0 HE3 LYS A 81 6.341 -6.562 7.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 7.163 -8.783 7.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 6.821 -8.603 5.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.429 -8.571 6.373 1.00 0.00 H new ATOM 1231 N ILE A 82 4.720 -2.435 4.273 1.00 0.00 N ATOM 1232 CA ILE A 82 3.405 -1.865 4.516 1.00 0.00 C ATOM 1233 C ILE A 82 2.423 -2.987 4.857 1.00 0.00 C ATOM 1234 O ILE A 82 2.021 -3.753 3.982 1.00 0.00 O ATOM 1235 CB ILE A 82 2.967 -1.003 3.330 1.00 0.00 C ATOM 1236 CG1 ILE A 82 3.949 0.146 3.095 1.00 0.00 C ATOM 1237 CG2 ILE A 82 1.533 -0.503 3.516 1.00 0.00 C ATOM 1238 CD1 ILE A 82 3.746 1.260 4.125 1.00 0.00 C ATOM 0 H ILE A 82 4.718 -3.294 3.724 1.00 0.00 H new ATOM 0 HA ILE A 82 3.433 -1.194 5.374 1.00 0.00 H new ATOM 0 HB ILE A 82 2.978 -1.624 2.434 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.972 -0.227 3.154 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.813 0.546 2.090 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.246 0.107 2.659 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.858 -1.355 3.597 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.471 0.096 4.425 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.457 2.065 3.936 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.730 1.647 4.047 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.907 0.863 5.127 1.00 0.00 H new ATOM 1250 N MET A 83 2.064 -3.050 6.131 1.00 0.00 N ATOM 1251 CA MET A 83 1.137 -4.066 6.598 1.00 0.00 C ATOM 1252 C MET A 83 -0.311 -3.587 6.471 1.00 0.00 C ATOM 1253 O MET A 83 -0.637 -2.471 6.873 1.00 0.00 O ATOM 1254 CB MET A 83 1.438 -4.399 8.061 1.00 0.00 C ATOM 1255 CG MET A 83 0.821 -5.742 8.456 1.00 0.00 C ATOM 1256 SD MET A 83 2.038 -6.752 9.284 1.00 0.00 S ATOM 1257 CE MET A 83 2.013 -8.193 8.231 1.00 0.00 C ATOM 0 H MET A 83 2.399 -2.413 6.854 1.00 0.00 H new ATOM 0 HA MET A 83 1.261 -4.956 5.981 1.00 0.00 H new ATOM 0 HB2 MET A 83 2.516 -4.431 8.216 1.00 0.00 H new ATOM 0 HB3 MET A 83 1.046 -3.611 8.705 1.00 0.00 H new ATOM 0 HG2 MET A 83 -0.035 -5.580 9.111 1.00 0.00 H new ATOM 0 HG3 MET A 83 0.451 -6.257 7.569 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.742 -9.069 8.820 1.00 0.00 H new ATOM 0 HE2 MET A 83 1.281 -8.050 7.436 1.00 0.00 H new ATOM 0 HE3 MET A 83 3.000 -8.341 7.793 1.00 0.00 H new ATOM 1267 N VAL A 84 -1.141 -4.454 5.911 1.00 0.00 N ATOM 1268 CA VAL A 84 -2.546 -4.134 5.726 1.00 0.00 C ATOM 1269 C VAL A 84 -3.400 -5.137 6.504 1.00 0.00 C ATOM 1270 O VAL A 84 -3.110 -6.332 6.508 1.00 0.00 O ATOM 1271 CB VAL A 84 -2.881 -4.093 4.234 1.00 0.00 C ATOM 1272 CG1 VAL A 84 -4.314 -3.606 4.007 1.00 0.00 C ATOM 1273 CG2 VAL A 84 -1.879 -3.225 3.470 1.00 0.00 C ATOM 0 H VAL A 84 -0.867 -5.379 5.579 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.768 -3.143 6.122 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.807 -5.109 3.846 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.527 -3.586 2.938 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.011 -4.282 4.503 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.427 -2.603 4.418 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.140 -3.213 2.412 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.906 -2.208 3.862 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.876 -3.634 3.591 1.00 0.00 H new ATOM 1283 N VAL A 85 -4.436 -4.613 7.143 1.00 0.00 N ATOM 1284 CA VAL A 85 -5.334 -5.448 7.922 1.00 0.00 C ATOM 1285 C VAL A 85 -6.595 -5.736 7.104 1.00 0.00 C ATOM 1286 O VAL A 85 -6.803 -5.140 6.048 1.00 0.00 O ATOM 1287 CB VAL A 85 -5.633 -4.783 9.267 1.00 0.00 C ATOM 1288 CG1 VAL A 85 -4.381 -4.114 9.837 1.00 0.00 C ATOM 1289 CG2 VAL A 85 -6.781 -3.779 9.139 1.00 0.00 C ATOM 0 H VAL A 85 -4.673 -3.621 7.137 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.866 -6.407 8.146 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.945 -5.561 9.964 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.620 -3.649 10.793 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.603 -4.863 9.983 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.027 -3.353 9.142 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.973 -3.321 10.109 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.510 -3.006 8.420 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.679 -4.294 8.797 1.00 0.00 H new